National Library of Energy BETA

Sample records for byproducts ab source

  1. Use of Xenon Difluoride to Clean Hazardous By-Products in Ion Implanter Source Housings, Turbo Pumps, and Fore-Lines

    SciTech Connect (OSTI)

    Despres, J.; Chambers, B.; Bishop, S.; Kaim, R.; Letaj, S.; Sergi, S.; Sweeney, J.; Tang, Y.; Wilson, S.; Yedave, S.

    2011-01-07

    This paper describes the use of xenon difluoride to clean deposits in the source housing, source turbo pump, and source turbo pump fore-line of ion implanters. Xenon difluoride has previously been shown to be effective in increasing the lifetime of the ion source{sup 1,2} and this paper presents an extension of the technology to other areas within the tool. Process by-products that are deposited in the source housing, turbo pump, and turbo pump fore-line can not only pose productivity issues, in the case of coatings on insulators, but can also be flammable and toxic in the case of deposits formed within the turbo pump and fore-line. The results presented in this paper detail the initial successful examples of using xenon difluoride to clean these deposits.ATMI has shown that xenon difluoride is capable of cleaning an insulator in an ion implanter. Typically during use an insulator will become increasingly coated with deposits that could lead to productivity problems. By introducing xenon difluoride into the source housing the insulator residues were effectively cleaned in-situ, thereby extending the maintenance interval and resulting in significant consumable savings.Similar deposits that form in the turbo pump and fore-line could not only lead to production problems due to turbo pump failure or fore-line build-up, but pose significant health risks during the ex-situ cleaning process. Through internal testing ATMI has shown that xenon difluoride is able to clean phosphorus and germanium deposits located within a turbo pump. Additionally, testing has demonstrated that the turbo pump fore-line can be cleaned in-situ without the need to remove these components, thereby virtually eliminating the possibility of fires. The cleaning reaction progress and by-products were monitored using FTIR spectrometry and thermocouples.In order to efficiently clean the source housing, turbo pump, and turbo pump fore-line xenon difluoride delivery must be optimized. This paper also details a hardware concept that maximizes xenon difluoride delivery and allows the clean to be done in a way that is viable for production ion implanters.

  2. 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.

  3. 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.

  4. Combustion Byproducts Recycling Consortium

    SciTech Connect (OSTI)

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

    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 private-sector 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.

  5. 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.

  6. 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)

  7. Bayer ABS Ltd formerly ABS Industries Ltd | Open Energy Information

    Open Energy Info (EERE)

    (formerly ABS Industries Ltd) Place: Vadodara, Gujarat, India Zip: 335871 Sector: Wind energy Product: Bayer ABS is a plastic, chemical, and pharmaceutical company. Has...

  8. Minesto AB | Open Energy Information

    Open Energy Info (EERE)

    Minesto AB Jump to: navigation, search Name: Minesto AB Region: Sweden Sector: Marine and Hydrokinetic Website: http: This company is listed in the Marine and Hydrokinetic...

  9. ABS Biodiesel | Open Energy Information

    Open Energy Info (EERE)

    Biodiesel Jump to: navigation, search Name: ABS Biodiesel Place: United Kingdom Product: UK-based biodiesel producer developing a plant in Avonmouth, near Bristol. References: ABS...

  10. Omega-AB

    Energy Science and Technology Software Center (OSTI)

    2007-05-01

    A hierarchical, modular modeling environment for hybrid simulations of sequential-modular, systems dynamics, discrete-event, and agent-based paradigms Omega-AB models contain a hierarchically-defined module tree that specifies the execution logic for the simulation, and a multi-network graph that defines the environment within which the simulation occurs. Modules are the fundamental buildinig blocks of an Omega-AB model and can define anything from a basic mathematical operation to a complex behavioral response model. Modules rely on the "plug-in" conceptmore » which allows developers to build independent module libraries that are gathered, linked, and instantiated by the Omega-AB engine at run time. Inter-module communication occurs through two complimentary systems: pull-based "ports" for general computation patterns and push-based "plugs" for event processing. The simulation environment is an abstract graph of nodes and links. Agents (module sub-trees headed up by an Agent module) reside at nodes and relate to their neighbors through typed links. To facilitate the construction and visualization of complex, interacting networks with dramatically different structure, Omega-AB provides a system for organizing the nodes into hierarchica trees that describe "slices" of the overall network.« less

  11. 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.

  12. H. R. 1198: A Bill to amend the Internal Revenue Code of 1986 to restore the application of the credit for producing fuels from a nonconventional source to steam produced from agricultural byproducts, introduced in the House of Representatives, One Hundred Second Congress, First Session, February 28, 1991

    SciTech Connect (OSTI)

    Not Available

    1991-01-01

    The bill would allow a tax credit for steam produced from solid agricultural byproducts (including sugar cane residues, but not including timber byproducts). The bill applies to steam produced which is sold after December 31, 1989, the effective date of this amendment. Steam produced which is used by the taxpayer in his trade or business would be treated as having been sold by the taxpayer to an unrelated person on the date on which it is used.

  13. 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.

  14. Solibro AB | Open Energy Information

    Open Energy Info (EERE)

    Sweden Zip: 751 21 Sector: Solar Product: Develops thin film solar cells using copper indium gallium diselenide (CIGS). References: Solibro AB1 This article is a stub....

  15. Interproject Service AB | Open Energy Information

    Open Energy Info (EERE)

    AB Jump to: navigation, search Name: Interproject Service AB Region: Sweden Sector: Marine and Hydrokinetic Website: www.ips-ab.com This company is listed in the Marine and...

  16. Arontis Solar Concentrator AB | Open Energy Information

    Open Energy Info (EERE)

    Arontis Solar Concentrator AB Jump to: navigation, search Name: Arontis Solar Concentrator AB Place: Harnosand, Sweden Zip: SE-871 31 Product: Developer of a medium-concentrating,...

  17. Effpower AB | Open Energy Information

    Open Energy Info (EERE)

    Zip: SE-422 49 Product: Develops, manufactures and markets cost-competitive bipolar batteries based on lead acid chemistry. References: Effpower AB1 This article is a stub. You...

  18. Sol Voltaics AB | Open Energy Information

    Open Energy Info (EERE)

    Voltaics AB Jump to: navigation, search Name: Sol Voltaics AB Place: Lund, Sweden Zip: 223 70 Sector: Solar Product: QuNano spin-off aimed at developing and commercialising...

  19. 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.

  20. 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.

  1. AB Tehachapi Wind Farm | Open Energy Information

    Open Energy Info (EERE)

    In Service Owner Coram Energy Developer AB Energy Energy Purchaser Southern California Edison Co Location Tehachapi CA Coordinates 35.053289, -118.268631 Show Map Loading...

  2. PV Enterprise Sweden AB | Open Energy Information

    Open Energy Info (EERE)

    Sweden AB Place: Vilshult, Sweden Zip: 290 62 Product: Swedish manufacturer of photovoltaic modules, connection boxes, and installation equipment. Coordinates: 56.355011,...

  3. 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.

  4. Ab Initio Calculations Of Nuclear Reactions And Exotic Nuclei...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Ab Initio Calculations Of Nuclear Reactions And Exotic Nuclei Citation Details In-Document Search Title: Ab Initio Calculations Of Nuclear Reactions And Exotic ...

  5. Network for ab initio Many-body Methods: Development, Education...

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

    Miguel Morales is Prinicipal Investigator on Network for ab initio Many-body Methods: Development, Education and Training. Network for ab initio Many-body Methods: Development,...

  6. PIA - Savannah River Remediation Accreditation Boundary (SRR AB) |

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

    Department of Energy Remediation Accreditation Boundary (SRR AB) PIA - Savannah River Remediation Accreditation Boundary (SRR AB) PIA - Savannah River Remediation Accreditation Boundary (SRR AB) PDF icon PIA - Savannah River Remediation Accreditation Boundary (SRR AB) More Documents & Publications PIA - Savannah River Nuclear Solution IBARS Srs Site Apps. Accreditation Boundary PIA - WEB Physical Security Major Application Occupational Medical Surveillance System (OMSS) PIA, Idaho

  7. Microsoft Word - GLotay_abs

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

    Cyclotron Colloquium, Tuesday, March 2, 2010 at 3:45 pm "Determining the stellar origin of the cosmic γ-ray emitting nucleus 26 Al" Dr. Gavin Lotay University of Edinburgh, Edinburgh, UK Abstract: Radioactive species produced in stellar interiors represent potential sources of cosmic γ rays. During the last decade, a new generation of telescopes has allowed for the observation of several cosmic γ-ray emitters throughout the interstellar medium (ISM), providing a versatile tool for

  8. 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.

  9. Clean coal technology. Coal utilisation by-products

    SciTech Connect (OSTI)

    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.

  10. Geotechnical characterization of several coal combustion by-products

    SciTech Connect (OSTI)

    Zhang, M.; Feng, A.; Deschamps, R.

    1996-11-01

    The generation of coal combustion by-products (CCBPs) by utility companies and private industries is increasing and the trend is expected to continue in the foreseeable future. A large roadway embankment is currently under construction using several CCBPs as structural fill. The project site is located on the Purdue University campus in West Lafayette, Indiana. A paved road will be constructed on the crest of this embankment to extend Russell Street, providing convenient access to the southern expansion of Purdue University`s campus. The embankment is approximately 700 feet in length, with a maximum crest height of about 40 feet. The crest will be about 50 feet wide and a maximum base width of 250 feet. A comprehensive geotechnical laboratory testing and field monitoring program is being implemented to evaluate the physical and mechanical characteristics of various CCBPs and to predict the performance of the embankment during and after construction. Preliminary geotechnical laboratory testing results are presented in this paper.

  11. Wastes and by-products - alternatives for agricultural use

    SciTech Connect (OSTI)

    Boles, J.L.; Craft, D.J.; Parker, B.R.

    1994-10-01

    Top address a growing national problem with generation of wastes and by-products, TVA has been involved for several years with developing and commercializing environmentally responsible practices for eliminating, minimizing, or utilizing various wastes/by-products. In many cases, reducing waste generation is impractical, but the wastes/by-products can be converted into other environmentally sound products. In some instances, conversion of safe, value-added agricultural products in the best or only practical alternative. TVA is currently involved with a diversity of projects converting wastes/by-products into safe, economical, and agriculturally beneficial products. Environmental improvement projects have involved poultry litter, cellulosic wastes, used battery acid, ammonium sulfate fines, lead smelting effluents, deep-welled sulfuric acid/ammonium bisulfate solutions, wood ash, waste magnesium ammonium sulfate slurry from recording tape production, and ammunition plant waste sodium nitrate/ammonium nitrate streams.

  12. Ab-initio Reaction Calculations for Carbon-12 (ESP Technical...

    Office of Scientific and Technical Information (OSTI)

    Ab-initio Reaction Calculations for Carbon-12 (ESP Technical Report): ALCF-2 Early Science Program Technical Report Citation Details In-Document Search Title: Ab-initio Reaction ...

  13. Gallivare PhotoVoltaic AB | Open Energy Information

    Open Energy Info (EERE)

    Gallivare PhotoVoltaic AB Jump to: navigation, search Name: Gallivare PhotoVoltaic AB Place: Gllivare, Sweden Zip: 982 28 Product: Swedish manufacturer of PV modules at its...

  14. Hydrogen Funding and the AB 118 Investment Plan | Department...

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

    Funding and the AB 118 Investment Plan Hydrogen Funding and the AB 118 Investment Plan Presentation at the Renewable Hydrogen Worshop, Nov. 16, 2009, in Palm Springs, CA PDF icon ...

  15. 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.

  16. 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.

  17. Landslide remediation on Ohio State Route 83 using clean coal combustion by-products

    SciTech Connect (OSTI)

    Payette, R.; Chen, Xi You; Wolfe, W.; Beeghly, J.

    1995-12-31

    The disposal of flue gas desulfurization (FGD) by-products has become a major concern as issues of emission cleansing and landfill costs continue to rise. Laboratory tests conducted at the Ohio State University have shown that dry FGD by-products possess certain engineering properties that have proven desirable in a number of construction uses. As a follow on to the laboratory program, a field investigation into engineering uses of dry FGD wastes was initiated. In the present work, an FGD by-product was used to reconstruct the failed portion of a highway embankment. The construction process and the stability of the repaired embankment are examined.

  18. 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.

  19. 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.

  20. DOE Seeks Your Novel Ideas for Recovery of Rare Earth Elements from Coal and Coal Byproducts

    Broader source: Energy.gov [DOE]

    Do you have innovative ideas about technologies and concepts for the recovery of rare earth elements? Are these ideas applicable to recovery from coal and coal byproducts? If so, the Department of Energy needs your input.

  1. 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.

  2. Management of by-products from fossil-fired power plants

    SciTech Connect (OSTI)

    Kofod, J.

    1998-07-01

    The world production of by-products from power plants is in excess of 500 Mt/year. Most of it consists of coal fly ash and bottom ash, but an increasing share is made up of by-products from flue gas desulfurization processes. In some countries less than 10% of the by-products are utilized, whereas the utilization ratio is as high as 90% in others. In the EU about half of the by-products is utilized, but according to the EU's policy the degree of utilization should be increased. Coal fly ash can be used in concrete pursuant to the provisions of the European standard EN 450, Fly Ash for Concrete. In addition quality fly ash can be used in the production of cement and gas concrete and in the building industry. Road construction and soil amendment can also make use of this material. Gypsum produced as a result of the flue gas desulfurization process can be used as wall boards, in the building industry and in the production of cement. Also other by-products from the flue gas desulfurization processes can be used for industrial purposes. By-products where utilization is no option will be disposed of. According to the EU's environmental legislation most of the by-products from the power plants are categorized as non-hazardous waste. This papers discusses how to design a landfill deposit for power plant residues in accordance with applicable EU-directives. However, as can be seen from the conclusion it will become increasingly difficult in the future to deposit these residues. This will urge power producers to cooperate with relevant industries to ensure utilization of a larger part of the by-products and to create solutions that will be profitable to both parties.

  3. Land application uses for dry flue gas desulfurization by-products: Phase 3

    SciTech Connect (OSTI)

    Dick, W.; Bigham, J.; Forster, R.; Hitzhusen, F.; Lal, R.; Stehouwer, R.; Traina, S.; Wolfe, W.; Haefner, R.; Rowe, G.

    1999-01-31

    New flue gas desulfurization (FGD) scrubbing technologies create a dry, solid by-product material consisting of excess sorbent, reaction product that contains sulfate and sulfite, and coal fly ash. Generally, dry FGD by-products are treated as solid wastes and disposed in landfills. However, landfill sites are becoming scarce and tipping fees are constantly increasing. Provided the environmental impacts are socially and scientifically acceptable, beneficial uses via recycling can provide economic benefits to both the producer and the end user of the FGD. A study titled ''Land Application Uses for Dry Flue Gas Desulfurization By-Products'' was initiated in December, 1990 to develop and demonstrate large volume, beneficial uses of FGD by-products. Phase 1 and Phase 2 reports have been published by the Electric Power Research Institute (EPRI), Palo Alto, CA. Phase 3 objectives were to demonstrate, using field studies, the beneficial uses of FGD by-products (1) as an amendment material on agricultural lands and on abandoned surface coal mine land, (2) as an engineering material for soil stabilization and raid repair, and (3) to assess the environmental and economic impacts of such beneficial uses. Application of dry FGD by-product to three soils in place of agricultural limestone increased alfalfa (Medicago sativa L.) and corn (Zea may L.) yields. No detrimental effects on soil and plant quality were observed.

  4. Ab initio multireference in-medium similarity renormalization...

    Office of Scientific and Technical Information (OSTI)

    group calculations of even calcium and nickel isotopes Citation Details In-Document Search Title: Ab initio multireference in-medium similarity renormalization group ...

  5. Ab Initio Calculations of Light-Ion Fusion Reactions (Conference...

    Office of Scientific and Technical Information (OSTI)

    Ab Initio Calculations of Light-Ion Fusion Reactions Citation Details In-Document Search ... Visit OSTI to utilize additional information resources in energy science and technology. A ...

  6. Ab initio thermodynamic approach to identify mixed solid sorbents...

    Office of Scientific and Technical Information (OSTI)

    for CO2 capture technology Citation Details In-Document Search Title: Ab initio thermodynamic approach to identify mixed solid sorbents for CO2 capture technology Because the ...

  7. 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.

  8. 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 elementsincluding alkaline earth elements, sodium, chromium, copper, manganese, lead, titanium, and zincduring 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 CUBwater interaction.

  9. Advanced SO/sub 2/ control by-product utilization laboratory evaluation: Final report

    SciTech Connect (OSTI)

    Not Available

    1988-09-01

    This report presents the results of an investigation into the utilization potential of by-products from the following advanced SO/sub 2/ control processes: Atmospheric Fluidized Bed Combustion; Calcium Spray Drying; Limestone Furnace Injection; Sodium Sorbent Injection; and Calcium Sorbent Injection. Utilization applications identified as potentially feasible (from both technical and market perspectives) in the preliminary investigation (EPRI CS-5269) were evaluated through small-scale laboratory testing. The applications considered were primarily low to medium technology process and medium to high volume use applications. The laboratory test results were evaluated in concert with by-product physical, chemical and extract characteristics (developed during EPRI Research Project 2708-1) and a market assessment. Then, an economic evaluation was performed for each utilization application based upon a typical or hypothetical by-product marketing situation in which an advanced SO/sub 2/ control by-product could be substituted for a competing material on a local project or in a local product. Finally, based on the major factors considered in this project (laboratory characterization, technical feasibility evaluation, and economic and market assessments), the utilization potential for each application considered was rated as high, medium or low, and future research needs were identified. The following utilization applications were found to have a high potential for the majority of the calcium-based advanced SO/sub 2/ control by-products: road base, soil and sludge stabilization and grout applications. 76 refs., 18 figs., 70 tabs.

  10. 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.

  11. ABS_PDv14.0 beta

    Energy Science and Technology Software Center (OSTI)

    2008-07-30

    ABS_PD stands for Adaptive Background Suppression and Peak Detection algorithm. This algorithm uses an iterative process to simultaneously estimate the background and identify peaks in signals where the bakground is slowly varying relative to the peaks to be detected. This is sone on an automated manner. The algorithm can be applied to many physical processes where the desired signal is superimposed on a background. The main advantage of this algorithm is that the background canmore » be variable and doesn't have to be known. All that is required is that a set of basis function,s capa ble of representing the background, needs to be defined. Depending on the signals to be processed, the basis functions can be as simple as low order polynomials. The current algorithm has polynomials built-in and allows for additional basis functions to be defined by the user. An additional advantage is that the algorithm does not use any derivatives in detection of peaks and thus allows for analysis of noisy data. The noise level in the data is automatically taken into account when setting thresholds for peak detection.« less

  12. 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.

  13. Electric Dipole Transitions Within The Ab initio No-Core Shell...

    Office of Scientific and Technical Information (OSTI)

    Electric Dipole Transitions Within The Ab initio No-Core Shell Model With Continuum Citation Details In-Document Search Title: Electric Dipole Transitions Within The Ab initio...

  14. Compact ion source neutron generator

    DOE Patents [OSTI]

    Schenkel, Thomas; Persaud, Arun; Kapadia, Rehan; Javey, Ali; Chang-Hasnain, Constance; Rangelow, Ivo; Kwan, Joe

    2015-10-13

    A neutron generator includes a conductive substrate comprising a plurality of conductive nanostructures with free-standing tips and a source of an atomic species to introduce the atomic species in proximity to the free-standing tips. A target placed apart from the substrate is voltage biased relative to the substrate to ionize and accelerate the ionized atomic species toward the target. The target includes an element capable of a nuclear fusion reaction with the ionized atomic species to produce a one or more neutrons as a reaction by-product.

  15. Ab-initio Reaction Calculations for Carbon-12 (ESP Technical...

    Office of Scientific and Technical Information (OSTI)

    for Carbon-12 (ESP Technical Report): ALCF-2 Early Science Program Technical Report Citation Details In-Document Search Title: Ab-initio Reaction Calculations for Carbon-12 (ESP ...

  16. AB INITIO PHASE STABILITY AT HIGH TEMPERATURES AND PRESSURES...

    Office of Scientific and Technical Information (OSTI)

    AND PRESSURES IN THE V-Cr SYSTEM Citation Details In-Document Search Title: AB INITIO PHASE STABILITY AT HIGH TEMPERATURES AND PRESSURES IN THE V-Cr SYSTEM Authors: Landa, A ...

  17. AB INITIO PHASE STABILITY AT HIGH TEMPERATURES AND PRESSURES...

    Office of Scientific and Technical Information (OSTI)

    AND PRESSURES IN THE V-Cr SYSTEM Citation Details In-Document Search Title: AB INITIO PHASE STABILITY AT HIGH TEMPERATURES AND PRESSURES IN THE V-Cr SYSTEM You are ...

  18. EXPLORING INTERMEDIATE (5-40 AU) SCALES AROUND AB AURIGAE WITH THE PALOMAR FIBER NULLER

    SciTech Connect (OSTI)

    Khn, J.; Mennesson, B.; Liewer, K.; Martin, S.; Loya, F.; Serabyn, E.; Millan-gabet, R.

    2015-02-10

    We report on recent K{sub s} -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{sup 4} inside a field of view extending from 35 to 275 mas (5-40 AU 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 azimuthally extended source, possibly a halo, or one or more rings of dust, accounting for several percent of the total K{sub s}-band flux. The modest azimuthal variation may be explained by some skewness or anisotropy of the spatially extended source, e.g., an elliptical or spiral geometry, or clumping, but it could also be due to the presence of a point source located at a separation of ?120 mas (17 AU) with ?6 10{sup 3} of the stellar flux. We combine our results with previous Infrared Optical Telescope Array observations of AB Aur at H band, and demonstrate that a dust ring located at ?30 mas (4.3 AU) represents the best-fitting model to explain both sets of visibilities. We are also able to test a few previously hypothesized models of the incoherent component evident at longer interferometric baselines.

  19. 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*.

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

    SciTech Connect (OSTI)

    Matthew Neurock

    2005-06-13

    As petroleum prices continue to rise and the United States seeks to reduce its dependency on foreign oil, there is a renewed interest in the research and development of more efficient and alternative energy sources, such as fuel cells. One approach is to utilize processes that can produce long-chain hydrocarbons from other sources. One such reaction is Fischer-Tropsch synthesis. Fischer-Tropsch synthesis is a process by which syngas (CO and H{sub 2}) is converted to higher molecular weight hydrocarbons. The reaction involves a complex set of bond-breaking and bond-making reactions, such as CO and H{sub 2} activation, hydrocarbon hydrogenation reactions, and hydrocarbon coupling reactions. This report details our initial construction of an ab initio based kinetic Monte Carlo code that can be used to begin to simulate Fischer-Tropsch synthesis over model Co(0001) surfaces. The code is based on a stochastic kinetic formalism that allows us to explicitly track the transformation of all reactants, intermediates and products. The intrinsic kinetics for the simulations were derived from the ab initio results that we reported in previous year summaries.

  1. 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

  2. Land application uses of dry FGD by-products. [Quarterly report, January 1, 1994--March 31, 1994

    SciTech Connect (OSTI)

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

    1994-08-01

    This report contains three separate monthly reports on the progress to use flue gas desulfurization by-products for the land reclamation of an abandoned mine site in Ohio. Data are included on the chemical composition of the residues, the cost of the project, as well as scheduling difficulties and efforts to allay the fears of public officials as to the safety of the project. The use of by-products to repair a landslide on State Route 541 is briefly discussed.

  3. Docket No. EERE- 2008-BT-STD-0005, RIN 1904-AB57 Ex partecommunicatio...

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

    RIN 1904-AB57 Ex parte communication DOE Meeting of June 13, 2012 Docket No. EERE- 2008-BT-STD-0005, RIN 1904-AB57 Ex parte communication DOE Meeting of June 13, 2012 ...

  4. Electric Dipole Transitions Within The Ab initio No-Core Shell...

    Office of Scientific and Technical Information (OSTI)

    Within The Ab initio No-Core Shell Model With Continuum Citation Details In-Document Search Title: Electric Dipole Transitions Within The Ab initio No-Core Shell Model With ...

  5. Landslide remediation on Ohio State Route 83 using clean coal combustion by-products

    SciTech Connect (OSTI)

    Payette, R.; Chen, X.Y.; Wolfe, W.; Beeghly, J.

    1995-12-31

    In the present work, a flue gas desulfurization (FGD) by-product was used to reconstruct the failed portion of a highway embankment. The construction process and the stability of the repaired embankment are examined. State Route 83 in Cumberland, Ohio has been damaged by a slow moving slide which has forced the Ohio Department of Transportation to repair the roadway several times. In the most recent repair FGD by-products obtained from American Electric Power`s Tidd PFBC plant were used to construct a wall through the failure plane to prevent further slippage. In order to evaluate the utility of using coal combustion by-products in this type of highway project the site was divided into three test sections. In the first repair section, natural soil removed form the slide area was recompacted and replaced according to standard ODOT construction practices. In the second section the natural soil was field mixed with the Tidd PFBC ash in approximately equal proportions. The third section was all Tidd ash. The three test sections were capped by a layer of compacted Tidd ash or crushed stone to provide a wearing surface to allow ODOT to open the roadway before applying a permanent asphalt surface. Measurement of slope movement as well as water levels and quality have begun at the site in order to evaluate long term project performance. The completion of this project should lead to increased acceptance of FGD materials in construction projects. Monetary savings will be realized in avoiding some of the disposal costs for the waste, as well as in the reduced reliance on alternative engineering materials.

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

    SciTech Connect (OSTI)

    Egorov, V.N.; Anikin, G.J.; Gross, M.

    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.

  7. 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.

  8. 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.

  9. 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.

  10. Management of dry flue gas desulfurization by-products in underground mines. Quarterly report, August 1--October 31, 1997

    SciTech Connect (OSTI)

    Chugh, Y.P.

    1997-12-31

    The objective of this project was to develop and demonstrate two technologies for the placement of coal combustion by-products in abandoned underground coal mines, and to assess the environmental impact of these technologies for the management of CCB materials. The two technologies for the underground placement that were to be developed and demonstrated are: (1) pneumatic placement using virtually dry CCB products, and (2) hydraulic placement using a paste mixture of CCB products with about 70% solids. The period covered by this report is the second quarter of Phase 3 of the overall program. During this period over 8,000 tons of CCB mixtures was injected using the hydraulic paste technology. This amount of material virtually filled the underground opening around the injection well, and was deemed sufficient to demonstrate fully the hydraulic injection technology. By the end of this quarter about 2,000 tons of fly ash had been placed underground using the pneumatic placement technology. While the rate of injection of about 50 tons per hour met design criteria, problems were experienced in the delivery of fly ash to the pneumatic demonstration site. The source of the fly ash, the Archer Daniels Midland Company power plant at Decatur, Illinois is some distance from the demonstration site, and often sufficient tanker trucks are not available to haul enough fly ash to fully load the injection equipment. Further, on some occasions fly ash from the plant was not available. The injection well was plugged three times during the demonstration. This typically occurred due to cementation of the FBC ash in contact with water. After considerable deliberations and in consultation with the technical project officer, it was decided to stop further injection of CCB`s underground using the developed pneumatic technology.

  11. Ab Initio Calculations of Even Oxygen Isotopes with Chiral

    Office of Scientific and Technical Information (OSTI)

    Two-Plus-Three-Nucleon Interactions (Journal Article) | SciTech Connect Initio Calculations of Even Oxygen Isotopes with Chiral Two-Plus-Three-Nucleon Interactions Citation Details In-Document Search Title: Ab Initio Calculations of Even Oxygen Isotopes with Chiral Two-Plus-Three-Nucleon Interactions Authors: Hergert, H. ; Binder, S. ; Calci, A. ; Langhammer, J. ; Roth, R. Publication Date: 2013-06-10 OSTI Identifier: 1102833 Type: Publisher's Accepted Manuscript Journal Name: Physical

  12. Ab initio multireference in-medium similarity renormalization group

    Office of Scientific and Technical Information (OSTI)

    calculations of even calcium and nickel isotopes (Journal Article) | SciTech Connect initio multireference in-medium similarity renormalization group calculations of even calcium and nickel isotopes Citation Details In-Document Search Title: Ab initio multireference in-medium similarity renormalization group calculations of even calcium and nickel isotopes Authors: Hergert, H. ; Bogner, S. K. ; Morris, T. D. ; Binder, S. ; Calci, A. ; Langhammer, J. ; Roth, R. Publication Date: 2014-10-23

  13. 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).

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

    SciTech Connect (OSTI)

    Diemer, P.E.; Seyfferth, W.

    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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. Kinetic Model for the Radical Degradation of Tri-Halonitromethane Disinfection Byproducts in Water

    SciTech Connect (OSTI)

    Stephen P. Mezyk; Bruce J. Mincher; William J. Cooper; S. Kirkham Cole; Robert V. Fox; Pieror R. Gardinali

    2012-10-01

    The halonitromethanes (HNMs) are byproducts of the ozonation and chlorine/chloramine treatment of drinking waters. Although typically occurring at low concentrations HNMs have high cytotoxicity and mutagenicity, and may therefore represent a significant human health hazard. In this study, we have investigated the radical based mineralization of fully-halogenated HNMs in water using the congeners bromodichloronitromethane and chlorodibromonitromethane. We have combined absolute reaction rate constants for their reactions with the hydroxyl radical and the hydrated electron as measured by electron pulse radiolysis and analytical measurements of stable product concentrations obtained by 60Co steady-state radiolysis with a kinetic computer model that includes water radiolysis reactions and halide/nitrogen oxide radical chemistry to fully elucidate the reaction pathways of these HNMs. These results are compared to our previous similar study of the fully chlorinated HNM chloropicrin. The full optimized computer model, suitable for predicting the behavior of this class of compounds in irradiated drinking water is provided.

  20. Ab initio Study of He Stability in hcp-Ti

    SciTech Connect (OSTI)

    Dai, Yunya; Yang, Li; Peng, SM; Long, XG; Gao, Fei; Zu, Xiaotao T.

    2010-12-20

    The stability of He in hcp-Ti was studied using ab initio method based on density functional theory. The results indicate that a single He atom prefers to occupy the tetrahedral site rather than the octahedral site. The interaction of He defects with Ti atoms has been used to explain the relative stabilities of He point defects in hcp-Ti. The relative stability of He defects in hcp-Ti is useful for He clustering and bubble nucleation in metal tritides, which provides the basis for development of improved atomistic models.

  1. Ab-initio study of transition metal hydrides

    SciTech Connect (OSTI)

    Sharma, Ramesh; Shukla, Seema Dwivedi, Shalini Sharma, Yamini

    2014-04-24

    We have performed ab initio self consistent calculations based on Full potential linearized augmented plane wave (FP-LAPW) method to investigate the optical and thermal properties of yttrium hydrides. From the band structure and density of states, the optical absorption spectra and specific heats have been calculated. The band structure of Yttrium metal changes dramatically due to hybridization of Y sp orbitals with H s orbitals and there is a net charge transfer from metal to hydrogen site. The electrical resistivity and specific heats of yttrium hydrides are lowered but the thermal conductivity is slightly enhanced due to increase in scattering from hydrogen sites.

  2. 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.

  3. 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.

  4. 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.

  5. Three-cluster dynamics within an ab initio framework

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

    Quaglioni, Sofia; Romero-Redondo, Carolina; Navratil, Petr

    2013-09-26

    In this study, we introduce a fully antisymmetrized treatment of three-cluster dynamics within the ab initio framework of the no-core shell model/resonating-group method. Energy-independent nonlocal interactions among the three nuclear fragments are obtained from realistic nucleon-nucleon interactions and consistent ab initio many-body wave functions of the clusters. The three-cluster Schrödinger equation is solved with bound-state boundary conditions by means of the hyperspherical-harmonic method on a Lagrange mesh. We discuss the formalism in detail and give algebraic expressions for systems of two single nucleons plus a nucleus. Using a soft similarity-renormalization-group evolved chiral nucleon-nucleon potential, we apply the method to amore » 4He+n+n description of 6He and compare the results to experiment and to a six-body diagonalization of the Hamiltonian performed within the harmonic-oscillator expansions of the no-core shell model. Differences between the two calculations provide a measure of core (4He) polarization effects.« less

  6. A KINE-CHEMICAL INVESTIGATION OF THE AB DOR MOVING GROUP 'STREAM' (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect A KINE-CHEMICAL INVESTIGATION OF THE AB DOR MOVING GROUP 'STREAM' Citation Details In-Document Search Title: A KINE-CHEMICAL INVESTIGATION OF THE AB DOR MOVING GROUP 'STREAM' 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

  7. Ab Initio Rational Design of New MOFs for Separations and Flue Gas Capture

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

    | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Ab Initio Rational Design of New MOFs for Separations and Flue Gas Capture

  8. Ab initio Carbon Capture in Open-Site Metal Organic Frameworks | Center for

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

    Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Ab initio Carbon Capture in Open-Site Metal Organic Frameworks

  9. Ab initio study of helium behavior in titanium tritides

    SciTech Connect (OSTI)

    Liang, J. H.; Dai, Yunya; Yang, Li; Peng, SM; Fan, K. M.; Long, XG; Zhou, X. S.; Zu, Xiaotao; Gao, Fei

    2013-03-01

    Ab initio calculations based on density functional theory have been performed to investigate the relative stability of titanium tritides and the helium behavior in stable titanium tritides. The results show that the β-phase TiT1.5 without two tritium along the [100] direction (TiT1.5[100]) is more stable than other possible structures. The stability of titanium tritides decrease with the increased generation of helium in TiT1.5[100]. In addition, helium generated by tritium decay prefers locating at a tetrahedral site, and favorably migrates between two neighbor vacant tetrahedral sites through an intermediate octahedral site in titanium tritides, with a migration energy of 0.23 eV. Furthermore, helium is easily accumulated on a (100) plane in β-phase TiT1.5[100].

  10. Non-stoichiometric AB5 alloys for metal hydride electrodes

    DOE Patents [OSTI]

    Reilly, James J.; Adzic, Gordana D.; Johnson, John R.; Vogt, Thomas; McBreen, James

    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.

  11. Bedrock Groundwaters -- Upgradient -- 92-06a,b

    Office of Legacy Management (LM)

    09 This page intentionally left blank Bedrock Groundwaters -- Upgradient -- 92-06 a,b ____________________________________________ Analyte Unit 10/30/00 10/10/01 ____________________________________________ Field Measurements Alkalinity mg/L 189 182 Conductivity c μmhos/cm 560 560 DO c mg/L 1.4 -- ORP c mV -51 -46 pH c s.u. 7.24 7.52 Temperature c C 11.3 11.6 Turbidity c NTU 0.84 4.3 Common Ions Ca mg/L 72.8 69.3 Chloride mg/L 2.15 2.44 Fluoride μg/L 124 242 Hardness mg/L 225 214 K mg/L 1.98

  12. Ion source

    DOE Patents [OSTI]

    Leung, Ka-Ngo; Ehlers, Kenneth W.

    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.

  13. 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.

  14. Chloride-free processing of aluminum scrap to recover by-product materials

    SciTech Connect (OSTI)

    Riley, W.D.; Jong, B.W.

    1995-12-31

    The US Bureau of Mines has developed technology to recover by-product materials from aluminum scrap using engineered scavenger compounds (ESC). ESCs are structural oxides with a channel or tunnel structure that allows them to hold ions of a specific sizes and charges. The scavenging reaction is easily reversible allowing the ESC to be recharged for continued use and the ion is recovered as an electrodeposit. Key features of this novel technology are: (a) ESC systems are designed to have a high degree of selectivity for a desired ionic species. (b) The recovered material requires little or no additional reprocessing prior to reuse. Two current uses for the ESC technology that are described in this paper are the removal and recycle of lithium (Li) from lithium aluminum (Li-Al) alloys; and, using ESCs as a replacement for the conventional demaging (magnesium removal) technology used by the secondary casting industry. Research indicates that the ESC technology proposed for both these applications has either distinct economic and/or environmental advantages over previously employed methods of recovering metal values from aluminum scrap.

  15. 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.

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

    DOE Patents [OSTI]

    Bartley, Bradley E.; Blass, James R.; Gibson, Dennis H.

    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.

  17. 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.

  18. Ab initio description of the exotic unbound 7He nucleus

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

    Baroni, Simone; Navratil, Petr; Quaglioni, Sofia

    2013-01-11

    In this study, the neutron-rich unbound 7He nucleus has been the subject of many experimental investigations. While the ground-state 3/2– resonance is well established, there is a controversy concerning the excited 1/2– resonance reported in some experiments as low lying and narrow (ER~1 MeV, Γ≤1 MeV) while in others as very broad and located at a higher energy. This issue cannot be addressed by ab initio theoretical calculations based on traditional bound-state methods. We introduce a new unified approach to nuclear bound and continuum states based on the coupling of the no-core shell model, a bound-state technique, with the no-coremore » shell model combined with the resonating-group method, a nuclear scattering technique. Our calculations describe the ground-state resonance in agreement with experiment and, at the same time, predict a broad 1/2– resonance above 2 MeV.« less

  19. ION SOURCE

    DOE Patents [OSTI]

    Leland, W.T.

    1960-01-01

    The ion source described essentially eliminater the problem of deposits of nonconducting materials forming on parts of the ion source by certain corrosive gases. This problem is met by removing both filament and trap from the ion chamber, spacing them apart and outside the chamber end walls, placing a focusing cylinder about the filament tip to form a thin collimated electron stream, aligning the cylinder, slits in the walls, and trap so that the electron stream does not bombard any part in the source, and heating the trap, which is bombarded by electrons, to a temperature hotter than that in the ion chamber, so that the tendency to build up a deposit caused by electron bombardment is offset by the extra heating supplied only to the trap.

  20. Neutron source

    DOE Patents [OSTI]

    Cason, J.L. Jr.; Shaw, C.B.

    1975-10-21

    A neutron source which is particularly useful for neutron radiography consists of a vessel containing a moderating media of relatively low moderating ratio, a flux trap including a moderating media of relatively high moderating ratio at the center of the vessel, a shell of depleted uranium dioxide surrounding the moderating media of relatively high moderating ratio, a plurality of guide tubes each containing a movable source of neutrons surrounding the flux trap, a neutron shield surrounding one part of each guide tube, and at least one collimator extending from the flux trap to the exterior of the neutron source. The shell of depleted uranium dioxide has a window provided with depleted uranium dioxide shutters for each collimator. Reflectors are provided above and below the flux trap and on the guide tubes away from the flux trap.

  1. NEUTRON SOURCE

    DOE Patents [OSTI]

    Reardon, W.A.; Lennox, D.H.; Nobles, R.G.

    1959-01-13

    A neutron source of the antimony--beryllium type is presented. The source is comprised of a solid mass of beryllium having a cylindrical recess extending therein and a cylinder containing antimony-124 slidably disposed within the cylindrical recess. The antimony cylinder is encased in aluminum. A berylliunn plug is removably inserted in the open end of the cylindrical recess to completely enclose the antimony cylinder in bsryllium. The plug and antimony cylinder are each provided with a stud on their upper ends to facilitate handling remotely.

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

    SciTech Connect (OSTI)

    Shporer, Avi; O'Rourke, Joseph G.; Knutson, Heather A.; Szab, 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.

  3. 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.

  4. Ab-initio Carbon Capture in Open-Site Metal Organic Frameworks...

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

    Ab-initio Carbon Capture in Open-Site Metal Organic Frameworks Previous Next List A. Dzubak, L.-C. Lin, J. Kim, J. A. Swisher, R. Poloni, S. N. Maximoff, B. Smit, and L. Gagliardi,...

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

    Office of Scientific and Technical Information (OSTI)

    description of nuclear three-cluster systems Citation Details In-Document Search Title: Advances in the ab initio description of nuclear three-cluster systems Authors: Redondo, C R ...

  6. 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.

  7. Electric Dipole Transitions Within The Ab initio No-Core Shell Model With

    Office of Scientific and Technical Information (OSTI)

    Continuum (Technical Report) | SciTech Connect Technical Report: Electric Dipole Transitions Within The Ab initio No-Core Shell Model With Continuum Citation Details In-Document Search Title: Electric Dipole Transitions Within The Ab initio No-Core Shell Model With Continuum Authors: Quaglioni, S ; Baroni, S ; Navratil, P Publication Date: 2012-10-01 OSTI Identifier: 1053666 Report Number(s): LLNL-TR-588973 DOE Contract Number: W-7405-ENG-48 Resource Type: Technical Report Research Org:

  8. Ab Initio Calculations of Light-Ion Fusion Reactions (Conference) | SciTech

    Office of Scientific and Technical Information (OSTI)

    Connect Ab Initio Calculations of Light-Ion Fusion Reactions Citation Details In-Document Search Title: Ab Initio Calculations of Light-Ion Fusion Reactions Authors: Hupin, G ; Quaglioni, S ; Navratil, P Publication Date: 2012-09-11 OSTI Identifier: 1248279 Report Number(s): LLNL-PROC-580635 DOE Contract Number: AC52-07NA27344 Resource Type: Conference Resource Relation: Conference: Presented at: Nuclear Structure and Dynamics II, Opatija, Croatia, Jul 09 - Jul 13, 2012

  9. Ab initio calculations of light-ion fusion reactions (Journal Article) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Journal Article: Ab initio calculations of light-ion fusion reactions Citation Details In-Document Search Title: Ab initio calculations of light-ion fusion reactions 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

  10. Ab initio study of neutron drops with chiral Hamiltonians (Journal Article)

    Office of Scientific and Technical Information (OSTI)

    | SciTech Connect Ab initio study of neutron drops with chiral Hamiltonians Citation Details In-Document Search Title: Ab initio study of neutron drops with chiral Hamiltonians Authors: Potter, H. D. ; Fischer, S. ; Maris, P. ; Vary, J. P. ; Binder, S. ; Calci, A. ; Langhammer, J. ; Roth, R. Publication Date: 2014-12-01 OSTI Identifier: 1197766 Grant/Contract Number: DESC0008485; FG02-87ER40371 Type: Published Article Journal Name: Physics Letters. Section B Additional Journal Information:

  11. Ab initio thermodynamic approach to identify mixed solid sorbents for CO2

    Office of Scientific and Technical Information (OSTI)

    capture technology (Journal Article) | SciTech Connect Journal Article: Ab initio thermodynamic approach to identify mixed solid sorbents for CO2 capture technology Citation Details In-Document Search Title: Ab initio thermodynamic approach to identify mixed solid sorbents for CO2 capture technology Because the current technologies for capturing CO2 are still too energy intensive, new materials must be developed that can capture CO2 reversibly with acceptable energy costs. At a given CO2

  12. Ab-initio Reaction Calculations for Carbon-12 (ESP Technical Report):

    Office of Scientific and Technical Information (OSTI)

    ALCF-2 Early Science Program Technical Report (Technical Report) | SciTech Connect Ab-initio Reaction Calculations for Carbon-12 (ESP Technical Report): ALCF-2 Early Science Program Technical Report Citation Details In-Document Search Title: Ab-initio Reaction Calculations for Carbon-12 (ESP Technical Report): ALCF-2 Early Science Program Technical Report Authors: Lovato, A. ; Pieper, S.C. [1] ; PHY) [2] + Show Author Affiliations (LCF) ( Publication Date: 2013-05-13 OSTI Identifier: 1079770

  13. ION SOURCE

    DOE Patents [OSTI]

    Brobeck, W.M.

    1959-04-14

    This patent deals with calutrons and more particularly to an arrangement therein whereby charged bottles in a calutron source unit may be replaced without admitting atmospheric air to the calutron vacuum chamber. As described, an ion unit is disposed within a vacuum tank and has a reservoir open toward a wall of the tank. A spike projects from thc source into the reservoir. When a charge bottle is placed in the reservoir, the spike breaks a frangible seal on the bottle. After the contents of the bottle are expended the bottle may be withdrawn and replaced with another charge bottle by a varuum lock arrangement in conjunction with an arm for manipulating the bottle.

  14. ION SOURCE

    DOE Patents [OSTI]

    Bell, W.A. Jr.; Love, L.O.; Prater, W.K.

    1958-01-28

    An ion source is presented capable of producing ions of elements which vaporize only at exceedingly high temperatures, i.e.,--1500 degrees to 3000 deg C. The ion source utilizes beams of electrons focused into a first chamber housing the material to be ionized to heat the material and thereby cause it to vaporize. An adjacent second chamber receives the vaporized material through an interconnecting passage, and ionization of the vaporized material occurs in this chamber. The ionization action is produced by an arc discharge sustained between a second clectron emitting filament and the walls of the chamber which are at different potentials. The resultant ionized material egresses from a passageway in the second chamber. Using this device, materials which in the past could not be processed in mass spectometers may be satisfactorily ionized for such applications.

  15. 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.

  16. 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.

  17. Radiation source

    DOE Patents [OSTI]

    Thode, Lester E.

    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.

  18. 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.

  19. 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.

  20. Management of dry flue gas desulfurization by-products in underground mines. Quarterly report, October 1--December 31, 1995

    SciTech Connect (OSTI)

    1997-05-01

    On September 30, 1993, the U.S. Department of Energy - Morgantown Energy Technology Center (DOE-METC) and Southern Illinois University at Carbondale (SITJC) entered into a cooperative research agreement entitled {open_quotes}Management of Dry Flue Gas Desulfurization By-Products in Underground Mines{close_quotes} (DE-FC21-93MC-30252). Under the agreement SIUC will develop and demonstrate two technologies for the placement of coal combustion by-products in abandoned underground coal mine workings, and assess the environmental impact of such underground placements. This report discusses the technical progress achieved during the period October 1 - December 31, 1995. Rapid Aging Test columns were placed in operation during the second quarter of 1995, and some preliminary data were acquired during this quarter. These data indicate that the highly caustic pH is initially generated in the pneumatic mix, but that such pH is short lived. The initial pH rapidly declines to the range of 8 to 9. Leachates in this pH range will have little or no effect on environmental concerns. Dedicated sampling equipment was installed in the groundwater monitoring wells at the proposed placement site at the Peabody Number 10 mine. Also, the groundwater monitoring wells were {open_quotes}developed{close_quotes} during the quarter to remove the fines trapped in the sand pack and screen. A new procedure was used in this process, and proved successful. A series of tests concerning the geotechnical characteristics of the pneumatic mixes were conducted. Results show that both moisture content and curing time have a direct effect on the strength of the mixes. These are, of course, the expected general results. The Christmas holidays and the closing of the University during an extended period affected the progress of the program during the quarter. However, the program is essentially on schedule, both technically and fiscally, and any delays will be overcome during the first quarter of 1996.

  1. Ab Initio Many-Body Calculations Of Light-Ion Reactions (Conference) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect 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 Authors: Romero-Redondo, C ; Navratil, P ; Quaglioni, S ; Hupin, G ; Langhammer, J ; Calci, A ; Roth, R Publication Date: 2013-07-31 OSTI Identifier: 1093413 Report Number(s): LLNL-PROC-642196 DOE Contract Number: W-7405-ENG-48 Resource Type: Conference Resource Relation: Conference: Presented at: Nuclear

  2. AB INITIO PHASE STABILITY AT HIGH TEMPERATURES AND PRESSURES IN THE V-Cr

    Office of Scientific and Technical Information (OSTI)

    SYSTEM (Journal Article) | SciTech Connect AB INITIO PHASE STABILITY AT HIGH TEMPERATURES AND PRESSURES IN THE V-Cr SYSTEM Citation Details In-Document Search Title: AB INITIO PHASE STABILITY AT HIGH TEMPERATURES AND PRESSURES IN THE V-Cr SYSTEM Authors: Landa, A ; Soderlind, P ; Yang, L H Publication Date: 2013-10-29 OSTI Identifier: 1116979 Report Number(s): LLNL-JRNL-645443 DOE Contract Number: W-7405-ENG-48 Resource Type: Journal Article Resource Relation: Journal Name: Physical Review

  3. Ab Initio Many-Body Calculations Of Light-Ion Reactions (Conference) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect 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 Authors: Romero-Redondo, C ; Navratil, P ; Quaglioni, S ; Hupin, G ; Langhammer, J ; Calci, A ; Roth, R Publication Date: 2013-07-31 OSTI Identifier: 1093413 Report Number(s): LLNL-PROC-642196 DOE Contract Number: W-7405-ENG-48 Resource Type: Conference Resource Relation: Conference: Presented at: Nuclear

  4. Ab Initio Many-Body Calculations of Deuteron-4He Scattering And 6Li States

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Journal Article: Ab Initio Many-Body Calculations of Deuteron-4He Scattering And 6Li States Citation Details In-Document Search Title: Ab Initio Many-Body Calculations of Deuteron-4He Scattering And 6Li States Authors: Quaglioni, S ; Navratil, P Publication Date: 2011-02-08 OSTI Identifier: 1118007 Report Number(s): LLNL-JRNL-469878 DOE Contract Number: W-7405-ENG-48 Resource Type: Journal Article Resource Relation: Journal Name: Phisical Review C, na, na,

  5. Ab Initio NCSM/RGM For Three-Body Cluster Systems And Application To

    Office of Scientific and Technical Information (OSTI)

    4He+n+n (Conference) | SciTech Connect Ab Initio NCSM/RGM For Three-Body Cluster Systems And Application To 4He+n+n Citation Details In-Document Search Title: Ab Initio NCSM/RGM For Three-Body Cluster Systems And Application To 4He+n+n Authors: Romero-Redondo, C ; Navratil, P ; Quaglioni, S ; Hupin, G Publication Date: 2014-04-07 OSTI Identifier: 1129136 Report Number(s): LLNL-PROC-652666 DOE Contract Number: W-7405-ENG-48 Resource Type: Conference Resource Relation: Conference: Presented

  6. Ab Initio NCSM/RGM For Three-Body Cluster Systems And Application To

    Office of Scientific and Technical Information (OSTI)

    4He+n+n (Conference) | SciTech Connect Ab Initio NCSM/RGM For Three-Body Cluster Systems And Application To 4He+n+n Citation Details In-Document Search Title: Ab Initio NCSM/RGM For Three-Body Cluster Systems And Application To 4He+n+n × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is provided as a public service. Visit OSTI to utilize additional information

  7. Ab Initio Thermodynamic Study of the CO2 Capture Properties of Potassium

    Office of Scientific and Technical Information (OSTI)

    Carbonate Sesquihydrate, K2CO3*1.5H2O (Journal Article) | SciTech Connect Journal Article: Ab Initio Thermodynamic Study of the CO2 Capture Properties of Potassium Carbonate Sesquihydrate, K2CO3*1.5H2O Citation Details In-Document Search Title: Ab Initio Thermodynamic Study of the CO2 Capture Properties of Potassium Carbonate Sesquihydrate, K2CO3*1.5H2O By combining density functional theory and lattice phonon dynamics, the thermodynamic properties of CO2 absorption/desorption reactions with

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

    Office of Scientific and Technical Information (OSTI)

    (Conference) | SciTech Connect Advances in the ab initio description of nuclear three-cluster systems Citation Details In-Document Search Title: Advances in the ab initio description of nuclear three-cluster systems Authors: Redondo, C R ; Quaglioni, S ; Navratil, P ; Hupin, G Publication Date: 2015-08-25 OSTI Identifier: 1234622 Report Number(s): LLNL-PROC-676587 DOE Contract Number: AC52-07NA27344 Resource Type: Conference Resource Relation: Conference: Presented at: 21st International

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

    Office of Scientific and Technical Information (OSTI)

    (Conference) | SciTech Connect Advances in the ab initio description of nuclear three-cluster systems Citation Details In-Document Search Title: Advances in the ab initio description of nuclear three-cluster systems × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is provided as a public service. Visit OSTI to utilize additional information resources in energy

  10. Spectroscopic signatures of AA' and AB stacking of chemical vapor deposited bilayer MoS2

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

    Xia, Ming; Li, Bo; Yin, Kuibo; Capellini, Giovanni; Niu, Gang; Gong, Yongji; Zhou, Wu; Ajayan, Pulickel M.; Xie, Ya -Hong

    2015-11-04

    We discuss prominent resonance Raman and photoluminescence spectroscopic differences between AA'and AB stacked bilayer molybdenum disulfide (MoS2) grown by chemical vapor deposition are reported. Bilayer MoS2 islands consisting of the two stacking orders were obtained under identical growth conditions. Also, resonance Raman and photoluminescence spectra of AA' and AB stacked bilayer MoS2 were obtained on Au nanopyramid surfaces under strong plasmon resonance. Both resonance Raman and photoluminescence spectra show distinct features indicating clear differences in interlayer interaction between these two phases. The implication of these findings on device applications based on spin and valley degrees of freedom.

  11. 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.

  12. 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...

  13. RESEARCH and RELATED BUDGET - SECTION A-B, BUDGET PERIOD 1

    Energy Savers [EERE]

    SECTION A-B, BUDGET PERIOD 1 *Budget Type: Project: *Name of Organization: *Budget Period: 1 Prefix *Last Name Suffix *Project Role Base Salary $ Cal. Months Acad. Months Sum. Months *Requested Salary ($) *Fringe Benefits ($) *Funds Requested ($) 1. Principal Investigator - $ - $ - $ - $ 2. - $ - $ - $ - $ 3. - $ - $ - $ - $ 4. - $ - $ - $ - $ 5. - $ - $ - $ - $ 6. - $ - $ - $ - $ 7. - $ - $ - $ - $ 8. - $ - $ - $ - $ 9. - $ - $ Attachments: Yes Cal. Months Acad. Months Sum. Months *Requested

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

    DOE Patents [OSTI]

    Jody, Bassam J.; Arman, Bayram; Karvelas, Dimitrios E.; Pomykala, Jr., Joseph A.; Daniels, Edward J.

    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.

  15. Ab Initio Many-Body Calculation of the 7Be(p,g)8B Radiative Capture...

    Office of Scientific and Technical Information (OSTI)

    Ab Initio Many-Body Calculation of the 7Be(p,g)8B Radiative Capture Citation Details In-Document Search Title: Ab Initio Many-Body Calculation of the 7Be(p,g)8B Radiative Capture ...

  16. 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.

  17. Re-Use of Clean Coal Technology By-Products in the Construction of Low Permeability Liners. Final report

    SciTech Connect (OSTI)

    Wolfe, William E.; Butalia, Tarunjit S.; Walker, Harold; Mitsch, William

    2005-07-15

    This final project report presents the results of a research program conducted at The Ohio State University from January 3, 2000 to June 30, 2005 to investigate the long-term use of stabilized flue gas desulfurization (FGD) materials in the construction of low permeability liners for ponds and wetlands. The objective of the research program was to establish long-term field-verified time-dependent relationships for the performance of liners constructed from stabilized FGD byproducts generated in Ohio. The project objective was accomplished with a coordinated program of testing and analyzing small-scale laboratory specimens under controlled conditions, mediumscale wetland experiments, and monitoring of a full-scale FGD-lined 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 especially in the design of daily covers and liners for landfills, seepage cutoff walls and trenches, and for nutrient retention and pollution mitigation wetlands. The small-scale laboratory tests and monitoring of the 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. Actual long-term permeability coefficients in the range of 10-7 cm/sec (3 x 10-9 ft/sec) can be obtained in the field by compacting lime and fly ash enriched stabilized FGD materials. Leachate from the FGD material meets Ohios 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. The FGD wetland experiments indicated no significant differences in phosphorus retention between the clay and FGD-lined basins. The FGD-lined basins had a greater richness of plant species but lower total plant productivity than did the claylined basins. Future research work investigating the use of FGD materials in the construction of landfill caps and liners, and wetland experiments at the medium to full-scale level is recommended.

  18. A Zinc-Finger-Family Transcription Factor, AbVf19, Is Required for the Induction of a Gene Subset Important for Virulence in Alternaria brassicicola

    SciTech Connect (OSTI)

    Srivastava, Akhil; Ohm, Robin A.; Oxiles, Lindsay; Brooks, Fred; Lawrence, Christopher B.; Grigoriev, Igor V.; Cho, Yangrae

    2011-10-26

    Alternaria brassicicola is a successful saprophyte and necrotrophic plant pathogen with a broad host range within the family Brassicaceae. It produces secondary metabolites that marginally affect virulence. Cell wall degrading enzymes (CDWE) have been considered important for pathogenesis but none of them individually have been identified as significant virulence factors in A. brassicicola. In this study, knockout mutants of a gene, AbVf19, were created and produced considerably smaller lesions than the wild type on inoculated host plants. The presence of tandem zinc-finger domains in the predicted amino acid sequence and nuclear localization of AbVf19- reporter protein suggested that it was a transcription factor. Gene expression comparisons using RNA-seq identified 74 genes being downregulated in the mutant during a late stage of infection. Among the 74 downregulated genes, 28 were putative CWDE genes. These were hydrolytic enzyme genes that composed a small fraction of genes within each family of cellulases, pectinases, cutinases, and proteinases. The mutants grew slower than the wild type on an axenic medium with pectin as a major carbon source. This study demonstrated the existence and the importance of a transcription factor that regulates a suite of genes that are important for decomposing and utilizing plant material during the late stage of plant infection.

  19. 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.

  20. 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.

  1. 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.

  2. Treatability study on the use of by-product sulfur in Kazakhstan for the stabilization of hazardous and radioactive wastes

    SciTech Connect (OSTI)

    Kalb, P.D.; Milian, L.W.; Yim, S.P.; Dyer, R.S.; Michaud, W.R.

    1997-12-01

    The Republic of Kazakhstan generates significant quantities of excess elemental sulfur from the production and refining of petroleum reserves. In addition, the country also produces hazardous, and radioactive wastes which require treatment/stabilization. In an effort to find secondary uses for the elemental sulfur, and simultaneously produce a material which could be used to encapsulate, and reduce the dispersion of harmful contaminants into the environment, BNL evaluated the use of the sulfur polymer cement (SPC) produced from by-product sulfur in Kazakhstan. This thermoplastic binder material forms a durable waste form with low leaching properties and is compatible with a wide range of waste types. Several hundred kilograms of Kazakhstan sulfur were shipped to the US and converted to SPC (by reaction with 5 wt% organic modifiers) for use in this study. A phosphogypsum sand waste generated in Kazakhstan during the purification of phosphate fertilizer was selected for treatment. Waste loadings of 40 wt% were easily achieved. Waste form performance testing included compressive strength, water immersion, and Accelerated Leach Testing.

  3. Treatability study on the use of by-product sulfur in Kazakhstan for the stabilization of hazardous and radioactive wastes

    SciTech Connect (OSTI)

    Yim, Sung Paal; Kalb, P.D.; Milian, L.W.

    1997-08-01

    The Republic of Kazakhstan generates significant quantities of excess sulfur from the production and refining of petroleum reserves. In addition, the country also produces hazardous, and radioactive wastes which require treatment/stabilization. In an effort to find secondary uses for the elemental sulfur, and simultaneously produce a material which could be used to encapsulate, and reduce the dispersion of harmful contaminants into the environment, BNL evaluated the use of the sulfur polymer cement (SPC) produced from by-product sulfur in Kazakhstan. This thermoplastic binder material forms a durable waste form with low leaching properties and is compatible with a wide range of waste types. Several hundred kilograms of Kazakhstan sulfur were shipped to the U.S. and converted to SPC (by reaction with 5 wt% organic modifiers) for use in this study. A phosphogypsum sand waste generated in Kazakhstan during the purification of phosphate fertilizer was selected for treatment. Waste loading of 40 wt% were easily achieved. Waste form performance testing included compressive strength, water immersion, and Accelerated Leach Testing. 14 refs., 7 figs., 6 tabs.

  4. Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo

    SciTech Connect (OSTI)

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

    2015-04-14

    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.

  5. Ab Initio Many-Body Calculations Of Nucleon-Nucleus Scattering

    SciTech Connect (OSTI)

    Quaglioni, S; Navratil, P

    2008-12-17

    We develop a new ab initio many-body approach capable of describing simultaneously both bound and scattering states in light nuclei, by combining the resonating-group method with the use of realistic interactions, and a microscopic and consistent description of the nucleon clusters. This approach preserves translational symmetry and Pauli principle. We outline technical details and present phase shift results for neutron scattering on {sup 3}H, {sup 4}He and {sup 10}Be and proton scattering on {sup 3,4}He, using realistic nucleon-nucleon (NN) potentials. Our A = 4 scattering results are compared to earlier ab initio calculations. We find that the CD-Bonn NN potential in particular provides an excellent description of nucleon-{sup 4}He S-wave phase shifts. We demonstrate that a proper treatment of the coupling to the n-{sup 10}Be continuum is successful in explaining the parity-inverted ground state in {sup 11}Be.

  6. 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 QCDs gauge sector coincides with that required in order to describe ground-state hadron observables usingmorea nonperturbative truncation of QCDs DysonSchwinger 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

  7. Preparation and immunoreactivity of high specific activity indium-111-DTPA labeled monoclonal antibody (MoAb) using ultrapure indium-111

    SciTech Connect (OSTI)

    Zoghbi, S.S.; Neumann, R.D.; Gottschalk, A.

    1986-10-01

    The preparation of high-specific activity /sup 111/In-DTPA-MoAb without increasing the number of DTPA molecules per Ab was investigated. Instant thin layer chromatography was used to assay the relationship between labeling efficiencies and specific activities. With ultrapurified /sup 111/In, the specific activity of the radiolabeled MoAb approached the expected theoretic maximum of 100 muCi/microgram. The bioactivity of such high-specific activity preparation showed no degradation as measured by in vitro cell binding assay.

  8. 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 different co-processed fuel oils were tested: one that had been partially hydrotreated, and the other a product of fractionation before hydrotreating. Task 5 focused on examining refining methods that would utilize coal and produce thermally stable jet fuel, included delayed coking and solvent extraction. Delayed coking was done on blends of decant oil and coal, with the goal to produce a premium carbon product and liquid fuels. Coking was done on bench scale and large laboratory scale cokers. Two coals were examined for co-coking, using Pittsburgh seam coal and Marfork coal product. Reactions in the large, laboratory scaled coker were reproducible in yields of products and in quality of products. While the co-coke produced from both coals was of sponge coke quality, minerals left in the coke made it unacceptable for use as anode or graphite grade filler.

  9. Ab Initio Coupled-Cluster Effective Interactions for the Shell Model:

    Office of Scientific and Technical Information (OSTI)

    Application to Neutron-Rich Oxygen and Carbon Isotopes (Journal Article) | SciTech Connect Coupled-Cluster Effective Interactions for the Shell Model: Application to Neutron-Rich Oxygen and Carbon Isotopes Citation Details In-Document Search Title: Ab Initio Coupled-Cluster Effective Interactions for the Shell Model: Application to Neutron-Rich Oxygen and Carbon Isotopes Authors: Jansen, G. R. ; Engel, J. ; Hagen, G. ; Navratil, P. ; Signoracci, A. Publication Date: 2014-10-03 OSTI

  10. Fungal-specific transcription factor AbPf2 activates pathogenicity in Alternaria brassicicola

    SciTech Connect (OSTI)

    Cho, Yangrae; Ohm, Robin A.; Grigoriev, Igor V.; Srivastava, Akhil

    2012-12-03

    Alternaria brassicicola is a successful saprophyte and necrotrophic plant pathogen. To identify molecular determinants of pathogenicity, we created non-pathogenic mutants of a transcription factor-encoding gene, AbPf2. The frequency and timing of germination and appressorium formation on host plants were similar between the non-pathogenic abpf2 mutants and wild-type A. brassicicola. The mutants were also similar in vitro to wild-type A. brassicicola in terms of vegetative growth, conidium production, and responses to a phytoalexin, reactive oxygen species and osmolites. The hyphae of the mutants grew slowly but did not cause disease symptoms on the surface of host plants. Transcripts of the AbPf2 gene increased exponentially soon after wild-type conidia contacted their host plants . A small amount of AbPf2 protein, as monitored using GFP fusions, was present in young, mature conidia. The protein level decreased during saprophytic growth, but increased and was located primarily in fungal nuclei during pathogenesis. Levels of the proteins and transcripts sharply decreased following colonization of host tissues beyond the initial infection site. When expression of the transcription factor was induced in the wild-type during early pathogenesis, 106 fungal genes were also induced in the wild-type but not in the abpf2 mutants. Notably, 33 of the 106 genes encoded secreted proteins, including eight putative effector proteins. Plants inoculated with abpf2 mutants expressed higher levels of genes associated with photosynthesis, the pentose phosphate pathway and primary metabolism, but lower levels of defense-related genes. Our results suggest that AbPf2 is an important regulator of pathogenesis, but does not affect other cellular processes in A. brassicicola.

  11. Contaminant Sources are Known

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

    Contaminant Sources are Known Contaminant Sources are Known Historical contaminant sources from liquid discharges and solid waste management units are known. August 1, 2013 Contaminant source map LANL contaminant source map RELATED IMAGES http://farm4.staticflickr.com/3789/9631743884_4caeb970f9_t.jpg Enlarge

  12. 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.

  13. 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 exchangecorrelation functional employed and the way of applying pressure.

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

    SciTech Connect (OSTI)

    Geng, Hua Y.

    2015-02-15

    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 up 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{sub s}=0.912.

  15. 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.

  16. 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

  17. 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)

  18. Ab Initio Many-Body Calculation of the 7Be(p,g)8B Radiative Capture...

    Office of Scientific and Technical Information (OSTI)

    Title: Ab Initio Many-Body Calculation of the 7Be(p,g)8B Radiative Capture Authors: Navratil, P ; Roth, R ; Quaglioni, S Publication Date: 2011-05-23 OSTI Identifier: 1122228 ...

  19. Management of dry flue gas desulfurization by-products in underground mines. Annual report, October 1993--September 1994

    SciTech Connect (OSTI)

    Chugh, Y.P.; Dutta, D.; Esling, S.; Ghafoori, N.; Paul, B.; Sevim, H.; Thomasson, E.

    1994-10-01

    Preliminary environmental risk assessment on the FGD by-products to be placed underground is virtually complete. The initial mixes for pneumatic and hydraulic placement have been selected and are being subject to TCLP, ASTM, and modified SLP shake tests as well as ASTM column leaching. Results of these analyses show that the individual coal combustion residues, and the residues mixes, are non-hazardous in character. Based on available information, including well logs obtained from Peabody Coal Company, a detailed study of the geology of the placement site was completed. The study shows that the disposal site in the abandoned underground mine workings at depths of between 325 and 375 feet are well below potable groundwater resources. This, coupled with the benign nature of the residues and residues mixtures, should alleviate any concern that the underground placement will have adverse effects on groundwater resources. Seven convergence stations were installed in the proposed underground placement area of the Peabody Coal Company No. 10 mine. Several sets of convergence data were obtained from the stations. A study of materials handling and transportation of coal combustion residues from the electric power plant to the injection site has been made. The study evaluated the economics of the transportation of coal combustion residues by pneumatic trucks, by pressure differential rail cars, and by SEEC, Inc. collapsible intermodal containers (CICs) for different annual handling rates and transport distances. The preliminary physico-chemical characteristics and engineering properties of various FBC fly ash-spent bed mixes have been determined, and long-term studies of these properties are continuing.

  20. Electrolytes for power sources

    DOE Patents [OSTI]

    Doddapaneni, Narayan; Ingersoll, David

    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.

  1. 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.

  2. Level: National and Regional Data; Row: Selected NAICS Codes; Column: Energy Sources

    U.S. Energy Information Administration (EIA) Indexed Site

    August 2009 Next MECS will be conducted in 2010 Table 3.6 Selected Wood and Wood-Related Products in Fuel Consumption, 2006 Level: National and Regional Data; Row: Selected NAICS Codes; Column: Energy Sources Unit: Trillion Btu. Wood Residues and Wood-Related Pulping Liquor Wood Byproducts and NAICS or Biomass Agricultural Harvested Directly from Mill Paper-Related Code(a) Subsector and Industry Black Liquor Total(b) Waste(c) from Trees(d) Processing(e) Refuse(f) Total United States 311 Food 0

  3. 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.

  4. Capital Sources and Providers

    Broader source: Energy.gov [DOE]

    The most important elements of a clean energy lending program are the capital source and the capital provider. The capital source provides the funding to pay for clean energy projects, and the capital provider manages those funding sources. For example, a bank might use its customers' deposits as a capital source, but as the capital provider, the bank manages the investment of that capital.

  5. The development of explosions in axisymmetric ab initio core-collapse supernova simulations of 12–25 M⊙ stars

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

    Bruenn, Stephen W.; Lentz, Eric J.; Hix, William Raphael; Mezzacappa, Anthony; Harris, James Austin; Messer, O. E. Bronson; Endeve, Eirik; Blondin, John M.; Chertkow, Merek Austin; Lingerfelt, Eric J.; et al

    2016-02-16

    We present four ab initio axisymmetric core-collapse supernova simulations initiated from 12, 15, 20, and 25 M⊙ zero-age main sequence progenitors. All of the simulations yield explosions and have been evolved for at least 1.2 s after core bounce and 1 s after material first becomes unbound. These simulations were computed with our Chimera code employing RbR spectral neutrino transport, special and general relativistic transport effects, and state-of-the-art neutrino interactions. Continuing the evolution beyond 1 s after core bounce allows the explosions to develop more fully and the processes involved in powering the explosions to become more clearly evident. Wemore » compute explosion energy estimates, including the negative gravitational binding energy of the stellar envelope outside the expanding shock, of 0.34, 0.88, 0.38, and 0.70 Bethe (B ≡ 1051 erg) and increasing at 0.03, 0.15, 0.19, and 0.52 BS–1, respectively, for the 12, 15, 20, and 25 M⊙ models at the endpoint of this report. We examine the growth of the explosion energy in our models through detailed analyses of the energy sources and flows. We discuss how the explosion energies may be subject to stochastic variations as exemplfied by the effect of the explosion geometry of the 20 M⊙ model in reducing its explosion energy. We compute the proto-neutron star masses and kick velocities. In conclusion, we compare our results for the explosion energies and ejected 56Ni masses against some observational standards despite the large error bars in both models and observations.« less

  6. Multilevel cascade voltage source inverter with seperate DC sources...

    Office of Scientific and Technical Information (OSTI)

    Multilevel cascade voltage source inverter with seperate DC sources Citation Details In-Document Search Title: Multilevel cascade voltage source inverter with seperate DC sources ...

  7. Multilevel cascade voltage source inverter with seperate DC sources...

    Office of Scientific and Technical Information (OSTI)

    Multilevel cascade voltage source inverter with seperate DC sources Citation Details In-Document Search Title: Multilevel cascade voltage source inverter with seperate DC sources A ...

  8. Initial oxidation of TiAl: An ab-initio investigation

    SciTech Connect (OSTI)

    Bakulin, Alexander V. Kulkova, Svetlana E.; Hu, Qing-Miao; Yang, Rui

    2014-11-14

    We present ab-initio investigation of oxygen adsorption up to two monolayer coverage on the stoichiometric TiAl(100) surface to illustrate the initial oxidation stage. The formation of band gap near the Fermi level demonstrates the transformation from metal to oxide surface with increasing oxygen coverage. The oxidation of Ti rather than Al is observed from our electronic structure calculations. The energy barriers of oxygen diffusion between different sites on surface as well as in subsurface and bulk region are derived. It is shown that the diffusion of oxygen is much easier on the surface than that into the subsurface region.

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

    SciTech Connect (OSTI)

    Virtala, J.; Edberg, N.; Hallin, M. . 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.

  10. Testing the density matrix expansion against ab initio calculations of trapped neutron drops

    SciTech Connect (OSTI)

    Bogner, S. K.; Hergert, H.; Furnstahl, R. J.; Kortelainen, Erno M; Stoitsov, M. V.; Maris, Pieter; Vary, J. P.

    2011-01-01

    Microscopic input to a universal nuclear energy density functional can be provided through the density matrix expansion (DME), which has recently been revived and improved. Several DME implementation strategies are tested for neutron drop systems in harmonic traps by comparing to Hartree-Fock (HF) and ab initio no-core full configuration (NCFC) calculations with a model interaction (Minnesota potential). The new DME with exact treatment of Hartree contributions is found to best reproduce HF results and supplementing the functional with fit Skyrme-like contact terms shows systematic improvement toward the full NCFC results.

  11. AB INITIO STUDIES OF COKE FORMATION ON NI CATALYSTS DURING METHANE REFORMING

    SciTech Connect (OSTI)

    David S. Sholl

    2003-09-25

    The atomic-scale processes that control the formation of carbon deposits on Ni catalysts in reforming applications are poorly understood. Ab initio Density Functional Theory calculations have been used to examine several key elementary steps in the complex network of chemical reactions that precedes carbon formation on practical catalysts. Attention has been focused on the disproportionation of CO. A comparative study of this reaction on flat and stepped crystal planes of Ni has provided the first direct evidence that surface carbon formation is driven by elementary reactions occurring at defect sites on Ni catalysts.

  12. Ab initio calculations of the electronic structure of silicon nanocrystals doped with shallow donors (Li, P)

    SciTech Connect (OSTI)

    Kurova, N. V. Burdov, V. A.

    2013-12-15

    The results of ab initio calculations of the electronic structure of Si nanocrystals doped with shallow donors (Li, P) are reported. It is shown that phosphorus introduces much more significant distortions into the electronic structure of the nanocrystal than lithium, which is due to the stronger central cell potential of the phosphorus ion. It is found that the Li-induced splitting of the ground state in the conduction band of the nanocrystal into the singlet, doublet, and triplet retains its inverse structure typical for bulk silicon.

  13. SUSTAINABLE DEVELOPMENT IN KAZAKHASTAN: USING OIL AND GAS PRODUCTION BY-PRODUCT SULFUR FOR COST-EFFECTIVE SECONDARY END-USE PRODUCTS.

    SciTech Connect (OSTI)

    KALB, P.D.; VAGIN, S.; BEALL, P.W.; LEVINTOV, B.L.

    2004-09-25

    The Republic of Kazakhstan is continuing to develop its extensive petroleum reserves in the Tengiz region of the northeastern part of the Caspian Sea. Large quantities of by-product sulfur are being produced as a result of the removal of hydrogen sulfide from the oil and gas produced in the region. Lack of local markets and economic considerations limit the traditional outlets for by-product sulfur and the buildup of excess sulfur is a becoming a potential economic and environmental liability. Thus, new applications for re-use of by-product sulfur that will benefit regional economies including construction, paving and waste treatment are being developed. One promising application involves the cleanup and treatment of mercury at a Kazakhstan chemical plant. During 19 years of operation at the Pavlodar Khimprom chlor-alkali production facility, over 900 tons of mercury was lost to the soil surrounding and beneath the buildings. The Institute of Metallurgy and Ore Benefication (Almaty) is leading a team to develop and demonstrate a vacuum-assisted thermal process to extract the mercury from the soil and concentrate it as pure, elemental mercury, which will then be treated using the Sulfur Polymer Stabilization/Solidification (SPSS) process. The use of locally produced sulfur will recycle a low-value industrial by-product to treat hazardous waste and render it safe for return to the environment, thereby helping to solve two problems at once. SPSS chemically stabilizes mercury to mercuric sulfide, which has a low vapor pressure and low solubility, and then physically encapsulates the material in a durable, monolithic solid sulfur polymer matrix. Thus, mercury is placed in a solid form very much like stable cinnabar, the form in which it is found in nature. Previous research and development has shown that the process can successfully encapsulate up to 33 wt% mercury in the solid form, while still meeting very strict regulatory standards for leachable mercury (0.025 mg/l in the Toxicity Characteristic Leaching Procedure). The research and development to deploy Kazakhstan recycled sulfur for secondary applications described in this paper is being conducted with support from the International Science and Technology Center (ISTC) and the U.S. Department of Energy Initiatives for Proliferation Prevention (DOE IPP).

  14. GPFA-AB_Phase1RiskAnalysisTask5DataUpload

    SciTech Connect (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”.

  15. 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.

  16. 4He+n+n continuum within an ab initio framework

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

    Romero-Redondo, Carolina; Quaglioni, Sofia; Navratil, Petr; Hupin, Guillaume

    2014-07-16

    In this study, the low-lying continuum spectrum of the 6He nucleus is investigated for the first time within an ab initio framework that encompasses the 4He+n+n three-cluster dynamics characterizing its lowest decay channel. This is achieved through an extension of the no-core shell model combined with the resonating-group method, in which energy-independent nonlocal interactions among three nuclear fragments can be calculated microscopically, starting from realistic nucleon-nucleon interactions and consistent ab initio many-body wave functions of the clusters. The three-cluster Schrödinger equation is solved with three-body scattering boundary conditions by means of the hyperspherical-harmonics method on a Lagrange mesh. Using amore » soft similarity-renormalization-group evolved chiral nucleon-nucleon potential, we find the known Jπ = 2+ resonance as well as a result consistent with a new low-lying second 2+ resonance recently observed at GANIL at ~2.6 MeV above the He6 ground state. We also find resonances in the 2–, 1+, and 0– channels, while no low-lying resonances are present in the 0+ and 1– channels.« less

  17. Ground state analytical ab initio intermolecular potential for the Cl{sub 2}-water system

    SciTech Connect (OSTI)

    Hormain, Laureline; Monnerville, Maurice Toubin, Cline; Duflot, Denis; Pouilly, Brigitte; Briquez, Stphane; Bernal-Uruchurtu, Margarita I.; Hernndez-Lamoneda, Ramn

    2015-04-14

    The chlorine/water interface is of crucial importance in the context of atmospheric chemistry. Modeling the structure and dynamics at this interface requires an accurate description of the interaction potential energy surfaces. We propose here an analytical intermolecular potential that reproduces the interaction between the Cl{sub 2} molecule and a water molecule. Our functional form is fitted to a set of high level ab initio data using the coupled-cluster single double (triple)/aug-cc-p-VTZ level of electronic structure theory for the Cl{sub 2} ? H{sub 2}O complex. The potential fitted to reproduce the three minima structures of 1:1 complex is validated by the comparison of ab initio results of Cl{sub 2} interacting with an increasing number of water molecules. Finally, the model potential is used to study the physisorption of Cl{sub 2} on a perfectly ordered hexagonal ice slab. The calculated adsorption energy, in the range 0.27 eV, shows a good agreement with previous experimental results.

  18. Toward spectroscopically accurate global ab initio potential energy surface for the acetylene-vinylidene isomerization

    SciTech Connect (OSTI)

    Han, Huixian; Li, Anyang; Guo, Hua

    2014-12-28

    A new full-dimensional global potential energy surface (PES) for the acetylene-vinylidene isomerization on the ground (S{sub 0}) electronic state has been constructed by fitting ?37 000 high-level ab initio points using the permutation invariant polynomial-neural network method with a root mean square error of 9.54 cm{sup ?1}. The geometries and harmonic vibrational frequencies of acetylene, vinylidene, and all other stationary points (two distinct transition states and one secondary minimum in between) have been determined on this PES. Furthermore, acetylene vibrational energy levels have been calculated using the Lanczos algorithm with an exact (J = 0) Hamiltonian. The vibrational energies up to 12 700 cm{sup ?1} above the zero-point energy are in excellent agreement with the experimentally derived effective Hamiltonians, suggesting that the PES is approaching spectroscopic accuracy. In addition, analyses of the wavefunctions confirm the experimentally observed emergence of the local bending and counter-rotational modes in the highly excited bending vibrational states. The reproduction of the experimentally derived effective Hamiltonians for highly excited bending states signals the coming of age for the ab initio based PES, which can now be trusted for studying the isomerization reaction.

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

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

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

    2015-07-24

    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 calculationmore » of the 4He total photoabsorption cross section and electric dipole polarizability. All observables are calculated within the ab initio no-core shell model. Furthermore, 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.« less

  20. " Row: Energy Sources;" " ...

    U.S. Energy Information Administration (EIA) Indexed Site

    Nonswitchable Minimum and Maximum Consumption, 2010; " " Level: National and Regional Data;" " Row: Energy Sources;" " Column: Consumption Potential;" " Unit: Physical Units." ...

  1. 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.

  2. 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.

  3. 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)

  4. Imaging findings and pharmacokinetics of 111-indium ZME-018 monoclonal antibody (MoAb) in malignant melanoma

    SciTech Connect (OSTI)

    Murray, J.L.; Rosenblum, M.; Lamki, L.; Haynie, T.P.; Glenn, H.; Jahns, M.; Plager, C.; Hersh, E.M.; Unger, M.; Carlo, D.L.

    1985-05-01

    13 patients with metastatic melanoma were studied using 5 mCi of In-111 labeled MoAb ZME-018 which reacts with GP 240 melanoma-associated antigen. The MoAb was infused over 2 h at doses of 2.5 mg (5 pts), 5 mg (5 pts), and 10 mg (3 pts). Total body tomograms and planar spot views with region of interest analysis were performed at 4, 24 and 72 hours post infusion. No adverse side effects were noted. There was rapid distribution to spleen, bone, bone marrow, liver, and testes. Tumor sites could be visualized as early as 24 hours but were more easily seen at 72 hours when the background activity was less. 20 of 46 (43%) previously documented metastases were identified. More sites imaged with increasing concentrations of MoAB, I.E., 25% at 2.5 mg; 67% at 5 mg; 70% at 10 mg. Tumor localization occurred in a significant number of patients especially at MoAb doses above 2.5 mg. In two instances, uptake of 111-In occurred in previously undiagnosed sites. The pharmacokinetics of MoAb were analyzed at each dose level. At the 5 mg dose, the terminal phase half-life for 111-In in plasma was 24.5 +- 2.7 hours. The apparent volume of distribution (Vd) was 4.03 +- 5iota similar to the plasma value, and the calculated clearance rate for 111-In label was 0.0259 + 0.002 ml/kg/min. Mean urinary excretion of 111-In label was 8.7 +- 0.6% of the administered dose over 48 hours after administration. The calculated pharmacokinetic parameters were independent of antibody dose. ZME 018 was cleared more rapidly from plasma, compared to previous studies with P97 antimelanoma MoAb.

  5. Electronic states of lithium passivated germanium nanowires: An ab-initio study

    SciTech Connect (OSTI)

    Trejo, A.; Carvajal, E.; Vzquez-Medina, R.; Cruz-Irisson, M.

    2014-05-15

    A study of the electronic and structural properties of germanium nanowires (GeNWs) was performed using the ab-initio Density Functional Theory within the generalized gradient approximation where electron-ion interactions are described by ultrasoft pseudopotentials. To study the effects of the lithium in the surface of the GeNWs we compare the electronic band structures of Hydrogen passivated GeNWs with those of partial and totally Li passivated GeNWs. The nanowires were constructed in the [001], [111] and [110] directions, using the supercell model to create different wire diameters. The results show that in the case of partial Li passivation there are localized orbitals near the valence band maximum, which would create a p-doped-kind of state. The total Li passivation created metallic states for all the wires.

  6. 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.

  7. Classification of octet AB-type binary compounds using dynamical charges: A materials informatics perspective

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

    Pilania, G.; Gubernatis, J. E.; Lookman, T.

    2015-12-03

    The role of dynamical (or Born effective) charges in classification of octet AB-type binary compounds between four-fold (zincblende/wurtzite crystal structures) and six-fold (rocksalt crystal structure) coordinated systems is discussed. We show that the difference in the dynamical charges of the fourfold and sixfold coordinated structures, in combination with Harrison’s polarity, serves as an excellent feature to classify the coordination of 82 sp–bonded binary octet compounds. We use a support vector machine classifier to estimate the average classification accuracy and the associated variance in our model where a decision boundary is learned in a supervised manner. Lastly, we compare the out-of-samplemore » classification accuracy achieved by our feature pair with those reported previously.« less

  8. 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.

  9. Classification of octet AB-type binary compounds using dynamical charges: A materials informatics perspective

    SciTech Connect (OSTI)

    Pilania, G.; Gubernatis, J. E.; Lookman, T.

    2015-12-03

    The role of dynamical (or Born effective) charges in classification of octet AB-type binary compounds between four-fold (zincblende/wurtzite crystal structures) and six-fold (rocksalt crystal structure) coordinated systems is discussed. We show that the difference in the dynamical charges of the fourfold and sixfold coordinated structures, in combination with Harrison’s polarity, serves as an excellent feature to classify the coordination of 82 sp–bonded binary octet compounds. We use a support vector machine classifier to estimate the average classification accuracy and the associated variance in our model where a decision boundary is learned in a supervised manner. Lastly, we compare the out-of-sample classification accuracy achieved by our feature pair with those reported previously.

  10. 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.

  11. 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.

  12. Experimental and ab initio study of the photofragmentation of DNA and RNA sugars

    SciTech Connect (OSTI)

    Ha, D. T.; Huels, M. A.; Huttula, M.; Urpelainen, S.; Kukk, E.

    2011-09-15

    The photoelectron-photoion-photoion coincidence method is used to measure the photodissociation of doubly charged D-ribose (C{sub 5}H{sub 10}O{sub 5}), the RNA sugar molecules, and 2-deoxy-D-ribose (C{sub 5}H{sub 10}O{sub 4}), the DNA sugar molecules, following normal Auger decay after initial C 1s and O 1s core ionizations. The fragment identification is facilitated by measuring isotopically labeled D-ribose, such as D-ribose deuterated at C(1), and with {sup 13}C at the C(5) position. Ab initio quantum chemistry calculations are used to gain further insight into the abundant appearance of the CHO{sup +} fragment.

  13. AB INITIO STUDIES OF COKE FORMATION ON NI CATALYSTS DURING METHANE REFORMING

    SciTech Connect (OSTI)

    David S. Sholl

    2004-09-25

    The atomic-scale processes that control the formation of carbon deposits on Ni catalysts in reforming applications are poorly understood. Ab initio Density Functional Theory calculations have been used to examine several key elementary steps in the complex network of chemical reactions that precedes carbon formation on practical catalysts. Attention has been focused on the disproportionation of CO. A comparative study of this reaction on flat and stepped crystal planes of Ni has provided the first direct evidence that surface carbon formation is driven by elementary reactions occurring at defect sites on Ni catalysts. The adsorption and diffusion of atomic H on several flat and stepped Ni surfaces has also been characterized experimentally.

  14. Ab Initio Studies of Coke Formation on Ni Catalysts During Methane Reforming

    SciTech Connect (OSTI)

    David S. Sholl

    2006-03-05

    The atomic-scale processes that control the formation of carbon deposits on Ni catalysts in reforming applications are poorly understood. Ab initio Density Functional Theory calculations have been used to examine several key elementary steps in the complex network of chemical reactions that precedes carbon formation on practical catalysts. Attention has been focused on the disproportionation of CO. A comparative study of this reaction on flat and stepped crystal planes of Ni has provided the first direct evidence that surface carbon formation is driven by elementary reactions occurring at defect sites on Ni catalysts. The adsorption and diffusion of atomic H on several flat and stepped Ni surfaces has also been characterized experimentally.

  15. Pressure effect on elastic anisotropy of crystals from ab initio simulations: The case of silicate garnets

    SciTech Connect (OSTI)

    Mahmoud, A.; Erba, A. Dovesi, R.; Doll, K.

    2014-06-21

    A general methodology has been devised and implemented into the solid-state ab initio quantum-mechanical CRYSTAL program for studying the evolution under geophysical pressure of the elastic anisotropy of crystalline materials. This scheme, which fully exploits both translational and point symmetry of the crystal, is developed within the formal frame of one-electron Hamiltonians and atom-centered basis functions. Six silicate garnet end-members, among the most important rock-forming minerals of the Earth's mantle, are considered, whose elastic anisotropy is fully characterized under high hydrostatic compressions, up to 60 GPa. The pressure dependence of azimuthal anisotropy and shear-wave birefringence of seismic wave velocities for these minerals are accurately simulated and compared with available single-crystal measurements.

  16. Ab initio calculations of singlet and triplet excited states of chlorine nitrate and nitric acid

    SciTech Connect (OSTI)

    Grana, A.M.; Head-Gordon, M. |; Lee, T.J.

    1995-03-16

    Ab initio calculations of vertical excitations to single and triplet excited states of chlorine nitrate and nitric acid are reported, using the CIS, CIS(D), and CCSD methods. The effects of basis set composition and calculational methods are investigated. The nature of the electronic transitions are examined by decomposing the difference density into the sum of detachment and attachment densities. Counterparts for the three lowest singlet excited states of nitric acid survive relatively unperturbed in chlorine nitrate, while other low lying singlet states of chlorine nitrate appear to be directly dissociative in the CIO chromophore. These results suggest an assignment of the two main peaks in the experimental chlorine nitrate absorption spectrum. In addition, triplet vertical excitations and the lowest optimized triplet geometries of both molecules are studied. 70 refs., 2 figs., 6 tabs.

  17. 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

  18. 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.

  19. 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.

  20. 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.

  1. Open Source Software

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

    Open Source Software Open Source Software All open source software available through the Laboratory is listed below. Contact thumbnail of Kathleen McDonald Head of Intellectual Property, Business Development Executive Kathleen McDonald Richard P. Feynman Center for Innovation (505) 667-5844 Email For more information regarding how to access software from Los Alamos, contact the Software Team. brulilo, Version 0.x brulilo is a Python package for building and evolving thermonuclear reaction

  2. 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.

  3. Recycling, Source Reduction,

    U.S. Energy Information Administration (EIA) Indexed Site

    ... Recovery and Electricity Generation" "(d)","Relative to National Average Landfill" "GREENHOUSE GAS EFFECTS OF RECYCLING, SOURCE REDUCING, AND COMPOSTING VARIOUS WASTE MATERIALS ...

  4. Beamlines | Advanced Photon Source

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

    Beamlines Beamlines Home Beamlines Directory Research Techniques Sectors Directory Status and Schedule Safety and Training Beamlines The Advanced Photon Source consists of 34...

  5. SOURCE SELECTION INFORMATION -

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

    SOURCE SELECTION INFORMATION - SEE FEDERAL ACQUISITION REGULATION (FAR) 2.101 AND 3.104 Department of Energy Washington, DC 20585 (enter date here, centered revised template...

  6. Overview | Advanced Photon Source

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

    APS Overview: Introduction APS Systems Map LINAC Booster Synchrotron Storage Ring Insertion Devices Experiment Hall LOMs & Beamlines Overview of the APS The Advanced Photon Source...

  7. 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,

  8. 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, San 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 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 . Native data to a resolution of 2.25 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.

  9. Radioisotopic heat source

    DOE Patents [OSTI]

    Jones, G.J.; Selle, J.E.; Teaney, P.E.

    1975-09-30

    Disclosed is a radioisotopic heat source and method for a long life electrical generator. The source includes plutonium dioxide shards and yttrium or hafnium in a container of tantalum-tungsten-hafnium alloy, all being in a nickel alloy outer container, and subjected to heat treatment of from about 1570$sup 0$F to about 1720$sup 0$F for about one h. (auth)

  10. PORTABLE SOURCE OF RADIOACTIVITY

    DOE Patents [OSTI]

    Goertz, R.C.; Ferguson, K.R.; Rylander, E.W.; Safranski, L.M.

    1959-06-16

    A portable source for radiogiaphy or radiotherapy is described. It consists of a Tl/sup 170/ or Co/sup 60/ source mounted in a rotatable tungsten alloy plug. The plug rotates within a brass body to positions of safety or exposure. Provision is made for reloading and carrying the device safely. (T.R.H.)

  11. 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.

  12. Photonic crystal light source

    DOE Patents [OSTI]

    Fleming, James G.; Lin, Shawn-Yu; Bur, James A.

    2004-07-27

    A light source is provided by a photonic crystal having an enhanced photonic density-of-states over a band of frequencies and wherein at least one of the dielectric materials of the photonic crystal has a complex dielectric constant, thereby producing enhanced light emission at the band of frequencies when the photonic crystal is heated. The dielectric material can be a metal, such as tungsten. The spectral properties of the light source can be easily tuned by modification of the photonic crystal structure and materials. The photonic crystal light source can be heated electrically or other heating means. The light source can further include additional photonic crystals that exhibit enhanced light emission at a different band of frequencies to provide for color mixing. The photonic crystal light source may have applications in optical telecommunications, information displays, energy conversion, sensors, and other optical applications.

  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. Proceedings of Office of Surface Mining Coal Combustion By-product Government/Regulatory Panel: University of Kentucky international ash utilization symposium

    SciTech Connect (OSTI)

    Vories, K.C.

    2003-07-01

    Short papers are given on: the Coal Combustion Program (C2P2) (J. Glenn); regional environmental concerns with disposal of coal combustion wastes at mines (T. FitzGerald); power plant waste mine filling - an environmental perspective (L.G. Evans); utility industry perspective regarding coal combustion product management and regulation (J. Roewer); coal combustion products opportunities for beneficial use (D.C. Goss); state perspective on mine placement of coal combustion by-products (G.E. Conrad); Texas regulations provide for beneficial use of coal combustion ash (S.S. Ferguson); and the Surface Mining Control and Reclamation Act - a response to concerns about placement of CCBs at coal mine sites (K.C. Vories). The questions and answers are also included.

  15. 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).

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

    SciTech Connect (OSTI)

    Burgasser, Adam J.; Gillon, Michal; 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 J104915.57531906.1AB (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.

  17. Microfabricated diffusion source

    DOE Patents [OSTI]

    Oborny, Michael C.; Frye-Mason, Gregory C.; Manginell, Ronald P.

    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.

  18. Tunable terahertz radiation source

    DOE Patents [OSTI]

    Boulaevskii, Lev; Feldmann, David M; Jia, Quanxi; Koshelev, Alexei; Moody, Nathan A

    2014-01-21

    Terahertz radiation source and method of producing terahertz radiation, said source comprising a junction stack, said junction stack comprising a crystalline material comprising a plurality of self-synchronized intrinsic Josephson junctions; an electrically conductive material in contact with two opposing sides of said crystalline material; and a substrate layer disposed upon at least a portion of both the crystalline material and the electrically-conductive material, wherein the crystalline material has a c-axis which is parallel to the substrate layer, and wherein the source emits at least 1 mW of power.

  19. CALUTRON ION SOURCE

    DOE Patents [OSTI]

    Lofgren, E.J.

    1959-02-17

    An improvement is described in ion source mechanisms whereby the source structure is better adapted to withstanid the ravages of heat, erosion, and deterioration concomitant with operation of an ion source of the calutron type. A pair of molybdenum plates define the exit opening of the arc chamber and are in thermal contact with the walls of the chamber. These plates are maintained at a reduced temperature by a pair of copper blocks in thermal conducting contact therewith to form subsequent diverging margins for the exit opening.

  20. Plasma Sources Sci. Technol.

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

    Sources Sci. Technol. 6 (1997) 492-498. Printed in the UK PII: S0963-0252(97)87196-4 Impurities, temperature and density ... about 10 eV of kinetic energy) away from the ...

  1. CALUTRON ION SOURCE

    DOE Patents [OSTI]

    Brobeck, W.M.

    1959-02-24

    An ion source is described wherein a portion of the filament serving as a cathode for the arc is protected from the effects of non-ionized particles escaping from the ionizing mechanism. In the described ion source, the source block has a gas chamber and a gas passage extending from said gas chamber to two adjacent faces of the source block. A plate overlies the passage and abuts one of the aforementioned block faces, while extending beyond the other face. In addition, the plate is apertured in line with the block passage. The filament overlies the aperture to effectively shield the portion of the filament not directiy aligned with the passage where the arc is produced.

  2. SOURCE SELECTION INFORMATION -

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

    an action described in Section 311 of P.L. 112-74 in excess of 1,000,000. This information is source selection information related to the conduct of a Federal agency...

  3. 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

  4. Photon Source Parameters

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

    Photon Source Parameters Photon Source Parameters Print Summary Graph of Brightness Curves for All Insertion Devices Insertion Device and Bend Magnet Parameters Bend Magnet Superbend Magnet U30 Undulator U50 Undulator U80 Undulator U100 Undulator W114 Wiggler The ALS has six elliptically polarizing undulators, two in straight 4, two in straight 11, and one each in straights 6 and 7. All are arranged with chicanes so that two such devices can be installed to feed two independent beamlines. They

  5. Source Selection Guide

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

    Chapter 15.1 1 Source Selection Overview This chapter provides guidance to the acquisition team on conducting source selection in accordance with Part 15 of the Federal Acquisition Regulation (FAR). Background The mid 1990's was a time of significant change in many areas of procurement, particularly in the introduction of new tools and processes that help the procurement professional better meet the needs of demanding customers. The passage of the Federal Acquisition Streamlining Act in 1994

  6. 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.

  7. 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.

  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. Field emission electron source

    DOE Patents [OSTI]

    Zettl, Alexander Karlwalter; Cohen, Marvin Lou

    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.

  10. HIGH VOLTAGE ION SOURCE

    DOE Patents [OSTI]

    Luce, J.S.

    1960-04-19

    A device is described for providing a source of molecular ions having a large output current and with an accelerated energy of the order of 600 kv. Ions are produced in an ion source which is provided with a water-cooled source grid of metal to effect maximum recombination of atomic ions to molecular ions. A very high accelerating voltage is applied to withdraw and accelerate the molecular ions from the source, and means are provided for dumping the excess electrons at the lowest possible potentials. An accelerating grid is placed adjacent to the source grid and a slotted, grounded accelerating electrode is placed adjacent to the accelerating grid. A potential of about 35 kv is maintained between the source grid and accelerating grid, and a potential of about 600 kv is maintained between the accelerating grid and accelerating electrode. In order to keep at a minimum the large number of oscillating electrons which are created when such high voltages are employed in the vicinity of a strong magnetic field, a plurality of high voltage cascaded shields are employed with a conventional electron dumping system being employed between each shield so as to dump the electrons at the lowest possible potential rather than at 600 kv.

  11. 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 Qumica e Bioqumica, Faculdade de Cincias, Universidade de Lisboa, 1749-016 Lisboa; Instituto de Fsica da Universidade de So Paulo, CP 66318, 05314-970 So 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 OH 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.

  12. Insights into photodissociation dynamics of acetaldehyde from ab initio calculations and molecular dynamics simulations

    SciTech Connect (OSTI)

    Chen Shilu; Fang Weihai

    2009-08-07

    In the present paper we report a theoretical study on mechanistic photodissociation of acetaldehyde (CH{sub 3}CHO). Stationary structures for H{sub 2} and CO eliminations in the ground state (S{sub 0}) have been optimized with density functional theory method, which is followed by the intrinsic reaction coordinate and ab initio molecular dynamics calculations to confirm the elimination mechanism. Equilibrium geometries, transition states, and intersection structures for the C-C and C-H dissociations in excited states were determined by the complete-active-space self-consistent field (CASSCF) method. Based on the CASSCF optimized structures, the potential energy profiles for the dissociations were refined by performing the single-point calculations using the multireference configuration interaction method. Upon the low-energy irradiation of CH{sub 3}CHO (265 nm<{lambda}<318 nm), the T{sub 1} C-C bond fission following intersystem crossing from the S{sub 1} state is the predominant channel and the minor channel, the ground-state elimination to CH{sub 4}+CO after internal conversion (IC) from S{sub 1} to S{sub 0}, could not be excluded. With the photon energy increasing, another pathway of IC, achieved via an S{sub 1}/S{sub 0} intersection point resulting from the S{sub 1} C-C bond fission, becomes accessible and increases the yield of CH{sub 4}+CO.

  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 μ{sub B}) and 33.3 meV (1.0 μ{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 atomistic thermodynamics study on the oxidation mechanism of binary and ternary alloy surfaces

    SciTech Connect (OSTI)

    Liu, Shi-Yu; Liu, Shiyang; Li, De-Jun; Wang, Sanwu; Guo, Jing; Shen, Yaogen

    2015-02-14

    Utilizing a combination of ab initio density-functional theory and thermodynamics formalism, we have established the microscopic mechanisms for oxidation of the binary and ternary alloy surfaces and provided a clear explanation for the experimental results of the oxidation. We construct three-dimensional surface phase diagrams (SPDs) for oxygen adsorption on three different Nb-X(110) (X = Ti, Al or Si) binary alloy surfaces. On the basis of the obtained SPDs, we conclude a general microscopic mechanism for the thermodynamic oxidation, that is, under O-rich conditions, a uniform single-phase SPD (type I) and a nonuniform double-phase SPD (type II) correspond to the sustained complete selective oxidation and the non-sustained partial selective oxidation by adding the X element, respectively. Furthermore, by revealing the framework of thermodynamics for the oxidation mechanism of ternary alloys through the comparison of the surface energies of two separated binary alloys, we provide an understanding for the selective oxidation behavior of the Nb ternary alloy surfaces. Using these general microscopic mechanisms, one could predict the oxidation behavior of any binary and multi-component alloy surfaces based on thermodynamics considerations.

  15. Ab initio many-body calculations of nucleon-4He scattering with three-nucleon forces

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

    Hupin, Guillaume; Langhammer, Joachim; Navratil, Petr; Quaglioni, Sofia; Calci, Angelo; Roth, Robert

    2013-11-27

    We extend the ab initio no-core shell model/resonating-group method to include three-nucleon (3N) interactions for the description of nucleon-nucleus collisions. We outline the formalism, give algebraic expressions for the 3N-force integration kernels, and discuss computational aspects of two alternative implementations. The extended theoretical framework is then applied to nucleon-4He elastic scattering using similarity-renormalization-group (SRG)-evolved nucleon-nucleon plus 3N potentials derived from chiral effective field theory. We analyze the convergence properties of the calculated phase shifts and explore their dependence upon the SRG evolution parameter. We include up to six excited states of the 4He target and find significant effects from themore » inclusion of the chiral 3N force, e.g., it enhances the spin-orbit splitting between the 3/2– and 1/2– resonances and leads to an improved agreement with the phase shifts obtained from an accurate R-matrix analysis of the five-nucleon experimental data. As a result, we find remarkably good agreement with measured differential cross sections at various energies below the d+3H threshold, while analyzing powers manifest larger deviations from experiment for certain energies and angles.« less

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

    SciTech Connect (OSTI)

    Matthew Neurock

    2002-09-11

    As the US seeks to develop an energy strategy that reduces the reliance on foreign oil, there is a renewed interest in research and development of the Fischer Tropsch synthesis of converting syngas into long chain hydrocarbon products. This report investigates some of the basic elementary steps for Fischer-Tropsch synthesis over ideal Co and Ru metal surfaces by using ab initio density functional theoretical calculations. This includes activation of CO of CO, the hydrogenation of CH{sub x} intermediates, and the adsorption and dissociation of water. The activation of CO is studied in detail showing a strong dependence on the surface coverage, defect sites and Co-Ru alloy formation. The barriers for CO activation over the ideal (0001) surfaces are quite high making CO activation at the terrace sites unlikely under operating conditions. The calculations for the overall reaction energies at the step edges indicate that these sites are much more reactive. The hydrogenation of the CHx intermediates occurs in a sequential fashion. CH1 was found to be the most stable intermediate over various surfaces. The barriers to form both CH* as well as CH{sub 4} are both found to be highly activated and potentially difficult steps. Water which is a reaction product was found to be weakly adsorbed on Co. Analysis of the microscopic reverse reaction of water activation indicates that this process has a very low activation barrier. Consequently, any water which forms desorbs or is activated to form surface hydroxyl intermediates.

  17. 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.

  18. Infrared signature of micro-hydration in the organophosphate sarin: An ab initio study

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

    Alam, Todd M.; Pearce, Charles Joseph

    2015-06-28

    The infrared (IR) spectra of micro-hydrated Sarin•(H2O)n clusters containing between one and four explicit waters have been studied using ab initio density functional theory (DFT) methods. The phosphate group P=O bond vibration region (~1270 to 1290 cm–1) revealed the largest frequency variation with hydration, with a frequency red shift reflecting the direct hydrogen bond formation between the P=O of Sarin and water. Small variations to the P-F stretch (~810 to 815 cm–1) and the C-O-P vibrational modes (~995 to 1004 cm–1) showed that the water interactions with these functional groups were minor, and that the structures of Sarin were notmore » extensively perturbed in the hydrated complexes. Increasing the number of explicit hydration waters produced only small vibrational changes in the lowest free energy complexes. These minor changes were consistent with a single water-phosphate hydrogen bond being the dominant structure, though a second water-phosphate hydrogen bond was observed in some complexes and was identified by an additional red shift of the P=O bond vibration. As a result, the H2O•H2O vibrational modes (~3450 to 3660 cm–1) increased in complexity with higher hydration levels and reflect the extended hydrogen bonding networks formed between the explicit waters in the hydrated Sarin clusters.« less

  19. 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.

  20. 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 57?. The internal surface of a microvoid is found to be decorated with 49 hydrogen atoms in the form of monohydride SiH configurations as observed in nuclear magnetic resonance experiments. The microstructure consists of (0.91.4)% hydrogen molecules of total hydrogen in the networks. These observations are consistent with the outcome of infrared spectroscopy, nuclear magnetic resonance, and calorimetry experiments.

  1. 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.

  2. 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.

  3. Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment

    SciTech Connect (OSTI)

    Liu, Hanchao; Wang, Yimin; Bowman, Joel M.

    2015-05-21

    The calculation and characterization of the IR spectrum of liquid water have remained a challenge for theory. In this paper, we address this challenge using a combination of ab initio approaches, namely, a quantum treatment of IR spectrum using the ab initio WHBB water potential energy surface and a refined ab initio dipole moment surface. The quantum treatment is based on the embedded local monomer method, in which the three intramolecular modes of each embedded H{sub 2}O monomer are fully coupled and also coupled singly to each of six intermolecular modes. The new dipole moment surface consists of a previous spectroscopically accurate 1-body dipole moment surface and a newly fitted ab initio intrinsic 2-body dipole moment. A detailed analysis of the new dipole moment surface in terms of the coordinate dependence of the effective atomic charges is done along with tests of it for the water dimer and prism hexamer double-harmonic spectra against direct ab initio calculations. The liquid configurations are taken from previous molecular dynamics calculations of Skinner and co-workers, using the TIP4P plus E3B rigid monomer water potential. The IR spectrum of water at 300 K in the range of 0–4000 cm{sup −1} is calculated and compared with experiment, using the ab initio WHBB potential and new ab initio dipole moment, the q-TIP4P/F potential, which has a fixed-charged description of the dipole moment, and the TTM3-F potential and dipole moment surfaces. The newly calculated ab initio spectrum is in very good agreement with experiment throughout the above spectral range, both in band positions and intensities. This contrasts to results with the other potentials and dipole moments, especially the fixed-charge q-TIP4P/F model, which gives unrealistic intensities. The calculated ab initio spectrum is analyzed by examining the contribution of various transitions to each band.

  4. Spectroscopic signatures of AA' and AB stacking of chemical vapor deposited bilayer MoS2

    SciTech Connect (OSTI)

    Xia, Ming; Li, Bo; Yin, Kuibo; Capellini, Giovanni; Niu, Gang; Gong, Yongji; Zhou, Wu; Ajayan, Pulickel M.; Xie, Ya -Hong

    2015-11-04

    We discuss prominent resonance Raman and photoluminescence spectroscopic differences between AA'and AB stacked bilayer molybdenum disulfide (MoS2) grown by chemical vapor deposition are reported. Bilayer MoS2 islands consisting of the two stacking orders were obtained under identical growth conditions. Also, resonance Raman and photoluminescence spectra of AA' and AB stacked bilayer MoS2 were obtained on Au nanopyramid surfaces under strong plasmon resonance. Both resonance Raman and photoluminescence spectra show distinct features indicating clear differences in interlayer interaction between these two phases. The implication of these findings on device applications based on spin and valley degrees of freedom.

  5. Electronic and thermoelectric properties of InN studied using ab initio density functional theory and Boltzmann transport calculations

    SciTech Connect (OSTI)

    Borges, P. D. E-mail: lscolfaro@txstate.edu; Scolfaro, L. E-mail: lscolfaro@txstate.edu

    2014-12-14

    The thermoelectric properties of indium nitride in the most stable wurtzite phase (w-InN) as a function of electron and hole concentrations and temperature were studied by solving the semiclassical Boltzmann transport equations in conjunction with ab initio electronic structure calculations, within Density Functional Theory. Based on maximally localized Wannier function basis set and the ab initio band energies, results for the Seebeck coefficient are presented and compared with available experimental data for n-type as well as p-type systems. Also, theoretical results for electric conductivity and power factor are presented. Most cases showed good agreement between the calculated properties and experimental data for w-InN unintentionally and p-type doped with magnesium. Our predictions for temperature and concentration dependences of electrical conductivity and power factor revealed a promising use of InN for intermediate and high temperature thermoelectric applications. The rigid band approach and constant scattering time approximation were utilized in the calculations.

  6. 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.

  7. Weak interactions in Graphane/BN systems under static electric fields—A periodic ab-initio study

    SciTech Connect (OSTI)

    Steinkasserer, Lukas Eugen Marsoner; Gaston, Nicola; Paulus, Beate

    2015-04-21

    Ab-initio calculations via periodic Hartree-Fock (HF) and local second-order Møller-Plesset perturbation theory (LMP2) are used to investigate the adsorption properties of combined Graphane/boron nitride systems and their response to static electric fields. It is shown how the latter can be used to alter both structural as well as electronic properties of these systems.

  8. COASTING ARC ION SOURCE

    DOE Patents [OSTI]

    Foster, J.S. Jr.

    1957-09-10

    An improved ion source is described and in particular a source in which the ions are efficiently removed. The plasma is generated in a tubular amode structure by the oscillation of electrons in an axial magnetic field, as in the Phillips Ion Gage. The novel aspect of the source is the expansion of the plasma as it leaves the anode structure, so as to reduce the ion density at the axis of the anode and present a uniform area of plasma to an extraction grid. The structure utilized in the present patent to expand the plasma comprises flange members of high permeability at the exitgrid end of the amode to diverge the magnetic field adjacent the exit.

  9. Dual source heat pump

    DOE Patents [OSTI]

    Ecker, Amir L.; Pietsch, Joseph A.

    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.

  10. Intense fusion neutron sources

    SciTech Connect (OSTI)

    Kuteev, B. V.; Goncharov, P. R.; Sergeev, V. Yu.; Khripunov, V. I.

    2010-04-15

    The review describes physical principles underlying efficient production of free neutrons, up-to-date possibilities and prospects of creating fission and fusion neutron sources with intensities of 10{sup 15}-10{sup 21} neutrons/s, and schemes of production and application of neutrons in fusion-fission hybrid systems. The physical processes and parameters of high-temperature plasmas are considered at which optimal conditions for producing the largest number of fusion neutrons in systems with magnetic and inertial plasma confinement are achieved. The proposed plasma methods for neutron production are compared with other methods based on fusion reactions in nonplasma media, fission reactions, spallation, and muon catalysis. At present, intense neutron fluxes are mainly used in nanotechnology, biotechnology, material science, and military and fundamental research. In the near future (10-20 years), it will be possible to apply high-power neutron sources in fusion-fission hybrid systems for producing hydrogen, electric power, and technological heat, as well as for manufacturing synthetic nuclear fuel and closing the nuclear fuel cycle. Neutron sources with intensities approaching 10{sup 20} neutrons/s may radically change the structure of power industry and considerably influence the fundamental and applied science and innovation technologies. Along with utilizing the energy produced in fusion reactions, the achievement of such high neutron intensities may stimulate wide application of subcritical fast nuclear reactors controlled by neutron sources. Superpower neutron sources will allow one to solve many problems of neutron diagnostics, monitor nano-and biological objects, and carry out radiation testing and modification of volumetric properties of materials at the industrial level. Such sources will considerably (up to 100 times) improve the accuracy of neutron physics experiments and will provide a better understanding of the structure of matter, including that of the neutron itself.

  11. FABRICATION OF NEUTRON SOURCES

    DOE Patents [OSTI]

    Birden, J.H.

    1959-04-21

    A method is presented for preparing a neutron source from polonium-210 and substances, such as beryllium and boron, characterized by emission of neutrons upon exposure to alpha particles from the polonium. According to the invention, a source is prepared by placing powdered beryllium and a platinum foil electroplated with polonium-2;.0 in a beryllium container. The container is sealed and then heated by induction to a temperature of 450 to 1100 deg C to volatilize the polonium off the foil into the powder. The heating step is terminated upon detection of a maximum in the neutron flux level.

  12. OLED area illumination source

    DOE Patents [OSTI]

    Foust, Donald Franklin; Duggal, Anil Raj; Shiang, Joseph John; Nealon, William Francis; Bortscheller, Jacob Charles

    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.

  13. Comparison of AB2588 multipathway risk factors for California fossil-fuel power stations

    SciTech Connect (OSTI)

    Gratt, L.B.; Levin, L.

    1997-12-31

    Substances released from power plants may travel through various exposure pathways resulting in human health and environmental risks. The stack air emission`s primary pathway is inhalation from the ambient air. Multipathway factors (adjustment factors to the inhalation risk) are used to evaluate the importance of non-inhalation pathways (such as ingestion and dermal contact). The multipathway factor for a specific substance is the health risk by all pathways divided by the inhalation health risk for that substance. These factors are compared for fossil fuel power stations that submitted regulatory risk assessments in compliance with California Toxic Hot Spots Act (AB2588). Substances representing the largest contributions to the cancer risk are of primary concern: arsenic, beryllium, cadmium, chromium (+6), formaldehyde, nickel, lead, selenium, and PAHs. Comparisons of the chemical-specific multipathway factors show the impacts of regulatory policy decisions on the estimated health risk for trace substances. As an example, point estimates of the soil mixing depth, varying from 1 cm to 15 cm, relate to the relative importance of the pathway. For the deeper mixing depths, the root-zone uptake by homegrown tomato plants (for assumed consumption rate of 15% for San Diego) may result in high multipathway factors for several trace metals. For shallower mixing depths, soil ingestion may become the dominant non-inhalation pathway. These differences may lead to significantly different risk estimates for similar facilities located at different California locations such as to be under local regulatory authorities. The overall multipathway factor for the total cancer risk is about 2, much smaller than some of the chemical-specific factors. Science-based multipathway analysis should reduce much of the concern that may be due to policy-based decisions on pathway selection and high-value point-estimates of the parameters.

  14. 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.

  15. Infrared signature of micro-hydration in the organophosphate sarin: An ab initio study

    SciTech Connect (OSTI)

    Alam, Todd M.; Pearce, Charles Joseph

    2015-06-28

    The infrared (IR) spectra of micro-hydrated Sarin•(H2O)n clusters containing between one and four explicit waters have been studied using ab initio density functional theory (DFT) methods. The phosphate group P=O bond vibration region (~1270 to 1290 cm–1) revealed the largest frequency variation with hydration, with a frequency red shift reflecting the direct hydrogen bond formation between the P=O of Sarin and water. Small variations to the P-F stretch (~810 to 815 cm–1) and the C-O-P vibrational modes (~995 to 1004 cm–1) showed that the water interactions with these functional groups were minor, and that the structures of Sarin were not extensively perturbed in the hydrated complexes. Increasing the number of explicit hydration waters produced only small vibrational changes in the lowest free energy complexes. These minor changes were consistent with a single water-phosphate hydrogen bond being the dominant structure, though a second water-phosphate hydrogen bond was observed in some complexes and was identified by an additional red shift of the P=O bond vibration. As a result, the H2O•H2O vibrational modes (~3450 to 3660 cm–1) increased in complexity with higher hydration levels and reflect the extended hydrogen bonding networks formed between the explicit waters in the hydrated Sarin clusters.

  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 Ohios 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. CALUTRON ION SOURCE

    DOE Patents [OSTI]

    Oppenheimer, F.F.

    1959-06-01

    A shielding arrangement for eliminating oscillating electrons in the ion source region of calutrons is offered. Metal plates are attached to the ion generator so as to intercept the magnetic field between ion generator and accelerating electrode. The oscillating electrons are discharged on the plates. (T.R.H.)

  18. 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.

  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. Selective ion source

    DOE Patents [OSTI]

    Leung, Ka-Ngo

    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.

  1. 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.

  2. 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....

  3. 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...

  4. Strategic Sourcing | Department of Energy

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

    Federal Strategic Sourcing Initiative (FSSI) Strategic Sourcing on Powerpedia Supply Chain Management on Powerpedia Acquisition Vehicles DOE Federal & Eligible Contractor Use ...

  5. Filtered cathodic arc source

    DOE Patents [OSTI]

    Falabella, Steven; Sanders, David M.

    1994-01-01

    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. 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.

  6. 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.

  7. 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.

  8. Calibrated vapor generator source

    DOE Patents [OSTI]

    Davies, John P.; Larson, Ronald A.; Goodrich, Lorenzo D.; Hall, Harold J.; Stoddard, Billy D.; Davis, Sean G.; Kaser, Timothy G.; Conrad, Frank J.

    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.

  9. Voltage controlled current source

    DOE Patents [OSTI]

    Casne, Gregory M.

    1992-01-01

    A seven decade, voltage controlled current source is described for use in testing intermediate range nuclear instruments that covers the entire test current range of from 10 picoamperes to 100 microamperes. High accuracy is obtained throughout the entire seven decades of output current with circuitry that includes a coordinated switching scheme responsive to the input signal from a hybrid computer to control the input voltage to an antilog amplifier, and to selectively connect a resistance to the antilog amplifier output to provide a continuous output current source as a function of a preset range of input voltage. An operator controlled switch provides current adjustment for operation in either a real-time simulation test mode or a time response test mode.

  10. Evaluated teletherapy source library

    DOE Patents [OSTI]

    Cox, Lawrence J.; Schach Von Wittenau, Alexis E.

    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.

  11. Ab Initio Kinetics and Thermal Decomposition Mechanism of Mononitrobiuret and 1,5- Dinitrobiuret

    SciTech Connect (OSTI)

    Sun, Hongyan; Vaghjiani, Ghanshyam G.

    2015-05-26

    Mononitrobiuret (MNB) and 1,5-dinitrobiuret (DNB) are tetrazole-free, nitrogen-rich, energetic compounds. For the first time, a comprehensive ab initio kinetics study on the thermal decomposition mechanisms of MNB and DNB is reported here. In particular, the intramolecular interactions of amine H-atom with electronegative nitro O-atom and carbonyl O-atom have been analyzed for biuret, MNB, and DNB at the M06-2X/aug-cc-pVTZ level of theory. The results show that the MNB and DNB molecules are stabilized through six-member-ring moieties via intramolecular H-bonding with interatomic distances between 1.8 and 2.0 , due to electrostatic as well as polarization and dispersion interactions. Furthermore, it was found that the stable molecules in the solid state have the smallest dipole moment amongst all the conformers in the nitrobiuret series of compounds, thus revealing a simple way for evaluating reactivity of fuel conformers. The potential energy surface for thermal decomposition of MNB was characterized by spin restricted coupled cluster theory at the RCCSD(T)/cc-pV? Z//M06-2X/aug-cc-pVTZ level. It was found that the thermal decomposition of MNB is initiated by the elimination of HNCO and HNN(O)OH intermediates. Intramolecular transfer of a H-atom, respectively, from the terminal NH2 group to the adjacent carbonyl O-atom via a six-member-ring transition state eliminates HNCO with an energy barrier of 35 kcal/mol and from the central NH group to the adjacent nitro O-atom eliminates HNN(O)OH with an energy barrier of 34 kcal/mol. Elimination of HNN(O)OH is also the primary process involved in the thermal decomposition of DNB, which processes C2v symmetry. The rate coefficients for the primary decomposition channels for MNB and DNB were quantified as functions of temperature and pressure. In addition, the thermal decomposition of HNN(O)OH was analyzed via RiceRamspergerKasselMarcus/multi-well master equation simulations, the results of which reveal the formation of (NO2 + H2O) to be the major decomposition path. Furthermore, we provide fundamental interpretations for the experimental results of Klaptke et al. [Combust. Flame 139, 358366 (2004)] regarding the thermal stability of MNB and DNB, and their decomposition products. Notably, a fundamental understanding of fuel stability, decomposition mechanism, and key reactions leading to ignition is essential in the design and manipulation of molecular systems for the development of new energetic materials for advanced propulsion applications.

  12. Ab initio kinetics and thermal decomposition mechanism of mononitrobiuret and 1,5-dinitrobiuret

    SciTech Connect (OSTI)

    Sun, Hongyan E-mail: ghanshyam.vaghjiani@us.af.mil; Vaghjiani, Ghanshyam L. E-mail: ghanshyam.vaghjiani@us.af.mil

    2015-05-28

    Mononitrobiuret (MNB) and 1,5-dinitrobiuret (DNB) are tetrazole-free, nitrogen-rich, energetic compounds. For the first time, a comprehensive ab initio kinetics study on the thermal decomposition mechanisms of MNB and DNB is reported here. In particular, the intramolecular interactions of amine H-atom with electronegative nitro O-atom and carbonyl O-atom have been analyzed for biuret, MNB, and DNB at the M06-2X/aug-cc-pVTZ level of theory. The results show that the MNB and DNB molecules are stabilized through six-member-ring moieties via intramolecular H-bonding with interatomic distances between 1.8 and 2.0 , due to electrostatic as well as polarization and dispersion interactions. Furthermore, it was found that the stable molecules in the solid state have the smallest dipole moment amongst all the conformers in the nitrobiuret series of compounds, thus revealing a simple way for evaluating reactivity of fuel conformers. The potential energy surface for thermal decomposition of MNB was characterized by spin restricted coupled cluster theory at the RCCSD(T)/cc-pV? Z//M06-2X/aug-cc-pVTZ level. It was found that the thermal decomposition of MNB is initiated by the elimination of HNCO and HNN(O)OH intermediates. Intramolecular transfer of a H-atom, respectively, from the terminal NH{sub 2} group to the adjacent carbonyl O-atom via a six-member-ring transition state eliminates HNCO with an energy barrier of 35 kcal/mol and from the central NH group to the adjacent nitro O-atom eliminates HNN(O)OH with an energy barrier of 34 kcal/mol. Elimination of HNN(O)OH is also the primary process involved in the thermal decomposition of DNB, which processes C{sub 2v} symmetry. The rate coefficients for the primary decomposition channels for MNB and DNB were quantified as functions of temperature and pressure. In addition, the thermal decomposition of HNN(O)OH was analyzed via RiceRamspergerKasselMarcus/multi-well master equation simulations, the results of which reveal the formation of (NO{sub 2} + H{sub 2}O) to be the major decomposition path. Furthermore, we provide fundamental interpretations for the experimental results of Klaptke et al. [Combust. Flame 139, 358366 (2004)] regarding the thermal stability of MNB and DNB, and their decomposition products. Notably, a fundamental understanding of fuel stability, decomposition mechanism, and key reactions leading to ignition is essential in the design and manipulation of molecular systems for the development of new energetic materials for advanced propulsion applications.

  13. FABRICATION OF NEUTRON SOURCES

    DOE Patents [OSTI]

    Birden, J.H.

    1959-01-20

    A method is presented for preparing a more efficient neutron source comprising inserting in a container a quantity of Po-210, inserting B powder coated with either Ag, Pt, or Ni. The container is sealed and then slowly heated to about 450 C to volatilize the Po and effect combination of the coated powder with the Po. The neutron flux emitted by the unit is moritored and the heating step is terminated when the flux reaches a maximum or selected level.

  14. 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.

  15. SOURCE SELECTION INFORMATION -

    Energy Savers [EERE]

    SOURCE SELECTION INFORMATION - SEE FEDERAL ACQUISITION REGULATION (FAR) 2.101 AND 3.104 Department of Energy Washington, DC 20585 (enter date here, centered revised template April 26, 2013) The Honorable Harold Rogers The Honorable Barbara A. Mikulski Chairman, Committee on Appropriations Chairwoman, Committee on Appropriations U.S. House of Representatives U.S. Senate Washington, DC 20515 Washington, DC 20510 The Honorable Rodney P. Frelinghuysen The Honorable Dianne Feinstein Chairman,

  16. Greenhouse Gas Source Attribution

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

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

  17. 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.

  18. Advanced Light Source

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

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

  19. Capillary discharge source

    DOE Patents [OSTI]

    Bender, III, Howard Albert

    2003-11-25

    Debris generation from an EUV electric discharge plasma source device can be significantly reduced or essentially eliminated by encasing the electrodes with dielectric or electrically insulating material so that the electrodes are shielded from the plasma, and additionally by providing a path for the radiation to exit wherein the electrodes are not exposed to the area where the radiation is collected. The device includes: (a) a body, which is made of an electrically insulating material, that defines a capillary bore that has a proximal end and a distal end and that defines at least one radiation exit; (b) a first electrode that defines a first channel that has a first inlet end that is connected to a source of gas and a first outlet end that is in communication with the capillary bore, wherein the first electrode is positioned at the distal end of the capillary bore; (c) a second electrode that defines a second channel that has a second inlet end that is in communication with the capillary bore and an outlet end, wherein the second electrode is positioned at the proximal end of the capillary bore; and (d) a source of electric potential that is connected across the first and second electrodes, wherein radiation generated within the capillary bore is emitted through the at least one radiation exit and wherein the first electrode and second electrode are shielded from the emitted radiation.

  20. 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.

  1. Negative ion source

    DOE Patents [OSTI]

    Delmore, James E.

    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.

  2. Open-Source GIS

    SciTech Connect (OSTI)

    Vatsavai, Raju; Burk, Thomas E; Lime, Steve

    2012-01-01

    The components making up an Open Source GIS are explained in this chapter. A map server (Sect. 30.1) can broadly be defined as a software platform for dynamically generating spatially referenced digital map products. The University of Minnesota MapServer (UMN Map Server) is one such system. Its basic features are visualization, overlay, and query. Section 30.2 names and explains many of the geospatial open source libraries, such as GDAL and OGR. The other libraries are FDO, JTS, GEOS, JCS, MetaCRS, and GPSBabel. The application examples include derived GIS-software and data format conversions. Quantum GIS, its origin and its applications explained in detail in Sect. 30.3. The features include a rich GUI, attribute tables, vector symbols, labeling, editing functions, projections, georeferencing, GPS support, analysis, and Web Map Server functionality. Future developments will address mobile applications, 3-D, and multithreading. The origins of PostgreSQL are outlined and PostGIS discussed in detail in Sect. 30.4. It extends PostgreSQL by implementing the Simple Feature standard. Section 30.5 details the most important open source licenses such as the GPL, the LGPL, the MIT License, and the BSD License, as well as the role of the Creative Commons.

  3. Energy Sources | Department of Energy

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

    Sources Energy Sources Renewable Energy Renewable Energy Learn more about energy from solar, wind, water, geothermal and biomass. Read more Nuclear Nuclear Learn more about how we use nuclear energy. Read more Electricity Electricity Learn more about how we use electricity as an energy source. Read more Fossil Fossil Learn more about our fossil energy sources: coal, oil and natural gas. Read more Primary energy sources take many forms, including nuclear energy, fossil energy -- like oil, coal

  4. 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.

  5. 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}.

  6. Ab-initio study of high temperature lattice dynamics of BCC zirconium (β-Zr) and uranium (γ-U)

    SciTech Connect (OSTI)

    Ghosh, Partha S. Arya, A. Dey, G. K.

    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 β-Zr match excellently with experimental PDC. But the calculated PDC for γ-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.

  7. Photon Source Parameters

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

    Photon Source Parameters Print Summary Graph of Brightness Curves for All Insertion Devices Insertion Device and Bend Magnet Parameters Bend Magnet Superbend Magnet U30 Undulator U50 Undulator U80 Undulator U100 Undulator W114 Wiggler The ALS has six elliptically polarizing undulators, two in straight 4, two in straight 11, and one each in straights 6 and 7. All are arranged with chicanes so that two such devices can be installed to feed two independent beamlines. They can be used in a variety

  8. Photon Source Parameters

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

    Photon Source Parameters Print Summary Graph of Brightness Curves for All Insertion Devices Insertion Device and Bend Magnet Parameters Bend Magnet Superbend Magnet U30 Undulator U50 Undulator U80 Undulator U100 Undulator W114 Wiggler The ALS has six elliptically polarizing undulators, two in straight 4, two in straight 11, and one each in straights 6 and 7. All are arranged with chicanes so that two such devices can be installed to feed two independent beamlines. They can be used in a variety

  9. Photon Source Parameters

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

    Photon Source Parameters Print Summary Graph of Brightness Curves for All Insertion Devices Insertion Device and Bend Magnet Parameters Bend Magnet Superbend Magnet U30 Undulator U50 Undulator U80 Undulator U100 Undulator W114 Wiggler The ALS has six elliptically polarizing undulators, two in straight 4, two in straight 11, and one each in straights 6 and 7. All are arranged with chicanes so that two such devices can be installed to feed two independent beamlines. They can be used in a variety

  10. Photon Source Parameters

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

    Photon Source Parameters Print Summary Graph of Brightness Curves for All Insertion Devices Insertion Device and Bend Magnet Parameters Bend Magnet Superbend Magnet U30 Undulator U50 Undulator U80 Undulator U100 Undulator W114 Wiggler The ALS has six elliptically polarizing undulators, two in straight 4, two in straight 11, and one each in straights 6 and 7. All are arranged with chicanes so that two such devices can be installed to feed two independent beamlines. They can be used in a variety

  11. Photon Source Parameters

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

    Photon Source Parameters Print Summary Graph of Brightness Curves for All Insertion Devices Insertion Device and Bend Magnet Parameters Bend Magnet Superbend Magnet U30 Undulator U50 Undulator U80 Undulator U100 Undulator W114 Wiggler The ALS has six elliptically polarizing undulators, two in straight 4, two in straight 11, and one each in straights 6 and 7. All are arranged with chicanes so that two such devices can be installed to feed two independent beamlines. They can be used in a variety

  12. Photon Source Parameters

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

    Photon Source Parameters Print Summary Graph of Brightness Curves for All Insertion Devices Insertion Device and Bend Magnet Parameters Bend Magnet Superbend Magnet U30 Undulator U50 Undulator U80 Undulator U100 Undulator W114 Wiggler The ALS has six elliptically polarizing undulators, two in straight 4, two in straight 11, and one each in straights 6 and 7. All are arranged with chicanes so that two such devices can be installed to feed two independent beamlines. They can be used in a variety

  13. Variable leak gas source

    DOE Patents [OSTI]

    Henderson, Timothy M.; Wuttke, Gilbert H.

    1977-01-01

    A variable leak gas source and a method for obtaining the same which includes filling a quantity of hollow glass micro-spheres with a gas, storing said quantity in a confined chamber having a controllable outlet, heating said chamber above room temperature, and controlling the temperature of said chamber to control the quantity of gas passing out of said controllable outlet. Individual gas filled spheres may be utilized for calibration purposes by breaking a sphere having a known quantity of a known gas to calibrate a gas detection apparatus.

  14. 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.

  15. Ga-67 vs In-111-DTPA-anti-p97 monoclonal antibody (MoAb) for scintigraphic detection of metastatic melanoma

    SciTech Connect (OSTI)

    Neumann, R.D.; Kirkwood, J.M.; Zoghbi, S.S.; Ernstoff, M.S.; Cornelius, E.A.; Hoffer, P.B.; Gottschalk, A.

    1985-05-01

    The authors have initiated a prospective comparative evaluation of tomographic (Pho/Con) Ga-67 (10 mCi) scintigraphy versus computerized gamma camera radioimmunoscintigraphy using anti-p97 murine MoAb (5 mCi In-111-DTPA conjugated to 1 mg MoAb + 19 mgs ''cold'' MoAb) for detection of metastatic melanoma. To date 9 patients have had both a Ga-67 scan and an anti-p97 MoAb study within a 1 month interval. The 9 patients had 45 known sites of disease greater than 1 cm minimum diameter, located in skin, soft tissue, and/or viscea. In-111-anti-p97 scans were done 72 hrs after i.v. administration of the radiolabeled MoAb mixed together with the ''cold'' carrier MoAb. Ga-67 scans were done 48-72 hrs after injection. MoAb scans detected 30/45 known sites (sensitivity=67%) while the Ga-67 scans found 29/45 of these known sites (sensitivity=64%). Heterogeneity of metastases was evident with the detection of partly overlapping subsets of metastases by the two techniques, i.e. some mets were localized with both techniques while other mets were detected by only one of the two methods. Combined detection with both techniques improved sensitivity from 64-67% to 91%. These preliminary data suggest: 1) comparable sensitivities for Ga-67 and In-111-DTPA anti-p97 scans, 2) heterogeneity of metastases with regard to the localization of these two agents, and 3) improved sensitivity by combining both techniques.

  16. Manhattan Project: Sources and Notes

    Office of Scientific and Technical Information (OSTI)

    SOURCES AND NOTES Resources > Sources Below are the collected specific notes for the text and images used on the pages of this web site. For a discussion of the most important works on the Manhattan Project, see the "Suggested Readings." For a general discussion of the use of sources in this web site, see "A Note on Sources." To scan the sources and notes for various categories, choose from the list below. To view the sources and notes for a specific web page, see the

  17. Production of monoclonal antibody (MoAB) CS-1 against platelet glycoprotein IIb-IIIa (GP IIb-IIIa)

    SciTech Connect (OSTI)

    Ramsamooj, P.; Morris, M.; Doellgast, G.; Hantgan, R.

    1987-05-01

    Platelet aggregation is mediated by the binding of fibrinogen (FGN) to the platelet GP IIb-IIIa complex. Receptor complex was purified from a solubilized platelet membrane fraction followed by lentil-lectin affinity chromatography and gel filtration. SDS-PAGE showed the product to be the complex, GP IIb-IIIa; light scattering intensity measurements indicated a Ca/sup 2 +/-dependent complex of the appropriate MW. Purified complex was then used to raise antibodies in Balb-c mice by standard hybridoma technology; positive cells were found by ELISA enabling the detection of antibody concentrations as low as 3 ng/ml. The MoABs were purified from both culture supernatant and ascites fluid by ion exchange and protein-A affinity chromatography. Western blotting determined that CS-1 is specific for nonreduced GP IIIa but not reduced GP IIIa or any form of GP IIb. CS-1 inhibited binding of radiolabeled FGN to ADP-stimulated platelets by 40-50% over a concentration range of 5-70 ..mu..g/ml. Flow cytometric analysis confirmed that CS-1 recognized a protein on the surface of both resting and stimulated platelets. The determined specificity of CS-1 and its limited ability to inhibit FGN binding to platelets make this MoAB useful for analysis of the structural and functional relationships between fibrin(ogen) and GP IIb-IIIa.

  18. Verification of Anderson superexchange in MnO via magnetic pair distribution function analysis and ab initio theory

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

    Benjamin A. Frandsen; Brunelli, Michela; Page, Katharine; Uemura, Yasutomo J.; Staunton, Julie B.; Billinge, Simon J. L.

    2016-05-11

    Here, we present a temperature-dependent atomic and magnetic pair distribution function (PDF) analysis of neutron total scattering measurements of antiferromagnetic MnO, an archetypal strongly correlated transition-metal oxide. The known antiferromagnetic ground-state structure fits the low-temperature data closely with refined parameters that agree with conventional techniques, confirming the reliability of the newly developed magnetic PDF method. The measurements performed in the paramagnetic phase reveal significant short-range magnetic correlations on a ~1 nm length scale that differ substantially from the low-temperature long-range spin arrangement. Ab initio calculations using a self-interaction-corrected local spin density approximation of density functional theory predict magnetic interactions dominatedmore » by Anderson superexchange and reproduce the measured short-range magnetic correlations to a high degree of accuracy. Further calculations simulating an additional contribution from a direct exchange interaction show much worse agreement with the data. Furthermore, the Anderson superexchange model for MnO is thus verified by experimentation and confirmed by ab initio theory.« less

  19. Fortran 90 Source Module

    Energy Science and Technology Software Center (OSTI)

    1998-01-13

    A major advance contained in the new Fortran 90 language standard is the ability to define new data types and the operators associated with them. Writing computer code to implement computations with real and complex three domensional vectors and dyadics is greatly simplified if the equations can be implemented directly, without the need to code the vector arithmetic explicitly. The Fortran 90 module VECTORS contains source code which defines new data types for real andmore » complex 3-dimensional vectors and dyadics, along with the common operations needed to work with these objects. Routines to allow convenient initalization and output of the new types are also included. in keeping with the philosophy of data abstraction, the details of the implementation of the data types are maintained private, and the functions and operators are made generic to simplify the combining of real, complex, single and double precision vectors and dyadics.« less

  20. Thulium-170 heat source

    DOE Patents [OSTI]

    Walter, Carl E.; Van Konynenburg, Richard; VanSant, James H.

    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.

  1. Multiple source heat pump

    DOE Patents [OSTI]

    Ecker, Amir L.

    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.

  2. PULSED ION SOURCE

    DOE Patents [OSTI]

    Anderson, C.E.; Ehlers, K.W.

    1958-06-17

    An ion source is described for producing very short high density pulses of ions without bcam scattering. The ions are created by an oscillating electron discharge within a magnetic field. After the ions are drawn from the ionization chamber by an accelerating electrode the ion beam is under the influence of the magnetic field for separation of the ions according to mass and, at the same time, passes between two neutralizing plntes maintained nt equal negative potentials. As the plates are formed of a material having a high ratio of secondary electrons to impinging ions, the ion bombardment of the plntes emits electrons which neutralize the frirge space-charge of the beam and tend to prevent widening of the beam cross section due to the mutual repulsion of the ions.

  3. 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.

  4. 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

  5. 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 σ- and π-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 π- and σ-antibonding energies eλX (λ = σ, π) 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

  6. 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

  7. A Multilevel Voltage-Source Inverter with Separate DC Sources

    Office of Scientific and Technical Information (OSTI)

    Multilevel Voltage-Source Inverter with Separate DC Sources for Static Var Generation Fang Zheng Peng University of Tennessee, Knoxville Oak Ridge National Laboratory Oak Ridge, Tennessee 37831-7258 Phone: 615-576-7261 P.O. BOX 2003, K-l008F, M / S 7258 Abstract - A new multilevel voltage-source inverter with separate dc sources is proposed for high-voltage, high-power applications, such as flexible ac transmission systems (FACTS) including static var generation (SVG), power line conditioning,

  8. 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.

  9. Non-adiabatic ab initio molecular dynamics of supersonic beam epitaxy of silicon carbide at room temperature

    SciTech Connect (OSTI)

    Taioli, Simone; Garberoglio, Giovanni; Simonucci, Stefano; Beccara, Silvio a; Aversa, Lucrezia; Nardi, Marco; Verucchi, Roberto; Iannotta, Salvatore; Dapor, Maurizio; and others

    2013-01-28

    In this work, we investigate the processes leading to the room-temperature growth of silicon carbide thin films by supersonic molecular beam epitaxy technique. We present experimental data showing that the collision of fullerene on a silicon surface induces strong chemical-physical perturbations and, for sufficient velocity, disruption of molecular bonds, and cage breaking with formation of nanostructures with different stoichiometric character. We show that in these out-of-equilibrium conditions, it is necessary to go beyond the standard implementations of density functional theory, as ab initio methods based on the Born-Oppenheimer approximation fail to capture the excited-state dynamics. In particular, we analyse the Si-C{sub 60} collision within the non-adiabatic nuclear dynamics framework, where stochastic hops occur between adiabatic surfaces calculated with time-dependent density functional theory. This theoretical description of the C{sub 60} impact on the Si surface is in good agreement with our experimental findings.

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

    SciTech Connect (OSTI)

    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 isotropic 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.

  11. 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.

  12. High pressure elastic properties of minerals from ab initio simulations: The case of pyrope, grossular and andradite silicate garnets

    SciTech Connect (OSTI)

    Erba, A. Mahmoud, A.; Dovesi, R.; Belmonte, D.

    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.

  13. 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.

  14. Characterization of amorphous In{sub 2}O{sub 3}: An ab initio molecular dynamics study

    SciTech Connect (OSTI)

    Aliano, Antonio; Catellani, Alessandra; Cicero, Giancarlo

    2011-11-21

    In this work, we report on the structural and electronic properties of amorphous In{sub 2}O{sub 3} obtained with ab initio molecular dynamics. Our results show crystal-like short range InO{sub 6} polyhedra having average In-O distance consistent with x-ray spectroscopy data. Structural disorder yields band tailing and localized states, which are responsible of a strong reduction of the electronic gap. Most importantly, the appearance of a peculiar O-O bond imparts n-type character to the amorphous compound and provides contribution for interpreting spectroscopic measurements on indium based oxidized systems. Our findings portray characteristic features to attribute transparent semiconductive properties to amorphous In{sub 2}O{sub 3}.

  15. 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.

  16. Constricted glow discharge plasma source

    DOE Patents [OSTI]

    Anders, Andre; Anders, Simone; Dickinson, Michael; Rubin, Michael; Newman, Nathan

    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.

  17. 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.

  18. WIPP Opportunities - Procurement - Sources Sought

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

    Procurement Sources Sought This page displays a listing Sources Sought. If you are interested in submitting an outline, please contact the cognizant buyer to find out more. Please respond by e-mail to the buyer and include: Close date Buyer's name Your name or name of contact E-mail address and/or phone number Type of business All outlines must be received on or before the listed closing date. _________________________________________ Sources Sought Under Ground Ventilation System Contractor

  19. Linac Coherent Light Source Overview

    Broader source: Energy.gov [DOE]

    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.

  20. APS Science | Advanced Photon Source

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

    Science APS Science features articles on Advanced Photon Source research and engineering highlights that are written for the interested public as well as the synchrotron x-ray,...

  1. ION SOURCE UNIT FOR CALUTRON

    DOE Patents [OSTI]

    Sloan, D.H.; Yockey, H.P.; Schmidt, F.H.

    1959-04-14

    An improvement in the mounting arrangement for an ion source within the vacuum tank of a calutron device is reported. The cathode and arc block of the source are independently supported from a stem passing through the tank wall. The arc block may be pivoted and moved longitudinally with respect to the stem to thereby align the arc chamber in the biock with the cathode and magnetic field in the tank. With this arrangement the elements of the ion source are capable of precise adjustment with respect to one another, promoting increased source efficiency.

  2. Video Library | Advanced Photon Source

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

    Video Library Related Links: APS Colloquium APS Podcasts APS Today More videos: Introduction to the APS Physics of the Blues Now Playing: Building the Advanced Photon Source This...

  3. 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 written...

  4. 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.

  5. 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)

  6. Video Library | Advanced Photon Source

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

    Archives APS Brochure Annual Reports Posters Podcasts Image Gallery external site Video Library Syndicated Feeds (RSS) Now Playing: The Advanced Photon Source More videos:...

  7. Source Physics Experiment | National Nuclear Security Administration

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

    Source Physics Experiment | National Nuclear Security Administration Facebook Twitter ... Apply for Our Jobs Our Jobs Working at NNSA Blog Home Source Physics Experiment Source ...

  8. Distinguishing Between Site Waste, Natural, and Other Sources of Contamination at Uranium and Thorium Contaminated Sites - 12274

    SciTech Connect (OSTI)

    Hays, David C.

    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)

  9. 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.

  10. Installing a Light Source 'Racetrack'

    Broader source: Energy.gov [DOE]

    This month, workers at Brookhaven National Laboratory’s National Synchrotron Light Source II (NSLS-II), the half-mile electron racetrack for one of the world’s most advanced light sources, will begin filling the facility’s steel and concrete shell.

  11. 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.

  12. 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.

  13. Sealed source peer review plan

    SciTech Connect (OSTI)

    Feldman, Alexander; Leonard, Lee; Burns, Ron

    2009-01-01

    Sealed sources are known quantities of radioactive materials that have been encapsulated in quantities that produce known radiation fields. Sealed sources have multiple uses ranging from instrument calibration sources to sources that produce radiation fields for experimental applications. The Off-Site Source Recovery (OSR) Project at Los Alamos National Laboratory (LANL), created in 1999, under the direction of the Waste Management Division of the U.S. Department of Energy (DOE) Albuquerque has been assigned the responsibility to recover and manage excess and unwanted radioactive sealed sources from the public and private sector. LANL intends to ship drums containing qualified sealed sources to the Waste Isolation Pilot Plant (WIPP) for disposal. Prior to shipping, these drums must be characterized with respect to radiological content and other parameters. The U. S. Environmental Protection Agency (EPA) requires that ten radionulcides be quantified and reported for every container of waste to be disposed in the WIPP. The methods traditionally approved by the EPA include non-destructive assay (NDA) in accordance with Appendix A of the Contact-Handled Transuranic Waste Acceptance Criteria for the Waste Isolation Pilot Plant (DOE, 2002) (CH WAC). However, because of the nature and pedigree of historical records for sealed sources and the technical infeasibility of performing NDA on these sources, LANL proposes to characterize the content of these waste drums using qualified existing radiological data in lieu of direct measurement. This plan describes the process and documentation requirements for the use of the peer review process to qualify existing data for sealed radiological sources in lieu of perfonning radioassay. The peer review process will be performed in accordance with criteria provided in 40 CFR {section} 194.22 which specifies the use of the NUREG 1297 guidelines. The plan defines the management approach, resources, schedule, and technical requirements for the subject peer review.

  14. 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.

  15. 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.

  16. Environmental Technology Verification of Mobile Sources Control...

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

    Environmental Technology Verification of Mobile Sources Control Technologies Environmental Technology Verification of Mobile Sources Control Technologies 2005 Diesel Engine...

  17. 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.

  18. Protection #1: Remove the Source

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

    Remove the Source Protection #1: Remove the Source The 3 Protections = Defense in Depth August 1, 2013 Waste being removed from MDA-B inside a metal building Excavation of waste from MDA-B thumbnail of Removing the source means excavating contaminants, sorting these by waste type, and transporting to a disposal area in which contaminants are contained. RELATED IMAGES http://farm8.staticflickr.com/7388/9571274521_679fe1e34a_t.jpg Enlarge http://farm4.staticflickr.com/3726/9571272211_6873a5717f

  19. 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...

  20. Magnetic Materials | Advanced Photon Source

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

    Materials Internal Magnetic Materials The Magnetic Material Group (MMG) is part of the X-ray Science Division (XSD) at the Advanced Photon Source (APS). Our research focuses on the...

  1. 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...

  2. E Source | Open Energy Information

    Open Energy Info (EERE)

    use and provision of energy. Who Is E Source? Whether you're an electric or natural gas utility or a large business customer served by a utility, your problems are probably...

  3. 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.

  4. Electrolyte salts for power sources

    DOE Patents [OSTI]

    Doddapaneni, Narayan; Ingersoll, David

    1995-01-01

    Electrolyte salts 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.

  5. APS Podcasts | Advanced Photon Source

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

    of Art Preservation and Connoisseurship August 14, 2007; mp3 - 1.88MB Franceska Casadio, Art Institute of Chicago: November 3, 2004 The Advanced Photon Source (videomp4) August...

  6. 2MASS 22344161+4041387AB: A WIDE, YOUNG, ACCRETING, LOW-MASS BINARY IN THE LkH{alpha}233 GROUP

    SciTech Connect (OSTI)

    Allers, K. N.; Liu, Michael C.; Cushing, Michael C.; Dupuy, Trent J.; Mathews, Geoffrey S.; Shkolnik, Evgenya; Reid, I. Neill; Cruz, Kelle L.; Vacca, W. D.

    2009-05-20

    We report the discovery of a young, 0.''16 binary, 2M2234+4041AB, found as the result of a Keck laser guide star adaptive optics imaging survey of young field ultracool dwarfs. Spatially resolved near-infrared photometry and spectroscopy indicate that the luminosity and temperature ratios of the system are near unity. From optical and near-infrared spectroscopy, we determine a composite spectral type of M6 for the system. Gravity-sensitive spectral features in the spectra of 2M2234+4041AB are best matched to those of young objects ({approx}1 Myr old). A comparison of the T {sub eff} and age of 2M2234+4041AB to evolutionary models indicates that the mass of each component is 0.10{sup +0.075} {sub -0.04} M {sub sun}. Emission lines of H{alpha} in the composite optical spectrum of the system and Br{gamma} in spatially resolved near-IR spectra of the two components indicate that the system is actively accreting. Both components of the system have IR excesses, indicating that they both harbor circumstellar disks. Though 2M2234+4041AB was originally identified as a young field dwarf, it lies 1.'5 from the well-studied Herbig Ae/Be star, LkH{alpha}233. The distance to LkH{alpha}233 is typically assumed to be 880 pc. It is unlikely that 2M2234+4041AB could be this distant, as it would then be more luminous than any known Taurus objects of similar spectral type. We re-evaluate the distance to the LkH{alpha}233 group and find a value of 325{sup +72} {sub -50} pc, based on the Hipparcos distance to a nearby B3-type group member (HD 213976). 2M2234+4041AB is the first low-mass star to be potentially associated with the LkH{alpha}233 group. At a distance of 325 pc, its projected physical separation is 51 AU, making it one of the growing number of wide, low-mass binaries found in young star-forming regions.

  7. Ab-initio study of hydrogen doping and oxygen vacancy at anatase TiO{sub 2} surface

    SciTech Connect (OSTI)

    Sotoudeh, M.; Mohammadizadeh, M. R.; Hashemifar, S. J.; Abbasnejad, M.

    2014-02-15

    Density functionalpseudopotential calculations were performed to study the effects of hydrogen doping and oxygen vacancy, both individually and together, on the electronic structure and stability of (001) surface of TiO{sub 2} in the anatase phase. Based on our calculations, O/Ti termination is the most stable one, and it appears that p-states of deep and surface O atoms and d-orbitals of surface Ti atoms have roles in the valence band and, the conduction band comes from the d-orbitals of deep Ti atoms. Although, no considerable change was seen during H doping, a mid-gap state appeared below the conduction band in the O vacancy configuration. In the framework of ab-initio atomistic thermodynamics, we argue that the anatase TiO{sub 2} prefers a defected O layer termination in the [001] direction. The obtained electronic structures indicate that H doping in the bulk creates the empty mid-gap state below the conduction band and hence decreases the band gap of the system. This phenomenon may explain the enhanced photocatalytic activity of the anatase TiO{sub 2} (001) surface after hydrogenation.

  8. Accurate static and dynamic properties of liquid electrolytes for Li-ion batteries from ab initio molecular dynamics

    SciTech Connect (OSTI)

    Ganesh, P.; Jiang, D.; Kent, P.R.C.

    2011-03-31

    Lithium-ion batteries have the potential to revolutionize the transportation industry, as they did for wireless communication. A judicious choice of the liquid electrolytes used in these systems is required to achieve a good balance among high-energy storage, long cycle life and stability, and fast charging. Ethylene-carbonate (EC) and propylene-carbonate (PC) are popular electrolytes. However, to date, almost all molecular-dynamics simulations of these fluids rely on classical force fields, while a complete description of the functionality of Li-ion batteries will eventually require quantum mechanics. We perform accurate ab initio molecular-dynamics simulations of ethylene- and propylene-carbonate with LiPF6 at experimental concentrations to build solvation models which explain available neutron scattering and nuclear magnetic resonance (NMR) results and to compute Li-ion solvation energies and diffusion constants. Our results suggest some similarities between the two liquids as well as some important differences. Simulations also provide useful insights into formation of solid-electrolyte interphases in the presence of electrodes in conventional Li-ion batteries.

  9. Accurate static and dynamic properties of liquid-electrolytes for Li-ion batteries from ab initio molecular dynamics

    SciTech Connect (OSTI)

    Ganesh, Panchapakesan; Jiang, Deen; Kent, Paul R

    2011-01-01

    Lithium-ion batteries have the potential to revolutionize the transportation industry, as they did for wireless communication. A judicious choice of the liquid electrolytes used in these systems is required to achieve a good balance among high-energy storage, long cycle life and stability, and fast charging. Ethylene-carbonate (EC) and propylene-carbonate (PC) are popular electrolytes. However, to date, almost all molecular-dynamics simulations of these fluids rely on classical force fields, while a complete description of the functionality of Li-ion batteries will eventually require quantum mechanics. We perform accurate ab initio molecular-dynamics simulations of ethylene- and propylene-carbonate with LiPF6 at experimental concentrations to build solvation models which explain available neutron scattering and nuclear magnetic resonance (NMR) results and to compute Li-ion solvation energies and diffusion constants. Our results suggest some similarities between the two liquids as well as some important differences. Simulations also provide useful insights into formation of solid-electrolyte interphases in the presence of electrodes in conventional Li-ion batteries.

  10. Ab Initio and Kinetic Rate Theory Modeling of 316SS with Oversized Solute Additions on Radiation-Induced Segregation

    SciTech Connect (OSTI)

    Hackett, Micah J.; Was, Gary S.

    2008-07-01

    Deleterious effects of radiation in nuclear reactor systems cause material degradation and the potential for component failure. Radiation damage is fundamentally due to freely migrating point defects produced in collision cascades. A reduction in the freely migrating point defect population should, then, reduce radiation damage and increase component lifetime. The addition of oversized solute atoms such as Zr or Hf to 316SS, a common structural material in reactors, is expected to reduce point defect population through a trapping mechanism that enhances recombination. The mechanism, however, requires a strong binding energy between the oversized solute atom and vacancies in order for the mechanism to significantly reduce the defect population. Experimental measurements of this binding energy are unavailable, but can be determined with atomistic calculations. Ab initio methods are used here to determine binding energies and atomic volumes of either Hf or Zr oversized solutes with vacancies in a face-centered cubic Fe matrix. The binding energies are then used to parameterize a kinetic rate-theory model, which is used here to calculate radiation-induced segregation (RIS). The calculated values of RIS are then compared to experimental measurements to benchmark the calculations and offer insight into the proposed point defect trapping mechanism. (author)

  11. Dissociative chemisorption of methane on metal surfaces: Tests of dynamical assumptions using quantum models and ab initio molecular dynamics

    SciTech Connect (OSTI)

    Jackson, Bret; Nattino, Francesco; Kroes, Geert-Jan

    2014-08-07

    The dissociative chemisorption of methane on metal surfaces is of great practical and fundamental importance. Not only is it the rate-limiting step in the steam reforming of natural gas, the reaction exhibits interesting mode-selective behavior and a strong dependence on the temperature of the metal. We present a quantum model for this reaction on Ni(100) and Ni(111) surfaces based on the reaction path Hamiltonian. The dissociative sticking probabilities computed using this model agree well with available experimental data with regard to variation with incident energy, substrate temperature, and the vibrational state of the incident molecule. We significantly expand the vibrational basis set relative to earlier studies, which allows reaction probabilities to be calculated for doubly excited initial vibrational states, though it does not lead to appreciable changes in the reaction probabilities for singly excited initial states. Sudden models used to treat the center of mass motion parallel to the surface are compared with results from ab initio molecular dynamics and found to be reasonable. Similar comparisons for molecular rotation suggest that our rotationally adiabatic model is incorrect, and that sudden behavior is closer to reality. Such a model is proposed and tested. A model for predicting mode-selective behavior is tested, with mixed results, though we find it is consistent with experimental studies of normal vs. total (kinetic) energy scaling. Models for energy transfer into lattice vibrations are also examined.

  12. Interfacing the Ab initio multiple spawning method with electronic structure methods in GAMESS: Photodecay of trans-Azomethane

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

    Gaenko, Alexander; DeFusco, Albert; Varganov, Sergey A.; Martínez, Todd J.; Gordon, Mark S.

    2014-10-20

    This work presents a nonadiabatic molecular dynamics study of the nonradiative decay of photoexcited trans-azomethane, using the ab initio multiple spawning (AIMS) program that has been interfaced with the General Atomic and Molecular Electronic Structure System (GAMESS) quantum chemistry package for on-the-fly electronic structure evaluation. The interface strategy is discussed, and the capabilities of the combined programs are demonstrated with a nonadiabatic molecular dynamics study of the nonradiative decay of photoexcited trans-azomethane. Energies, gradients, and nonadiabatic coupling matrix elements were obtained with the state-averaged complete active space self-consistent field method, as implemented in GAMESS. The influence of initial vibrational excitationmore » on the outcome of the photoinduced isomerization is explored. Increased vibrational excitation in the CNNC torsional mode shortens the excited state lifetime. Depending on the degree of vibrational excitation, the excited state lifetime varies from ~60–200 fs. As a result, these short lifetimes are in agreement with time-resolved photoionization mass spectroscopy experiments.« less

  13. Thermal decomposition of 1,3,3-trinitroazetidine (TNAZ): A density functional theory and ab initio study

    SciTech Connect (OSTI)

    Veals, Jeffrey D.; Thompson, Donald L.

    2014-04-21

    Density functional theory and ab initio methods are employed to investigate decomposition pathways of 1,3,3-trinitroazetidine initiated by unimolecular loss of NO{sub 2} or HONO. Geometry optimizations are performed using M06/cc-pVTZ and coupled-cluster (CC) theory with single, double, and perturbative triple excitations, CCSD(T), is used to calculate accurate single-point energies for those geometries. The CCSD(T)/cc-pVTZ energies for NO{sub 2} elimination by NN and CN bond fission are, including zero-point energy (ZPE) corrections, 43.21 kcal/mol and 50.46 kcal/mol, respectively. The decomposition initiated by trans-HONO elimination can occur by a concerted H-atom and nitramine NO{sub 2} group elimination or by a concerted H-atom and nitroalkyl NO{sub 2} group elimination via barriers (at the CCSD(T)/cc-pVTZ level with ZPE corrections) of 47.00 kcal/mol and 48.27 kcal/mol, respectively. Thus, at the CCSD(T)/cc-pVTZ level, the ordering of these four decomposition steps from energetically most favored to least favored is: NO{sub 2} elimination by NN bond fission, HONO elimination involving the nitramine NO{sub 2} group, HONO elimination involving a nitroalkyl NO{sub 2} group, and finally NO{sub 2} elimination by CN bond fission.

  14. ARM - Sources of Atmospheric Carbon

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

    Sources of Atmospheric Carbon Outreach Home Room News Publications Traditional Knowledge Kiosks Barrow, Alaska Tropical Western Pacific Site Tours Contacts Students Study Hall About ARM Global Warming FAQ Just for Fun Meet our Friends Cool Sites Teachers Teachers' Toolbox Lesson Plans Sources of Atmospheric Carbon Atmospheric carbon represented a steady state system, where influx equaled outflow, before the Industrial Revolution. Currently, it is no longer a steady state system because the

  15. 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.

  16. 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.

  17. 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.

  18. Multilevel cascade voltage source inverter with seperate DC sources

    DOE Patents [OSTI]

    Peng, Fang Zheng; Lai, Jih-Sheng

    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.

  19. SOURCE?

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

    The Application Programming Interface (API) built into SEED allows for developers to create additional tools that can be added on to the core code to increase platform ...

  20. 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).Processing flowchart for each corridor:Ground control points (GCP, 20.3 cm square white targets, every 20 m) surveyed with RTK GPS. Acquisition of RGB pictures using a Kite-based platform. Structure from Motion based reconstruction using hundreds of pictures and GCP coordinates. Export of DEM and RGB mosaic in geotiff format (NAD 83, 2012 geoid, UTM zone 4 north) with pixel resolution of about 2 cm, and x,y,z accuracy in centimeter range (less than 10 cm). High-accuracy and high-resolution inside GCPs zone for L2 corridor (500x20m), AB corridor (500x40) DEM will be updated once all GCPs will be measured. Only zones between GCPs are accurate although all the mosaic is provided.

  1. Surface structure of CdSe Nanorods revealed by combined X-rayabsorption fine structure measurements and ab-initio calculations

    SciTech Connect (OSTI)

    Aruguete, Deborah A.; Marcus, Matthew A.; Li, Liang-shi; Williamson, Andrew; Fakra, Sirine; Gygi, Francois; Galli, Giulia; Alivisatos, A. Paul

    2006-01-27

    We report orientation-specific, surface-sensitive structural characterization of colloidal CdSe nanorods with extended X-ray absorption fine structure spectroscopy and ab-initio density functional theory calculations. Our measurements of crystallographically-aligned CdSe nanorods show that they have reconstructed Cd-rich surfaces. They exhibit orientation-dependent changes in interatomic distances which are qualitatively reproduced by our calculations. These calculations reveal that the measured interatomic distance anisotropy originates from the nanorod surface.

  2. Final Environmental Impact Statement to construct and operate a facility to receive, store, and dispose of 11e.(2) byproduct material near Clive, Utah (Docket No. 40-8989)

    SciTech Connect (OSTI)

    Not Available

    1993-08-01

    A Final Environmental Impact Statement (FEIS) related to the licensing of Envirocare of Utah, Inc.`s proposed disposal facility in Tooele county, Utah (Docket No. 40-8989) for byproduct material as defined in Section 11e.(2) of the Atomic Energy Act, as amended, has been prepared by the Office of Nuclear Material Safety and Safeguards. This statement describes and evaluates the purpose of and need for the proposed action, the alternatives considered, and the environmental consequences of the proposed action. The NRC has concluded that the proposed action evaluated under the National Environmental Policy Act of 1969 (NEPA) and 10 CFR Part 51, is to permit the applicant to proceed with the project as described in this Statement.

  3. 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.

  4. Miniature x-ray source

    DOE Patents [OSTI]

    Trebes, James E.; Bell, Perry M.; Robinson, Ronald B.

    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.

  5. Miniature x-ray source

    DOE Patents [OSTI]

    Trebes, James E.; Stone, Gary F.; Bell, Perry M.; Robinson, Ronald B.; Chornenky, Victor I.

    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.

  6. SOURCE PHENOMENOLOGY EXPERIMENTS IN ARIZONA

    SciTech Connect (OSTI)

    Jessie L. Bonner; Brian Stump; Mark Leidig; Heather Hooper; Xiaoning 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.

  7. Photoelectron Spectroscopy and Ab Initio Study of the Structure and Bonding in A17N- and A17N

    SciTech Connect (OSTI)

    Averkiev, Boris B.; Call, Seth; Boldyrev, Alexander I.; Wang, Leiming; Huang, Wei; Wang, Lai S.

    2008-03-06

    The electronic and geometrical structures of Al7N– are investigated using photoelectron spectroscopy and ab initio calculations. Photoelectron spectra of Al7N– have been obtained at three photon energies with seven resolved spectral features at 193 nm. The spectral features of Al7N– are relatively broad, in particular for the ground state transition, indicating a large geometrical change from the ground state of Al7N– to that of Al7N. The ground state vertical detachment energy is measured to be 2.71 eV, whereas only an upper limit of ~1.9 eV can be estimated for the ground state adiabatic detachment energy due to the broad detachment band. Global minimum searches for A7N– and Al7N are performed using several theoretical methods. Vertical electron detachment energies are calculated using three different methods for the lowest energy structure and compared with the experimental data. Excellent agreement is observed between the calculated results and the experimental data. The global minimum structure of Al7N– is found to possess C3v symmetry, which can be viewed as an Al atom capping a face of a N-centered Al6N octahedron. However, in the ground state of Al7N the capping Al atom pushes in to form a bond with the central N atom, significantly expanding the three neighboring Al atoms. Thus, even though Al7N still possesses C3v symmetry, it is better viewed as a N coordinated by seven Al atoms in a cage-like structure. The chemical bonding in Al7N– is discussed on the basis of molecular orbital and natural bond analyses.

  8. AXISYMMETRIC AB INITIO CORE-COLLAPSE SUPERNOVA SIMULATIONS OF 12-25 M{sub Sun} STARS

    SciTech Connect (OSTI)

    Bruenn, Stephen W.; Yakunin, Konstantin N.; Mezzacappa, Anthony; Hix, W. Raphael; Lingerfelt, Eric J.; Lentz, Eric J.; Messer, O. E. Bronson; Blondin, John M.; Endeve, Eirik; Marronetti, Pedro

    2013-04-10

    We present an overview of four ab initio axisymmetric core-collapse supernova simulations employing detailed spectral neutrino transport computed with our CHIMERA code and initiated from Woosley and Heger progenitors of mass 12, 15, 20, and 25 M{sub Sun }. All four models exhibit shock revival over {approx}200 ms (leading to the possibility of explosion), driven by neutrino energy deposition. Hydrodynamic instabilities that impart substantial asymmetries to the shock aid these revivals, with convection appearing first in the 12 M{sub Sun} model and the standing accretion shock instability appearing first in the 25 M{sub Sun} model. Three of the models have developed pronounced prolate morphologies (the 20 M{sub Sun} model has remained approximately spherical). By 500 ms after bounce the mean shock radii in all four models exceed 3000 km and the diagnostic explosion energies are 0.33, 0.66, 0.65, and 0.70 Bethe (B = 10{sup 51} erg) for the 12, 15, 20, and 25 M{sub Sun} models, respectively, and are increasing. The three least massive of our models are already sufficiently energetic to completely unbind the envelopes of their progenitors (i.e., to explode), as evidenced by our best estimate of their explosion energies, which first become positive at 320, 380, and 440 ms after bounce. By 850 ms the 12 M{sub Sun} diagnostic explosion energy has saturated at 0.38 B, and our estimate for the final kinetic energy of the ejecta is {approx}0.3 B, which is comparable to observations for lower mass progenitors.

  9. Ab initio study of the linear and nonlinear optical properties of chalcopyrite CdGeAs{sub 2}

    SciTech Connect (OSTI)

    Yu You; Zhao Beijun; Zhu Shifu; Gao Tao; Hou Haijun; He Zhiyu

    2012-01-15

    We present an ab initio theoretical study of the electronic, linear and nonlinear optical properties of CdGeAs{sub 2} using a pseudopotential plane-wave method. Specifically, we evaluate the band structure, density of states, charge density, the dielectric function {epsilon}({omega}) and the second harmonic generation response susceptibility {chi}{sub 312}{sup (2)}(-2{omega};{omega},{omega}) over a large frequency range. As LDA underestimates the band gap, we have applied the GW approximation method to calculate the quasiparticle band structure and obtain an energy band gap in agreement with experiment. In this case the opening of the gap due to the GW correction can be used as scissor shift to calculate the linear and nonlinear optical properties. The intra- and inter-band contributions to the imaginary part of {chi}{sub 312}{sup (2)}(-2{omega};{omega},{omega}) are presented over a broad energy range. It is found that the small energy gap semiconductor CdGeAs{sub 2} has larger values of {epsilon}{sub 1}(0) and {chi}{sub 312}{sup (2)}(0) than other chalcopyrite structures. - Graphical abstract: Calculated total imaginary part of {chi}{sub 312}{sup (2)}(-2{omega};{omega},{omega}) spectra along with the intra-(2{omega})/(1{omega}) and inter-(2{omega})/(1{omega}) band contributions. Highlights: Black-Right-Pointing-Pointer We find that the charge density around the cation Cd of CdGeAs{sub 2} is spherical. Black-Right-Pointing-Pointer We do not have to rely on experimental gap to determine the self-energy. Black-Right-Pointing-Pointer It is the first time we have calculated the SHG susceptibility using pseudopotential plane-wave. Black-Right-Pointing-Pointer The SHG susceptibility beyond zero frequency was calculated.

  10. Sensor/source electrometer circuit

    SciTech Connect (OSTI)

    Hughes, W.J.

    1991-12-31

    A multiple decade electrometer circuit is claimed which can measure low input currents or act as a current source and is comprised of a microprocessor controlled digital to analog converters to derive individual decades. A plurality of decades are created by multiple D-A voltage sources which generate electrometer currents through scaled resistors. After a first series of decades of current are successively produced, the converters are 10 cycled to generate current through new resistors scaled to produce another series decades of current. In this manner, the electrometer circuit generates or senses a plurality of decades of current without significant scale change.

  11. abs.published.pdf

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

  12. abs.submitted.pdf

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

  13. oganesian1_ab

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

    SUPER H EAVY E LEMENTS Academician P rofessor Y uri O ganessian JJINR, D ubna, R ussian F ederationCyclotron I nstitute, T AMU Summary A s eries o f 5 l ectures i s d evoted t o o...

  14. abs_tamu.dvi

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

    The thermal evolution of some thermodynamic properties of the nuclear surface like its thermody- namic potential energy, entropy and the symmetry free energy are examined for both ...

  15. Property:HeatSource | Open Energy Information

    Open Energy Info (EERE)

    HeatSource Jump to: navigation, search Property Name HeatSource Property Type String Description A description of the resource heat source in the geothermal area. Describes what...

  16. Laser-Compton Light Source Technology

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

    Laser-Compton Light Source Technology Laser-Compton light source technology enables production of mono-energetic gamma rays and x rays. In the gamma-ray regime, these sources ...

  17. 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.

  18. Introduction to APS | Advanced Photon Source

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

    Introduction to APS What is the APS? What is the APS? The Advanced Photon Source is a synchrotron light source that produces high-energy, high-brightness x-ray beams. The source is...

  19. Reporting of Radioactive Sealed Sources

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

    2008-02-27

    To establish U.S. Department of Energy requirements for inventory reporting, transaction reporting, verification of reporting, and assign responsibilities for reporting of radioactive sealed sources. DOE N 251.86 extends this notice until 5-6-11. No cancellations. Canceled by DOE O 231.1B

  20. National Synchrotron Light Source II

    ScienceCinema (OSTI)

    Steve Dierker

    2010-01-08

    The National Synchrotron Light Source II (NSLS-II) at the U.S. Department of Energy's Brookhaven National Laboratory is a proposed new state-of-the-art medium energy storage ring designed to deliver world-leading brightness and flux with top-off operation

  1. Focused X-ray source

    DOE Patents [OSTI]

    Piestrup, M.A.; Boyers, D.G.; Pincus, C.I.; Maccagno, P.

    1990-08-21

    Disclosed is an intense, relatively inexpensive X-ray source (as compared to a synchrotron emitter) for technological, scientific, and spectroscopic purposes. A conical radiation pattern produced by a single foil or stack of foils is focused by optics to increase the intensity of the radiation at a distance from the conical radiator. 8 figs.

  2. Focused X-ray source

    DOE Patents [OSTI]

    Piestrup, Melvin A.; Boyers, David G.; Pincus, Cary I.; Maccagno, Pierre

    1990-01-01

    An intense, relatively inexpensive X-ray source (as compared to a synchrotron emitter) for technological, scientific, and spectroscopic purposes. A conical radiation pattern produced by a single foil or stack of foils is focused by optics to increase the intensity of the radiation at a distance from the conical radiator.

  3. Miniaturized cathodic arc plasma source

    DOE Patents [OSTI]

    Anders, Andre; MacGill, Robert A.

    2003-04-15

    A cathodic arc plasma source has an anode formed of a plurality of spaced baffles which extend beyond the active cathode surface of the cathode. With the open baffle structure of the anode, most macroparticles pass through the gaps between the baffles and reflect off the baffles out of the plasma stream that enters a filter. Thus the anode not only has an electrical function but serves as a prefilter. The cathode has a small diameter, e.g. a rod of about 1/4 inch (6.25 mm) diameter. Thus the plasma source output is well localized, even with cathode spot movement which is limited in area, so that it effectively couples into a miniaturized filter. With a small area cathode, the material eroded from the cathode needs to be replaced to maintain plasma production. Therefore, the source includes a cathode advancement or feed mechanism coupled to cathode rod. The cathode also requires a cooling mechanism. The movable cathode rod is housed in a cooled metal shield or tube which serves as both a current conductor, thus reducing ohmic heat produced in the cathode, and as the heat sink for heat generated at or near the cathode. Cooling of the cathode housing tube is done by contact with coolant at a place remote from the active cathode surface. The source is operated in pulsed mode at relatively high currents, about 1 kA. The high arc current can also be used to operate the magnetic filter. A cathodic arc plasma deposition system using this source can be used for the deposition of ultrathin amorphous hard carbon (a-C) films for the magnetic storage industry.

  4. Energy Intensity Indicators: Commercial Source Energy Consumption...

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

    Commercial Source Energy Consumption Energy Intensity Indicators: Commercial Source Energy Consumption Figure C1 below reports as index numbers over the period 1970 through 2011: ...

  5. Energy Intensity Indicators: Residential Source Energy Consumption...

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

    Residential Source Energy Consumption Energy Intensity Indicators: Residential Source Energy Consumption Figure R1 below reports as index numbers over the period 1970 through 2011: ...

  6. Agri Source Fuels | Open Energy Information

    Open Energy Info (EERE)

    search Name: Agri-Source Fuels Place: Pensacola, Florida Zip: 32505 Product: Biodiesel producer located in Florida that owns a plant in Dade City. References: Agri-Source...

  7. Source Geometric Considerations for OMEGA Dante Measurements...

    Office of Scientific and Technical Information (OSTI)

    Source Geometric Considerations for OMEGA Dante Measurements Citation Details In-Document Search Title: Source Geometric Considerations for OMEGA Dante Measurements You are...

  8. Ground Source Solutions | Open Energy Information

    Open Energy Info (EERE)

    Kingdom Zip: NG22 9GW Sector: Buildings Product: UK-based installer of ground source energy systems to domestic and commercial buildings. References: Ground Source...

  9. Blue Source LLC | Open Energy Information

    Open Energy Info (EERE)

    Source LLC Jump to: navigation, search Name: Blue Source LLC Place: Salt Lake City, Utah Zip: 84121 Product: Salt Lake City-based emission offset aggregation company. References:...

  10. DOE & Strategic Sourcing "New Challenges, New Opportunities"

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

    3 Strategic Sourcing Process Models 4 My Personal Favorite... 5 The Basic Process 1. ... Ability to Collect Cost Savings Data - Marketing Strategic Sourcing Processes and ...

  11. Alternative Water Sources Map | Department of Energy

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

    Facilities Water Efficiency Alternative Water Sources Map Alternative Water Sources Map The Federal Energy Management Program (FEMP) created the Alternative Water Map to...

  12. Power Sources Inc | Open Energy Information

    Open Energy Info (EERE)

    Sources Inc Jump to: navigation, search Name: Power Sources Inc. Place: Charlotte, North Carolina Sector: Biomass Product: US-based operator and developer of biomass-to-energy...

  13. APS Organization Chart | Advanced Photon Source

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

    APS Organization Chart The Advanced Photon Source (APS) organization comprises three divisions and one project office. Advanced Photon Source Organization Photon Sciences Overview...

  14. Alternative Energy Sources Inc | Open Energy Information

    Open Energy Info (EERE)

    Sources Inc Jump to: navigation, search Name: Alternative Energy Sources Inc Place: Kansas City, Missouri Zip: 64108 Product: Kansas City-based company that constructs, owns and...

  15. Voltage balanced multilevel voltage source converter system ...

    Office of Scientific and Technical Information (OSTI)

    Voltage balanced multilevel voltage source converter system Citation Details In-Document Search Title: Voltage balanced multilevel voltage source converter system You are ...

  16. Voltage balanced multilevel voltage source converter system ...

    Office of Scientific and Technical Information (OSTI)

    Voltage balanced multilevel voltage source converter system Citation Details In-Document Search Title: Voltage balanced multilevel voltage source converter system A voltage ...

  17. Open Source Software | Argonne National Laboratory

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

    Open Source Software TDC encourages Argonne authors to post on the GitHub platform to facilitate transfer of open source software....

  18. X-ray lithography source

    DOE Patents [OSTI]

    Piestrup, Melvin A.; Boyers, David G.; Pincus, Cary

    1991-01-01

    A high-intensity, inexpensive X-ray source for X-ray lithography for the production of integrated circuits. Foil stacks are bombarded with a high-energy electron beam of 25 to 250 MeV to produce a flux of soft X-rays of 500 eV to 3 keV. Methods of increasing the total X-ray power and making the cross section of the X-ray beam uniform are described. Methods of obtaining the desired X-ray-beam field size, optimum frequency spectrum and elminating the neutron flux are all described. A method of obtaining a plurality of station operation is also described which makes the process more efficient and economical. The satisfying of these issues makes transition radiation an exellent moderate-priced X-ray source for lithography.

  19. X-ray lithography source

    DOE Patents [OSTI]

    Piestrup, M.A.; Boyers, D.G.; Pincus, C.

    1991-12-31

    A high-intensity, inexpensive X-ray source for X-ray lithography for the production of integrated circuits is disclosed. Foil stacks are bombarded with a high-energy electron beam of 25 to 250 MeV to produce a flux of soft X-rays of 500 eV to 3 keV. Methods of increasing the total X-ray power and making the cross section of the X-ray beam uniform are described. Methods of obtaining the desired X-ray-beam field size, optimum frequency spectrum and eliminating the neutron flux are all described. A method of obtaining a plurality of station operation is also described which makes the process more efficient and economical. The satisfying of these issues makes transition radiation an excellent moderate-priced X-ray source for lithography. 26 figures.

  20. 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 scientific needs into the technical performance requirements. Feedback from these workshops will provide important input for advancing the design of the facility. Workshops are planned in the following areas Fundamental Atomic, Molecular, Optical Physics & Combustion Dynamics Mon. Aug. 20 - Tues. Aug 21, 2012 Physical

  1. Safety Around Sources of Radiation

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

    Keeping Exposure Low Working Safely Around Radioactive Contamination Types of Radiation Exposure Managing Radiation Emergencies Procedure Demonstration Is it safe to be around sources? Too much radiation exposure is harmful. The degree of radiation injury depends on the amount of radiation received and the time involved. In general, the higher the amount, the greater the severity of early effects (occurring within a few weeks) and the greater the possibility of late effects such as cancer. The

  2. ILC Electron Source Injector Simuations

    SciTech Connect (OSTI)

    Lakshmanan, Manu; /Cornell U., LNS /SLAC

    2007-08-29

    As part of the global project aimed at proposing an efficient design for the ILC (International Linear Collider), we simulated possible setups for the electron source injector, which will provide insight into how the electron injector for the ILC should be designed in order to efficiently accelerate the electron beams through the bunching system. This study uses three types of software: E-Gun to simulate electron beam emission, Superfish to calculate solenoidal magnetic fields, and GPT (General Particle Tracer) to trace charged particles after emission through magnetic fields and subharmonic bunchers. We performed simulations of the electron source injector using various electron gun bias voltages (140kV - 200kV), emitted beam lengths (500ps - 1ns) and radii (7mm - 10mm), and electromagnetic field strengths of the first subharmonic buncher (5 - 20 MV/m). The results of the simulations show that for the current setup of the ILC, a modest electron gun bias voltage ({approx}140kV) is sufficient to achieve the required bunching of the beam in the injector. Extensive simulations of parameters also involving the second subharmonic buncher should be performed in order to gain more insight into possible efficient designs for the ILC electron source injector.

  3. ION SOURCE FOR A CALUTRON

    DOE Patents [OSTI]

    Backus, J.G.

    1957-12-24

    This patent relates to ion sources and more particularly describes an ion source for a calutron which has the advantage of efficient production of an ion beam and long operation time without recharging. The source comprises an arc block provided with an arc chamber connected to a plurality of series-connected charge chambers and means for heating the charge within the chambers. A cathode is disposed at one end of the arc chamber and enclosed hy a vapor tight housing to protect the cathode. The arc discharge is set up between the cathode and the block due to a difference in potentials placed on these parts, and a magnetic field is aligned with the arc discharge. Cooling of the arc block is accomplished by passing coolant through a hollow stem secured at one end to the block and rotatably mounted at the other end through the wall of the calutron. The ions are removed through a slit in the arc chamber by accelerating electrodes.

  4. National Synchrotron Light Source Activity Report 1998

    SciTech Connect (OSTI)

    Rothman, Eva

    1999-05-01

    National Synchrotron Light Source Activity Report for period October 1, 1997 through September 30, 1998

  5. Best Management Practice #14: Alternative Water Sources

    Broader source: Energy.gov [DOE]

    Many federal facilities may have water uses that can be met with non-potable water from alternative water sources. Potentially available alternative water sources for Federal sources include municipal-supplied reclaimed water, treated gray water from on-site sanitary sources, and storm water.

  6. Drying grain using crop residence as a fuel source. Final technical report

    SciTech Connect (OSTI)

    Hammond, C.

    1982-08-01

    An indirectly-fired biomass fueled furnace was evaluated to determine the feasibility of drying grain using crop residues as a fuel source. The furnace efficiency and total heat delivery were determined. Funds for this project were provided by the Department of Energy through an appropriate technology grant. Stalks and residue were harvested in large round bales using conventional hay-handling equipment available on most farms. Calorimeter tests were made to determine the heat content available in various residues prior to combustion in the Stormor Bio Mass Heat System. This allowed total efficiency measurements by comparing total heat available and total heat delivered to the grain dryer. For example, a bale of cotton stalks returned over 60 percent of the useable heat for an efficiency of 63.7 percent. Other residues such as corn stalks gave slightly lower efficiency but clearly showed that adequate heat could be obtained to dry grain using heated air and no petroleum fuels. The air from the furnace went through an air-to-air heat exchanger to prevent contamination of the grain from smoke and combustion by-products. Although reducing efficiency somewhat, the heat exchanger allows grain or other materials such as peanuts to be dried for human consumption. Some evidence of overheating of the firebox doors was observed which led to some warping of the doors. This warping subsequently made temperature control more difficult, since the air supply and burn rate are directly related. Air temperatures of up to 160/sup 0/F were measured. The results show that biomass combustion as a fuel source to dry grain is possible with fuel savings of about ten cents per bushel at current fuel prices. Thus, the cost of the biomass burner could be recovered in drying some 70,000 bushels of grain. 5 figures, 5 tables.

  7. In-111 chelate conjugates of human transferrin (HTr) and mouse monoclonal anti human transferrin receptor antibody (. cap alpha. HTrR MoAb) for tumor imaging

    SciTech Connect (OSTI)

    Goodwin, D.A.; Meares, C.F.; Diamanti, C.I.; McCall, M.; McTigue, M.; Torti, F.; Martin, B.

    1984-01-01

    At least one of the major pathways of uptake of the commonly used tumor scanning agent Ga-67 is via the transferrin receptor. This suggested the use of stably radio-labeled HTr, and ..cap alpha..HTrR MoAb for tumor imaging in humans. HTr and mouse ..cap alpha..HTrR MoAb were alkylated with 1-(parabromacetamidobenzyl)-EDTA. The mM Alkylproteins, approx. =1 chelate/molecule were labeled with 1-3 mCi In-111 citrate pH/sub 5/ (Sp Act approx. = 100-300 Ci/m mole). Images were made 24 hours after 1 mCi IV and in some patients blood levels, urine excretion and digitized whole body scans were obtained at 1, 24,48 and 96 hours post injection. Ten patients with biopsy proven prostate cancer were studied with In-111 HTr, and four with In-111 ..cap alpha.. HTrR MoAb; all had positive mets on bone scan. In-111 HTr persisted in the circulation with a T1/2 of approx. = four days, approx. = 5%/day being excreted in the urine, to a total of approx. = 60% in 21 days. Nine of ten scans were false negative due to the high blood background. In-111 ..cap alpha..HTrR disappeared rapidly from the blood; with most in the bone marrow at 24 hours. ROI analysis of three patients showed whole body 94% at 24 hours, 89% at 48 hours, and 82% at 96 hours (T1/2 = 10.7 days); liver 19% at 1 hour, 25% at 24 hours, and 21% at 96 hours; spleen 3% at 1 hour, 8% at 24 hours, 7.3% at 48 hours, and 3% at 96 hours. The high bone marrow background allowed only a few of the bone mets seen as bone scan to be visualized. Other tumor types not located in bone may be more easily seen.

  8. Ab Initio Many-Body Calculations of the 3H(d, n)4He and 3He(d, p)4He Fusion

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Many-Body Calculations of the 3H(d, n)4He and 3He(d, p)4He Fusion Citation Details In-Document Search Title: Ab Initio Many-Body Calculations of the 3H(d, n)4He and 3He(d, p)4He Fusion Authors: Navratil, P ; Quaglioni, S Publication Date: 2011-09-22 OSTI Identifier: 1248285 Report Number(s): LLNL-JRNL-501012 DOE Contract Number: AC52-07NA27344 Resource Type: Journal Article Resource Relation: Journal Name: Physical Review Letters, vol. 108, na, January 24,

  9. Full-dimensional quantum calculations of vibrational levels of NH4+ and isotopomers on an accurate ab initio potential energy surface

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

    Hua -Gen Yu; Han, Huixian; Guo, Hua

    2016-03-29

    Vibrational energy levels of the ammonium cation (NH4+) and its deuterated isotopomers are calculated using a numerically exact kinetic energy operator on a recently developed nine-dimensional permutation invariant semiglobal potential energy surface fitted to a large number of high-level ab initio points. Like CH4, the vibrational levels of NH4+ and ND4+ exhibit a polyad structure, characterized by a collective quantum number P = 2(v1 + v3) + v2 + v4. As a result, the low-lying vibrational levels of all isotopomers are assigned and the agreement with available experimental data is better than 1 cm–1.

  10. Ab initio quasi-particle approximation bandgaps of silicon nanowires calculated at density functional theory/local density approximation computational effort

    SciTech Connect (OSTI)

    Ribeiro, M.

    2015-06-21

    Ab initio calculations of hydrogen-passivated Si nanowires were performed using density functional theory within LDA-1/2, to account for the excited states properties. A range of diameters was calculated to draw conclusions about the ability of the method to correctly describe the main trends of bandgap, quantum confinement, and self-energy corrections versus the diameter of the nanowire. Bandgaps are predicted with excellent accuracy if compared with other theoretical results like GW, and with the experiment as well, but with a low computational cost.

  11. Compact x-ray source and panel

    DOE Patents [OSTI]

    Sampayon, Stephen E.

    2008-02-12

    A compact, self-contained x-ray source, and a compact x-ray source panel having a plurality of such x-ray sources arranged in a preferably broad-area pixelized array. Each x-ray source includes an electron source for producing an electron beam, an x-ray conversion target, and a multilayer insulator separating the electron source and the x-ray conversion target from each other. The multi-layer insulator preferably has a cylindrical configuration with a plurality of alternating insulator and conductor layers surrounding an acceleration channel leading from the electron source to the x-ray conversion target. A power source is connected to each x-ray source of the array to produce an accelerating gradient between the electron source and x-ray conversion target in any one or more of the x-ray sources independent of other x-ray sources in the array, so as to accelerate an electron beam towards the x-ray conversion target. The multilayer insulator enables relatively short separation distances between the electron source and the x-ray conversion target so that a thin panel is possible for compactness. This is due to the ability of the plurality of alternating insulator and conductor layers of the multilayer insulators to resist surface flashover when sufficiently high acceleration energies necessary for x-ray generation are supplied by the power source to the x-ray sources.

  12. Relating to monitoring ion sources

    DOE Patents [OSTI]

    Orr, Christopher Henry; Luff, Craig Janson; Dockray, Thomas; Macarthur, Duncan Whittemore; Bounds, John Alan

    2002-01-01

    The apparatus and method provide techniques for monitoring the position on alpha contamination in or on items or locations. The technique is particularly applicable to pipes, conduits and other locations to which access is difficult. The technique uses indirect monitoring of alpha emissions by detecting ions generated by the alpha emissions. The medium containing the ions is moved in a controlled manner frog in proximity with the item or location to the detecting unit and the signals achieved over time are used to generate alpha source position information.

  13. CHINA SPALLATION NEUTRON SOURCE DESIGN.

    SciTech Connect (OSTI)

    WEI,J.

    2007-01-29

    The China Spallation Neutron Source (CSNS) is an accelerator-based high-power project currently in preparation under the direction of the Chinese Academy of Sciences (CAS). The complex is based on an H- linear accelerator, a rapid cycling proton synchrotron accelerating the beam to 1.6 GeV, a solid tungsten target station, and five initial instruments for spallation neutron applications. The facility will operate at 25 Hz repetition rate with a phase-I beam power of about 120 kW. The major challenge is to build a robust and reliable user's facility with upgrade potential at a fractional of ''world standard'' cost.

  14. Charge exchange molecular ion source

    DOE Patents [OSTI]

    Vella, Michael C.

    2003-06-03

    Ions, particularly molecular ions with multiple dopant nucleons per ion, are produced by charge exchange. An ion source contains a minimum of two regions separated by a physical barrier and utilizes charge exchange to enhance production of a desired ion species. The essential elements are a plasma chamber for production of ions of a first species, a physical separator, and a charge transfer chamber where ions of the first species from the plasma chamber undergo charge exchange or transfer with the reactant atom or molecules to produce ions of a second species. Molecular ions may be produced which are useful for ion implantation.

  15. The RHIC polarized source upgrade

    SciTech Connect (OSTI)

    Zelenski, A.; Atoian, G.; Davydenko, V.; Ivanov, A.; Kolmogorov, A.; Ritter, J.; Steski, D.; Zubets, V.

    2010-09-27

    The RHIC polarized H{sup -} ion source is being upgraded to higher intensity (5-10 mA) and polarization for use in the RHIC polarization physics program at enhanced luminosity RHIC operation. The higher beam peak intensity will allow reduction of the transverse beam emittance at injection to AGS to reduce polarization losses in AGS. There is also a planned RHIC luminosity upgrade by using the electron beam lens to compensate the beam-beam interaction at collision points. This upgrade is also essential for future BNL plans for a high-luminosity electron - proton (ion) Collider eRHIC.

  16. Storage Ring Synchrotron Radiation Sources

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

    srlogo_t.gif (19784 bytes) As of March 1, 2005 this WEB page is no longer updated. For future information about light sources go to Hyperlinks in the "RING (INST. )" column will bring up the facility's home page. Hyperlinks in the "NOTES" column will bring up the present status of the storage ring. LOCATION RING (INST.) ELECTRON ENERGY [GeV] NOTES ARMENIA Yerevan Candle 3.2 Design/Dedicated AUSTRALIA Melbourne Australian Synchrotron 3 Dedicated* BRAZIL Campinas LNLS 1.35

  17. Gamma source for active interrogation

    DOE Patents [OSTI]

    Leung, Ka-Ngo; Lou, Tak Pui; Barletta, William A.

    2012-10-02

    A cylindrical gamma generator includes a coaxial RF-driven plasma ion source and target. A hydrogen plasma is produced by RF excitation in a cylindrical plasma ion generator using an RF antenna. A cylindrical gamma generating target is coaxial with the ion generator, separated by plasma and extraction electrodes which has many openings. The plasma generator emanates ions radially over 360.degree. and the cylindrical target is thus irradiated by ions over its entire circumference. The plasma generator and target may be as long as desired.

  18. Gamma source for active interrogation

    DOE Patents [OSTI]

    Leung, Ka-Ngo; Lou, Tak Pui; Barletta, William A.

    2009-09-29

    A cylindrical gamma generator includes a coaxial RF-driven plasma ion source and target. A hydrogen plasma is produced by RF excitation in a cylindrical plasma ion generator using an RF antenna. A cylindrical gamma generating target is coaxial with the ion generator, separated by plasma and extraction electrodes which has many openings. The plasma generator emanates ions radially over 360.degree. and the cylindrical target is thus irradiated by ions over its entire circumference. The plasma generator and target may be as long as desired.

  19. SOURCE OF MICROBUNCHING AT BNL NSLS SOURCE DEVELOPMENT LABORATORY

    SciTech Connect (OSTI)

    Seletskiy, S.; Hidaka, Y.; Murphy, J.B.; Podobedov, B.; Qian, H.; Shen, Y.; Wang, J.; Yang, X.

    2011-03-28

    We report experimental studies of the origins of electron beam microbunching instability at BNL Source Development Laboratory (SDL). We eliminated laser-induced microbunching by utilizing an ultra-short photocathode laser. The measurements of the resulting electron beam led us to conclude that, at SDL, microbunching arising from shot noise is not amplified to any significant level. Our results demonstrated that the only source of microbunching instability at SDL is the longitudinal modulation of the photocathode laser pulse. Our work shows that assuring a longitudinally smoothed photocathode laser pulse allows mitigating microbunching instability at a typical FEL injector with a moderate microbunching gain. In this paper we investigated the source of microbunching instability at the SDL. To distinguish microbunching induced by shot noise from that arising from the longitudinal modulation of the photocathode laser, we studied the beam created by a very short laser pulse, thus eliminating the possibility of laser-induced microbunching. While the measured energy spectra of compressed beam did reveal severe longitudinal fragmentation, an analysis of the beam dynamics proved this to be due to self-fields acting on a beam with an initially smooth longitudinal profile, and not due to microbunching instability. Such fragmentation only was possible with the very short bunch chosen for these studies, and is absent in routine SDL operations. Our experiment shows that in the absence of the initial laser-induced beam modulation, microbunching instability at the SDL is not observed, and must be well below the levels that would limit the FEL performance. This result agrees with assumption of previous SDL studies that (when present under different machine conditions) microbunching instability at the SDL was laser-induced. Microbunching instability gain at the SDL is moderate. This is mainly because the SDL utilizes a single stage bunch compressor as well as due to the small compression ratio. Since the design of the SDL injector is typical of the majority of FEL injectors, our experiment proves that one possible way to control microbunching instability in such machines (that by design have a moderate microbunching gain) is to maintain a sufficiently smooth longitudinal profile of the photo-cathode laser. We note that the general principles for designing a machine with a moderate microbunching instability gain are presented in [12]. In conclusion, our experiment demonstrates that microbunching instability can be eliminated from a typical FEL injector with single stage bunch compressor (and operating without a laser heater) as long as the photocathode laser is longitudinally smooth. For machines with multi-stage bunch compressors, our results offer an important benchmark to establish a minimal laser heater power for instability-free operation.

  20. Detecting fission from special nuclear material sources

    DOE Patents [OSTI]

    Rowland, Mark S.; Snyderman, Neal J.

    2012-06-05

    A neutron detector system for discriminating fissile material from non-fissile material wherein a digital data acquisition unit collects data at high rate, and in real-time processes large volumes of data directly into information that a first responder can use to discriminate materials. The system comprises counting neutrons from the unknown source and detecting excess grouped neutrons to identify fission in the unknown source. The system includes a graphing component that displays the plot of the neutron distribution from the unknown source over a Poisson distribution and a plot of neutrons due to background or environmental sources. The system further includes a known neutron source placed in proximity to the unknown source to actively interrogate the unknown source in order to accentuate differences in neutron emission from the unknown source from Poisson distributions and/or environmental sources.

  1. Fluid jet electric discharge source

    DOE Patents [OSTI]

    Bender, Howard A.

    2006-04-25

    A fluid jet or filament source and a pair of coaxial high voltage electrodes, in combination, comprise an electrical discharge system to produce radiation and, in particular, EUV radiation. The fluid jet source is composed of at least two serially connected reservoirs, a first reservoir into which a fluid, that can be either a liquid or a gas, can be fed at some pressure higher than atmospheric and a second reservoir maintained at a lower pressure than the first. The fluid is allowed to expand through an aperture into a high vacuum region between a pair of coaxial electrodes. This second expansion produces a narrow well-directed fluid jet whose size is dependent on the size and configuration of the apertures and the pressure used in the reservoir. At some time during the flow of the fluid filament, a high voltage pulse is applied to the electrodes to excite the fluid to form a plasma which provides the desired radiation; the wavelength of the radiation being determined by the composition of the fluid.

  2. Multi-source ion funnel

    DOE Patents [OSTI]

    Tang, Keqi; Belov, Mikhail B.; Tolmachev, Aleksey V.; Udseth, Harold R.; Smith, Richard D.

    2005-12-27

    A method for introducing ions generated in a region of relatively high pressure into a region of relatively low pressure by providing at least two electrospray ion sources, providing at least two capillary inlets configured to direct ions generated by the electrospray sources into and through each of the capillary inlets, providing at least two sets of primary elements having apertures, each set of elements having a receiving end and an emitting end, the primary sets of elements configured to receive a ions from the capillary inlets at the receiving ends, and providing a secondary set of elements having apertures having a receiving end and an emitting end, the secondary set of elements configured to receive said ions from the emitting end of the primary sets of elements and emit said ions from said emitting end of the secondary set of elements. The method may further include the step of providing at least one jet disturber positioned within at least one of the sets of primary elements, providing a voltage, such as a dc voltage, in the jet disturber, thereby adjusting the transmission of ions through at least one of the sets of primary elements.

  3. Liquid metal ion source and alloy

    DOE Patents [OSTI]

    Clark, Jr., William M.; Utlaut, Mark W.; Behrens, Robert G.; Szklarz, Eugene G.; Storms, Edmund K.; Santandrea, Robert P.; Swanson, Lynwood W.

    1988-10-04

    A liquid metal ion source and alloy, wherein the species to be emitted from the ion source is contained in a congruently vaporizing alloy. In one embodiment, the liquid metal ion source acts as a source of arsenic, and in a source alloy the arsenic is combined with palladium, preferably in a liquid alloy having a range of compositions from about 24 to about 33 atomic percent arsenic. Such an alloy may be readily prepared by a combustion synthesis technique. Liquid metal ion sources thus prepared produce arsenic ions for implantation, have long lifetimes, and are highly stable in operation.

  4. Ab initio molecular orbital-configuration interaction based quantum master equation (MOQME) approach to the dynamic first hyperpolarizabilities of asymmetric π-conjugated systems

    SciTech Connect (OSTI)

    Kishi, Ryohei; Fujii, Hiroaki; Minami, Takuya; Shigeta, Yasuteru; Nakano, Masayoshi

    2015-01-22

    In this study, we apply the ab initio molecular orbital - configuration interaction based quantum master equation (MOQME) approach to the calculation and analysis of the dynamic first hyperpolarizabilities (β) of asymmetric π-conjugated molecules. In this approach, we construct the excited state models by the ab initio configuration interaction singles method. Then, time evolutions of system reduced density matrix ρ(t) and system polarization p(t) are calculated by the QME approach. Dynamic β in the second harmonic generation is calculated based on the nonperturbative definition of nonlinear optical susceptibility, using the frequency domain system polarization p(ω). Spatial contributions of electrons to β are analyzed based on the dynamic hyperpolarizability density map, which visualizes the second-order response of charge density oscillating with a frequency of 2ω. We apply the present method to the calculation of the dynamic β of a series of donor/acceptor substituted polyene oligomers, and then discuss the applicability of the MOQME method to the calculation and analysis of dynamic NLO properties of molecular systems.

  5. Ab Initio Calculation of Nuclear Magnetic Resonance Chemical Shift Anisotropy Tensors 1. Influence of Basis Set on the Calculation of 31P Chemical Shifts

    SciTech Connect (OSTI)

    Alam, T.M.

    1998-09-01

    The influence of changes in the contracted Gaussian basis set used for ab initio calculations of nuclear magnetic resonance (NMR) phosphorous chemical shift anisotropy (CSA) tensors was investigated. The isotropic chemical shitl and chemical shift anisotropy were found to converge with increasing complexity of the basis set at the Hartree-Fock @IF) level. The addition of d polarization function on the phosphorous nucIei was found to have a major impact of the calculated chemical shi~ but diminished with increasing number of polarization fimctions. At least 2 d polarization fimctions are required for accurate calculations of the isotropic phosphorous chemical shift. The introduction of density fictional theory (DFT) techniques through tie use of hybrid B3LYP methods for the calculation of the phosphorous chemical shift tensor resulted in a poorer estimation of the NMR values, even though DFT techniques result in improved energy and force constant calculations. The convergence of the W parametem with increasing basis set complexity was also observed for the DFT calculations, but produced results with consistent large deviations from experiment. The use of a HF 6-31 l++G(242p) basis set represents a good compromise between accuracy of the simulation and the complexity of the calculation for future ab initio calculations of 31P NMR parameters in larger complexes.

  6. Accurate high level ab initio-based global potential energy surface and dynamics calculations for ground state of CH{sub 2}{sup +}

    SciTech Connect (OSTI)

    Li, Y. Q.; Zhang, P. Y.; Han, K. L.

    2015-03-28

    A global many-body expansion potential energy surface is reported for the electronic ground state of CH{sub 2}{sup +} by fitting high level ab initio energies calculated at the multireference configuration interaction level with the aug-cc-pV6Z basis set. The topographical features of the new global potential energy surface are examined in detail and found to be in good agreement with those calculated directly from the raw ab initio energies, as well as previous calculations available in the literature. In turn, in order to validate the potential energy surface, a test theoretical study of the reaction CH{sup +}(X{sup 1}Σ{sup +})+H({sup 2}S)→C{sup +}({sup 2}P)+H{sub 2}(X{sup 1}Σ{sub g}{sup +}) has been carried out with the method of time dependent wavepacket on the title potential energy surface. The total integral cross sections and the rate coefficients have been calculated; the results determined that the new potential energy surface can both be recommended for dynamics studies of any type and as building blocks for constructing the potential energy surfaces of larger C{sup +}/H containing systems.

  7. The structural diversity of ABS{sub 3} compounds with d{sup 0} electronic configuration for the B-cation

    SciTech Connect (OSTI)

    Brehm, John A. Bennett, Joseph W.; Schoenberg, Michael Rutenberg; Grinberg, Ilya; Rappe, Andrew M.

    2014-06-14

    We use first-principles density functional theory within the local density approximation to ascertain the ground state structure of real and theoretical compounds with the formula ABS{sub 3} (A = K, Rb, Cs, Ca, Sr, Ba, Tl, Sn, Pb, and Bi; and B = Sc, Y, Ti, Zr, V, and Nb) under the constraint that B must have a d{sup 0} electronic configuration. Our findings indicate that none of these AB combinations prefer a perovskite ground state with corner-sharing BS{sub 6} octahedra, but that they prefer phases with either edge- or face-sharing motifs. Further, a simple two-dimensional structure field map created from A and B ionic radii provides a neat demarcation between combinations preferring face-sharing versus edge-sharing phases for most of these combinations. We then show that by modifying the common Goldschmidt tolerance factor with a multiplicative term based on the electronegativity difference between A and S, the demarcation between predicted edge-sharing and face-sharing ground state phases is enhanced. We also demonstrate that, by calculating the free energy contribution of phonons, some of these compounds may assume multiple phases as synthesis temperatures are altered, or as ambient temperatures rise or fall.

  8. Solenoid and monocusp ion source

    DOE Patents [OSTI]

    Brainard, John Paul; Burns, Erskine John Thomas; Draper, Charles Hadley

    1997-01-01

    An ion source which generates hydrogen ions having high atomic purity incorporates a solenoidal permanent magnets to increase the electron path length. In a sealed envelope, electrons emitted from a cathode traverse the magnetic field lines of a solenoid and a monocusp magnet between the cathode and a reflector at the monocusp. As electrons collide with gas, the molecular gas forms a plasma. An anode grazes the outer boundary of the plasma. Molecular ions and high energy electrons remain substantially on the cathode side of the cusp, but as the ions and electrons are scattered to the aperture side of the cusp, additional collisions create atomic ions. The increased electron path length allows for smaller diameters and lower operating pressures.

  9. Solenoid and monocusp ion source

    DOE Patents [OSTI]

    Brainard, J.P.; Burns, E.J.T.; Draper, C.H.

    1997-10-07

    An ion source which generates hydrogen ions having high atomic purity incorporates a solenoidal permanent magnets to increase the electron path length. In a sealed envelope, electrons emitted from a cathode traverse the magnetic field lines of a solenoid and a monocusp magnet between the cathode and a reflector at the monocusp. As electrons collide with gas, the molecular gas forms a plasma. An anode grazes the outer boundary of the plasma. Molecular ions and high energy electrons remain substantially on the cathode side of the cusp, but as the ions and electrons are scattered to the aperture side of the cusp, additional collisions create atomic ions. The increased electron path length allows for smaller diameters and lower operating pressures. 6 figs.

  10. Conventional power sources for colliders

    SciTech Connect (OSTI)

    Allen, M.A.

    1987-07-01

    At SLAC we are developing high peak-power klystrons to explore the limits of use of conventional power sources in future linear colliders. In an experimental tube we have achieved 150 MW at 1 ..mu..sec pulse width at 2856 MHz. In production tubes for SLAC Linear Collider (SLC) we routinely achieve 67 MW at 3.5 ..mu..sec pulse width and 180 pps. Over 200 of the klystrons are in routine operation in SLC. An experimental klystron at 8.568 GHz is presently under construction with a design objective of 30 MW at 1 ..mu..sec. A program is starting on the relativistic klystron whose performance will be analyzed in the exploration of the limits of klystrons at very short pulse widths.

  11. Insertion Devices & Brilliance | Advanced Photon Source

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

    light sources. Some, like the Advanced Light Source in California and the SuperACO in France, provide radiation in the ultravioletsoft x-ray part of the spectrum. The 7-GeV APS...

  12. Problems with packaged sources in foreign countries

    SciTech Connect (OSTI)

    Abeyta, Cristy L; Matzke, James L; Zarling, John; Tompkin, J. Andrew

    2010-01-01

    The Global Threat Reduction Initiative's (GTRI) Off-Site Source Recovery Project (OSRP), which is administered by the Los Alamos National Laboratory (LANL), removes excess, unwanted, abandoned, or orphan radioactive sealed sources that pose a potential threat to national security, public health, and safety. In total, GTRI/OSRP has been able to recover more than 25,000 excess and unwanted sealed sources from over 825 sites. In addition to transuranic sources, the GTRI/OSRP mission now includes recovery of beta/gamma emitting sources, which are of concern to both the U.S. government and the International Atomic Energy Agency (IAEA). This paper provides a synopsis of cooperative efforts in foreign countries to remove excess and unwanted sealed sources by discussing three topical areas: (1) The Regional Partnership with the International Atomic Energy Agency; (2) Challenges in repatriating sealed sources; and (3) Options for repatriating sealed sources.

  13. Driver circuit for solid state light sources

    DOE Patents [OSTI]

    Palmer, Fred; Denvir, Kerry; Allen, Steven

    2016-02-16

    A driver circuit for a light source including one or more solid state light sources, a luminaire including the same, and a method of so driving the solid state light sources are provided. The driver circuit includes a rectifier circuit that receives an alternating current (AC) input voltage and provides a rectified AC voltage. The driver circuit also includes a switching converter circuit coupled to the light source. The switching converter circuit provides a direct current (DC) output to the light source in response to the rectified AC voltage. The driver circuit also includes a mixing circuit, coupled to the light source, to switch current through at least one solid state light source of the light source in response to each of a plurality of consecutive half-waves of the rectified AC voltage.

  14. ThermaSource Inc | Open Energy Information

    Open Energy Info (EERE)

    ThermaSource Inc Jump to: navigation, search Name: ThermaSource Inc Place: Santa Rosa, California Zip: 95403 Sector: Geothermal energy, Services Product: A US-based company...

  15. Sources Sought | National Nuclear Security Administration

    National Nuclear Security Administration (NNSA)

    Sought Synopsis was issued on FedConnect.gov on September 9, 2013 under Reference No. DE-SOL-0005982. Sources Sought Modification 1 was issued on September 10, 2013. Sources...

  16. Vermont Source Testing Review | Open Energy Information

    Open Energy Info (EERE)

    ReviewLegal Abstract This form initiates the review and approval process for required studies and testing to be conducted on source(s) to serve Proposed or Existing Public...

  17. Colorado Nonpoint Source Website | Open Energy Information

    Open Energy Info (EERE)

    Source Website Jump to: navigation, search OpenEI Reference LibraryAdd to library Web Site: Colorado Nonpoint Source Website Abstract This is the website of the Colorado...

  18. Complex-Wide Strategic Sourcing- Update

    Broader source: Energy.gov [DOE]

    Policy Flash 2008-03 transmitted information on the enhanced strategic sourcing website as well as an order of precedence for considering the use of strategic sourcing agreements first. Policy...

  19. Tunable terahertz radiation source (Patent) | DOEPatents

    Office of Scientific and Technical Information (OSTI)

    Data Explorer Search Results Tunable terahertz radiation source Title: Tunable terahertz radiation source Terahertz radiation source and method of producing terahertz radiation, said source comprising a junction stack, said junction stack comprising a crystalline material comprising a plurality of self-synchronized intrinsic Josephson junctions; an electrically conductive material in contact with two opposing sides of said crystalline material; and a substrate layer disposed upon at least a

  20. Seeding Coherent Radiation Sources with Sawtooth Modulation ...

    Office of Scientific and Technical Information (OSTI)

    HARMONICS; INSTABILITY; MODULATION; PERFORMANCE; PHASE SPACE; POLARIZATION; RADIATION SOURCES; SATURATION; SEEDS; WAVE FORMS; WAVELENGTHS Accelerators,ACCPHY, SYNCHRAD, XFEL

  1. North Village Ground Source Heat Pumps

    Broader source: Energy.gov [DOE]

    Overview: Installation of Ground Source Heat Pumps. Replacement of Aging Heat Pumps. Alignment with Furmans Sustainability Goals.

  2. Sources for Office Supplies | Department of Energy

    Office of Environmental Management (EM)

    Sources for Office Supplies Sources for Office Supplies Consistent with the Office of Management and Budget's savings mandates and the Acting Director of the Office of Procurement and Assistance Management's memorandum entitled "Sources for Office Supplies," dated September 9, 2011, the Department of Energy (DOE) supports utilization of: (1) the General Service Administration's (GSA) Blanket Purchase Agreements (BPA) under the Federal Strategic Sourcing Initiative for Office Supplies

  3. Memorandum, Reporting of Radiological Sealed Sources Transactions

    Broader source: Energy.gov [DOE]

    The requirements for reporting transactions involving radiological sealed sources are identified in Department of Energy (DOE) Notice (N) 234.1, Reporting of Radioactive Sealed Sources. The data reported in accordance with DOE N 234.1 are maintained in the DOE Radiological Source Registry and Tracking (RSRT) database by the Office of Information Management, within the Office of Environment, Health, Safety and Security.

  4. WAC 173-400-110 - New Source Review for Sources and Portable...

    Open Energy Info (EERE)

    SourcesLegal Abstract Sets forth statutory requirements for review of new sources of air pollution. Published NA Year Signed or Took Effect 2012 Legal Citation WAC...

  5. LOW VOLTAGE 14 Mev NEUTRON SOURCE

    DOE Patents [OSTI]

    Little, R.N. Jr.; Graves, E.R.

    1959-09-29

    An apparatus yielding high-energy neutrons at the rate of 10/sup 8/ or more per second by the D,T or D,D reactions is described. The deuterium gas filling is ionized by electrons emitted from a filament, and the resulting ions are focused into a beam and accelerated against a fixed target. The apparatus is built in accordance with the relationship V/sub s/ = A--B log pd, where V/sub s/ is the sparking voltage, p the gas pressure, and d the gap length between the high voltage electrodes. Typical parameters to obtain the high neutron yields are 55 to 80 kv, 0.5 to 7.0 ma beam current, 5 to 12 microns D/sub 2/, and a gap length of 1 centimeter.

  6. Ion source based on the cathodic arc

    DOE Patents [OSTI]

    Sanders, David M. (Livermore, CA); Falabella, Steven (Livermore, CA)

    1994-01-01

    A cylindrically symmetric arc source to produce a ring of ions which leave the surface of the arc target radially and are reflected by electrostatic fields present in the source to a point of use, such as a part to be coated. An array of electrically isolated rings positioned in the source serves the dual purpose of minimizing bouncing of macroparticles and providing electrical insulation to maximize the electric field gradients within the source. The source also includes a series of baffles which function as a filtering or trapping mechanism for any macroparticles.

  7. Open Source Strategy | Department of Energy

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

    Commercial Buildings » Analysis Tools » Standard Energy Efficiency Data Platform » Open Source Strategy Open Source Strategy What is open source?"Open source" means that the software code is publicly available so that anyone can contribute to the code base and create add-on extensions. This enables the growth of a market of providers that can offer hosting and add-on functionalities that can be utilized by all SEED Platform(tm) users. More information about open source principles

  8. Ion source based on the cathodic arc

    DOE Patents [OSTI]

    Sanders, D.M.; Falabella, S.

    1994-02-01

    A cylindrically symmetric arc source to produce a ring of ions which leave the surface of the arc target radially and are reflected by electrostatic fields present in the source to a point of use, such as a part to be coated, is described. An array of electrically isolated rings positioned in the source serves the dual purpose of minimizing bouncing of macroparticles and providing electrical insulation to maximize the electric field gradients within the source. The source also includes a series of baffles which function as a filtering or trapping mechanism for any macroparticles. 3 figures.

  9. High stability wavefront reference source

    DOE Patents [OSTI]

    Feldman, M.; Mockler, D.J.

    1994-05-03

    A thermally and mechanically stable wavefront reference source which produces a collimated output laser beam is disclosed. The output beam comprises substantially planar reference wavefronts which are useful for aligning and testing optical interferometers. The invention receives coherent radiation from an input optical fiber, directs a diverging input beam of the coherent radiation to a beam folding mirror (to produce a reflected diverging beam), and collimates the reflected diverging beam using a collimating lens. In a class of preferred embodiments, the invention includes a thermally and mechanically stable frame comprising rod members connected between a front end plate and a back end plate. The beam folding mirror is mounted on the back end plate, and the collimating lens mounted to the rods between the end plates. The end plates and rods are preferably made of thermally stable metal alloy. Preferably, the input optical fiber is a single mode fiber coupled to an input end of a second single mode optical fiber that is wound around a mandrel fixedly attached to the frame of the apparatus. The output end of the second fiber is cleaved so as to be optically flat, so that the input beam emerging therefrom is a nearly perfect diverging spherical wave. 7 figures.

  10. High stability wavefront reference source

    DOE Patents [OSTI]

    Feldman, Mark; Mockler, Daniel J.

    1994-01-01

    A thermally and mechanically stable wavefront reference source which produces a collimated output laser beam. The output beam comprises substantially planar reference wavefronts which are useful for aligning and testing optical interferometers. The invention receives coherent radiation from an input optical fiber, directs a diverging input beam of the coherent radiation to a beam folding mirror (to produce a reflected diverging beam), and collimates the reflected diverging beam using a collimating lens. In a class of preferred embodiments, the invention includes a thermally and mechanically stable frame comprising rod members connected between a front end plate and a back end plate. The beam folding mirror is mounted on the back end plate, and the collimating lens mounted to the rods between the end plates. The end plates and rods are preferably made of thermally stable metal alloy. Preferably, the input optical fiber is a single mode fiber coupled to an input end of a second single mode optical fiber that is wound around a mandrel fixedly attached to the frame of the apparatus. The output end of the second fiber is cleaved so as to be optically flat, so that the input beam emerging therefrom is a nearly perfect diverging spherical wave.

  11. International workshop on cold neutron sources

    SciTech Connect (OSTI)

    Russell, G.J.; West, C.D. )

    1991-08-01

    The first meeting devoted to cold neutron sources was held at the Los Alamos National Laboratory on March 5--8, 1990. Cosponsored by Los Alamos and Oak Ridge National Laboratories, the meeting was organized as an International Workshop on Cold Neutron Sources and brought together experts in the field of cold-neutron-source design for reactors and spallation sources. Eighty-four people from seven countries attended. Because the meeting was the first of its kind in over forty years, much time was spent acquainting participants with past and planned activities at reactor and spallation facilities worldwide. As a result, the meeting had more of a conference flavor than one of a workshop. The general topics covered at the workshop included: Criteria for cold source design; neutronic predictions and performance; energy deposition and removal; engineering design, fabrication, and operation; material properties; radiation damage; instrumentation; safety; existing cold sources; and future cold sources.

  12. Study of the thermodynamic properties of CeO{sub 2} from ab initio calculations: The effect of phonon-phonon interaction

    SciTech Connect (OSTI)

    Niu, Zhen-Wei; Zeng, Zhao-Yi; Hu, Cui-E; Cai, Ling-Cang; Chen, Xiang-Rong

    2015-01-07

    The thermodynamic properties of CeO{sub 2} have been reevaluated by a simple but accurate scheme. All our calculations are based on the self-consistent ab initio lattice dynamical (SCAILD) method that goes beyond the quasiharmonic approximation. Through this method, the effects of phonon-phonon interactions are included. The obtained thermodynamic properties and phonon dispersion relations are in good agreement with experimental data when considering the correction of phonon-phonon interaction. We find that the correction of phonon-phonon interaction is equally important and should not be neglected. At last, by comparing with quasiharmonic approximation, the present scheme based on SCAILD method is probably more suitable for high temperature systems.

  13. Preferential Eu Site Occupation and Its Consequences in the Ternary Luminescent HalidesAB2I5:Eu2+(A=Li–Cs;B=Sr, Ba)

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

    Fang, C.  M.; Biswas, Koushik

    2015-07-22

    Several rare-earth-doped, heavy-metal halides have recently been identified as potential next-generation luminescent materials with high efficiency at low cost. AB2I5:Eu2+ (A=Li–Cs; B=Sr, Ba) is one such family of halides. Its members, such as CsBa2I5:Eu2+ and KSr2I5:Eu2+, are currently being investigated as high-performance scintillators with improved sensitivity, light yield, and energy resolution less than 3% at 662 keV. Within the AB2I5 family, our first-principles-based calculations reveal two remarkably different trends in Eu site occupation. The substitutional Eu ions occupy both eightfold-coordinated B1(VIII) and the sevenfold-coordinated B2(VII) sites in the Sr-containing compounds. However, in the Ba-containing crystals, Eu ions strongly prefer themore » B2(VII)sites. This random versus preferential distribution of Eu affects their electronic properties. The calculations also suggest that in the Ba-containing compounds one can expect the formation of Eu-rich domains. These results provide atomistic insight into recent experimental observations about the concentration and temperature effects in Eu-doped CsBa2I5. We discuss the implications of our results with respect to luminescent properties and applications. We also hypothesize Sr, Ba-mixed quaternary iodides ABaVIIISrVIII5:Eu as scintillators having enhanced homogeneity and electronic properties.« less

  14. Preferential Eu Site Occupation and Its Consequences in the Ternary Luminescent HalidesAB2I5:Eu2+(A=Li–Cs;B=Sr, Ba)

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

    Fang, C.  M.; Biswas, Koushik

    2015-07-22

    Several rare-earth-doped, heavy-metal halides have recently been identified as potential next-generation luminescent materials with high efficiency at low cost. AB2I5:Eu2+ (A=Li–Cs; B=Sr, Ba) is one such family of halides. Its members, such as CsBa2I5:Eu2+ and KSr2I5:Eu2+, are currently being investigated as high-performance scintillators with improved sensitivity, light yield, and energy resolution less than 3% at 662 keV. Within the AB2I5 family, our first-principles-based calculations reveal two remarkably different trends in Eu site occupation. The substitutional Eu ions occupy both eightfold-coordinated B1(VIII) and the sevenfold-coordinated B2(VII) sites in the Sr-containing compounds. However, in the Ba-containing crystals, Eu ions strongly prefer themore »B2(VII)sites. This random versus preferential distribution of Eu affects their electronic properties. The calculations also suggest that in the Ba-containing compounds one can expect the formation of Eu-rich domains. These results provide atomistic insight into recent experimental observations about the concentration and temperature effects in Eu-doped CsBa2I5. We discuss the implications of our results with respect to luminescent properties and applications. We also hypothesize Sr, Ba-mixed quaternary iodides ABaVIIISrVIII5:Eu as scintillators having enhanced homogeneity and electronic properties.« less

  15. Does not take an "=" as part of the name of a source file.

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

    f90main.o: In function main': f90main.c:(.text+0x3c): undefined reference to MAIN' > cat ab.f program ab print *,"this shows a problem with pgi" end When the PGI compiler is...

  16. Spent Sealed Sources Management in Switzerland - 12011

    SciTech Connect (OSTI)

    Beer, H.F.

    2012-07-01

    Information is provided about the international recommendations for the safe management of disused and spent sealed radioactive sources wherein the return to the supplier or manufacturer is encouraged for large radioactive sources. The legal situation in Switzerland is described mentioning the demand of minimization of radioactive waste as well as the situation with respect to the interim storage facility at the Paul Scherrer Institute (PSI). Based on this information and on the market situation with a shortage of some medical radionuclides the management of spent sealed sources is provided. The sources are sorted according to their activity in relation to the nuclide-specific A2-value and either recycled as in the case of high active sources or conditioned as in the case for sources with lower activity. The results are presented as comparison between recycled and conditioned activity for three selected nuclides, i.e. Cs-137, Co-60 and Am-241. (author)

  17. ULTRA STEEP SPECTRUM RADIO SOURCES IN THE LOCKMAN HOLE: SERVS IDENTIFICATIONS AND REDSHIFT DISTRIBUTION AT THE FAINTEST RADIO FLUXES

    SciTech Connect (OSTI)

    Afonso, J.; Bizzocchi, L.; Grossi, M.; Messias, H.; Fernandes, C. A. C.; Ibar, E.; Ivison, R. J.; Simpson, C.; Chapman, S.; Gonzalez-Solares, E.; Jarvis, M. J.; Rottgering, H.; Norris, R. P.; Dunlop, J.; Best, P.; Pforr, J.; Vaccari, M.; Seymour, N.; Farrah, D.; Huang, J.-S.; and others

    2011-12-20

    Ultra steep spectrum (USS) radio sources have been successfully used to select powerful radio sources at high redshifts (z {approx}> 2). Typically restricted to large-sky surveys and relatively bright radio flux densities, it has gradually become possible to extend the USS search to sub-mJy levels, thanks to the recent appearance of sensitive low-frequency radio facilities. Here a first detailed analysis of the nature of the faintest USS sources is presented. By using Giant Metrewave Radio Telescope and Very Large Array radio observations of the Lockman Hole at 610 MHz and 1.4 GHz, a sample of 58 USS sources, with 610 MHz integrated fluxes above 100 {mu}Jy, is assembled. Deep infrared data at 3.6 and 4.5 {mu}m from the Spitzer Extragalactic Representative Volume Survey (SERVS) are used to reliably identify counterparts for 48 (83%) of these sources, showing an average total magnitude of [3.6]{sub AB} = 19.8 mag. Spectroscopic redshifts for 14 USS sources, together with photometric redshift estimates, improved by the use of the deep SERVS data, for a further 19 objects, show redshifts ranging from z = 0.1 to z = 2.8, peaking at z {approx} 0.6 and tailing off at high redshifts. The remaining 25 USS sources, with no redshift estimate, include the faintest [3.6] magnitudes, with 10 sources undetected at 3.6 and 4.5 {mu}m (typically [3.6] {approx}> 22-23 mag from local measurements), which suggests the likely existence of higher redshifts among the sub-mJy USS population. The comparison with the Square Kilometre Array Design Studies Simulated Skies models indicates that Fanaroff-Riley type I radio sources and radio-quiet active galactic nuclei may constitute the bulk of the faintest USS population, and raises the possibility that the high efficiency of the USS technique for the selection of high-redshift sources remains even at the sub-mJy level.

  18. Industry Group Learns About Light Source Opportunities

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

    Industry Group Learns About Light Source Opportunities Industry Group Learns About Light Source Opportunities Print Tuesday, 25 September 2012 08:45 On Monday, September 24, the Silicon Valley Leadership Group (SVLG) hosted a meeting to introduce its members to the area's light sources and how they help advance innovation and promote economic competitiveness. The event was sponsored by Congresswomen Zoe Lofgren and Anna Eshoo together with Berkeley Lab (LBNL) and SLAC National Accelerator

  19. HTGR Mechanistic Source Terms White Paper

    SciTech Connect (OSTI)

    Wayne Moe

    2010-07-01

    The primary purposes of this white paper are: (1) to describe the proposed approach for developing event specific mechanistic source terms for HTGR design and licensing, (2) to describe the technology development programs required to validate the design methods used to predict these mechanistic source terms and (3) to obtain agreement from the NRC that, subject to appropriate validation through the technology development program, the approach for developing event specific mechanistic source terms is acceptable

  20. Promising Technology: Ground Source Heat Pumps

    Broader source: Energy.gov [DOE]

    Ground source heat pumps (GSHP) use the constant temperature of the Earth as the heat exchange medium instead of the outside air temperature. During the winter, a GSHP uses the ground as a heat source to provide heating, and during the summer, a GSHP uses the ground as a heat sink to provide cooling. Although more expensive than air-source heat pumps, GSHP’s are much more efficient, especially in cold temperatures.

  1. Determination of Sugars, Byproducts, and Degradation Products...

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

    ... 14.6 Sample size: 15 - 80 mL (50 mL minimum recommended) 14.7 Sample storage: Store samples in sealed containers so the volatile component concentration remains consistent. ...

  2. Table Definitions, Sources, and Explanatory Notes

    Gasoline and Diesel Fuel Update (EIA)

    arbitrary scale expressing the gravity or density of liquid petroleum products. ... For definitions of related energy terms, refer to the EIA Energy Glossary. Sources 1973-1978: ...

  3. Table Definitions, Sources, and Explanatory Notes

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

    arbitrary scale expressing the gravity or density of liquid petroleum products. ... For definitions of related energy terms, refer to the EIA Energy Glossary. Sources Energy ...

  4. Integrating multiple data sources for malware classification

    DOE Patents [OSTI]

    Anderson, Blake Harrell; Storlie, Curtis B; Lane, Terran

    2015-04-28

    Disclosed herein are representative embodiments of tools and techniques for classifying programs. According to one exemplary technique, at least one graph representation of at least one dynamic data source of at least one program is generated. Also, at least one graph representation of at least one static data source of the at least one program is generated. Additionally, at least using the at least one graph representation of the at least one dynamic data source and the at least one graph representation of the at least one static data source, the at least one program is classified.

  5. ION SOURCE WITH SPACE CHARGE NEUTRALIZATION

    DOE Patents [OSTI]

    Flowers, J.W.; Luce, J.S.; Stirling, W.L.

    1963-01-22

    This patent relates to a space charge neutralized ion source in which a refluxing gas-fed arc discharge is provided between a cathode and a gas-fed anode to provide ions. An electron gun directs a controlled, monoenergetic electron beam through the discharge. A space charge neutralization is effected in the ion source and accelerating gap by oscillating low energy electrons, and a space charge neutralization of the source exit beam is effected by the monoenergetic electron beam beyond the source exit end. The neutralized beam may be accelerated to any desired energy at densities well above the limitation imposed by Langmuir-Child' s law. (AEC)

  6. Mission and Goals | Advanced Photon Source

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

    Mission and Goals The mission of the Advanced Photon Source (APS) is to deliver world-class science and technology by operating an outstanding synchrotron radiation research...

  7. Astronomy Particle Physics Light Sources Genomics

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

    1 - 2 Astronomy Particle Physics Light Sources Genomics Climate * Big Data Software - Broad ecosystem of capabilities and technologies - Research and evaluate - Customize and...

  8. High intensity, pulsed thermal neutron source

    DOE Patents [OSTI]

    Carpenter, J.M.

    1973-12-11

    This invention relates to a high intensity, pulsed thermal neutron source comprising a neutron-producing source which emits pulses of fast neutrons, a moderator block adjacent to the last neutron source, a reflector block which encases the fast neutron source and the moderator block and has a thermal neutron exit port extending therethrough from the moderator block, and a neutron energy- dependent decoupling reflector liner covering the interior surfaces of the thermal neutron exit port and surrounding all surfaces of the moderator block except the surface viewed by the thermal neutron exit port. (Official Gazette)

  9. " Row: NAICS Codes; Column: Energy Sources...

    U.S. Energy Information Administration (EIA) Indexed Site

    ..."Coal","Breeze","Other(g)","Produced Onsite(h)" ,,"Total United States" ... See also" "Footnote 'i'." " (h) 'Shipments of Energy Sources Produced Onsite' are those ...

  10. Carbothermic reduction with parallel heat sources

    DOE Patents [OSTI]

    Troup, Robert L. (Murrysville, PA); Stevenson, David T. (Washington Township, Washington County, PA)

    1984-12-04

    Disclosed are apparatus and method of carbothermic direct reduction for producing an aluminum alloy from a raw material mix including aluminum oxide, silicon oxide, and carbon wherein parallel heat sources are provided by a combustion heat source and by an electrical heat source at essentially the same position in the reactor, e.g., such as at the same horizontal level in the path of a gravity-fed moving bed in a vertical reactor. The present invention includes providing at least 79% of the heat energy required in the process by the electrical heat source.

  11. Controlling NOx emission from industrial sources

    SciTech Connect (OSTI)

    Srivastava, R.K.; Nueffer, W.; Grano, D.; Khan, S.; Staudt, J.E.; Jozewicz, W.

    2005-07-01

    A number of regulatory actions focused on reducing NOx emissions from stationary combustion sources have been taken in the United States in the last decade. These actions include the Acid Rain NOx regulations, the Ozone Transport Commission's NOx Budget Program, and the NOx SIP Call rulemakings. In addition to these regulations, the recent Interstate Air Quality Rulemaking proposal and other bills in the Congress are focusing on additional reductions of NOx. Industrial combustion sources accounted for about 18016 of NOx emissions in the United States in 2000 and constituted the second largest emitting source category within stationary sources, only behind electric utility sources. Based on these data, reduction of NOx emissions from industrial combustion sources is an important consideration in efforts undertaken to address the environmental concerns associated with NOx. This paper discusses primary and secondary NOx control technologies applicable to various major categories of industrial sources. The sources considered in this paper include large boilers, furnaces and fired heaters, combustion turbines, large IC engines, and cement kilns. For each source category considered in this paper, primary NOx controls are discussed first, followed by a discussion of secondary NOx controls.

  12. Oregon Nonpoint Source Program Implementation Webpage | Open...

    Open Energy Info (EERE)

    Implementation Webpage Jump to: navigation, search OpenEI Reference LibraryAdd to library Web Site: Oregon Nonpoint Source Program Implementation Webpage Abstract Provides...

  13. Prestressed glass, aezoelectric electrical power source

    DOE Patents [OSTI]

    Newson, Melvin M.

    1976-01-01

    An electrical power source which comprises a body of prestressed glass having a piezoelectric transducer supported on the body in direct mechanical coupling therewith.

  14. Memorandum, Reporting of Radiological Sealed Sources Transactions...

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

    The requirements for reporting transactions involving radiological sealed sources are identified in Department of Energy (DOE) Notice (N) 234.1, Reporting of Radioactive Sealed ...

  15. higher penetration of renewable energy sources

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

    higher penetration of renewable energy sources - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy ...

  16. Green Source Consulting | Open Energy Information

    Open Energy Info (EERE)

    Consulting Jump to: navigation, search Name: Green Source Consulting Place: Wien Vienna, Austria Zip: 1010 Product: Private Austrian project developer with a focus in the Central...

  17. Alternative Energy Sources - An Interdisciplinary Module for...

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

    Find activities focused on renewable energy sources such as solar and wind. Curriculum Science, Mathematics, Language Arts Plan Time Varies by activity Materials Vary by activity ...

  18. Alaska Local Ordinances Governing Nonpoint Source Pollution ...

    Open Energy Info (EERE)

    Not Provided DOI Not Provided Check for DOI availability: http:crossref.org Online Internet link for Alaska Local Ordinances Governing Nonpoint Source Pollution Citation Alaska...

  19. Environmental Assessment Radioactive Source Recovery Program

    SciTech Connect (OSTI)

    1995-12-20

    In a response to potential risks to public health and safety, the U.S. Department of Energy (DOE) is evaluating the recovery of sealed neutron sources under the Radioactive Source Recovery Program (RSRP). This proposed program would enhance the DOE`s and the U.S. Nuclear Regulatory Commission`s (NRC`s) joint capabilities in the safe management of commercially held radioactive source materials. Currently there are no federal or commercial options for the recovery, storage, or disposal of sealed neutron sources. This Environmental Assessment (EA) analyzes the potential environmental impacts that would be expected to occur if the DOE were to implement a program for the receipt and recovery at the Los Alamos National Laboratory (LANL), Los Alamos, New Mexico, of unwanted and excess plutonium-beryllium ({sup 238}Pu-Be) and americium-beryllium ({sup 241}Am-Be) sealed neutron sources. About 1 kg (2.2 lb) plutonium and 3 kg (6.6 lb) americium would be recovered over a 15-year project. Personnel at LANL would receive neutron sources from companies, universities, source brokers, and government agencies across the country. These neutron sources would be temporarily stored in floor holes at the CMR Hot Cell Facility. Recovery reduces the neutron emissions from the source material and refers to a process by which: (1) the stainless steel cladding is removed from the neutron source material, (2) the mixture of the radioactive material (Pu-238 or Am-241) and beryllium that constitutes the neutron source material is chemically separated (recovered), and (3) the recovered Pu-238 or Am-241 is converted to an oxide form ({sup 238}PuO{sub 2} or {sup 241}AmO{sub 2}). The proposed action would include placing the {sup 238}PuO{sub 2} or {sup 241}AmO{sub 2} in interim storage in a special nuclear material vault at the LANL Plutonium Facility.

  20. Natural Gas Regulation - Other Gas-Related Information Sources...

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

    Natural Gas Regulation - Other Gas-Related Information Sources Natural Gas Regulation - Other Gas-Related Information Sources The single largest source of energy information...

  1. Renewable Energy Sources - Energy Explained, Your Guide To Understandi...

    U.S. Energy Information Administration (EIA) Indexed Site

    ... Source: Stock photography (copyrighted) What role does renewable energy play in the United ... Source: Stock photography (copyrighted) A wind farm wind farm Source: Stock photography ...

  2. National Synchrotron Light Source II (NSLS-II) Project | Department...

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

    National Synchrotron Light Source II (NSLS-II) Project National Synchrotron Light Source II (NSLS-II) Project National Synchrotron Light Source II (NSLS-II) Project Frank ...

  3. OLED Testing Call for Sources | Department of Energy

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

    OLED Testing Call for Sources OLED Testing Call for Sources PDF icon OLED Testing Call for Sources - November 2015 More Documents & Publications CX-010821: Categorical Exclusion ...

  4. Improved Characterization and Monitoring of Electromagnetic Sources -

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

    Energy Innovation Portal Energy Analysis Energy Analysis Electricity Transmission Electricity Transmission Find More Like This Return to Search Improved Characterization and Monitoring of Electromagnetic Sources Lawrence Livermore National Laboratory Contact LLNL About This Technology Technology Marketing Summary LLNL's technology is useful in fields such as power systems engineering, security monitoring, and vehicle tracking to identify, locate and monitor a particular source of

  5. Microwave-driven ultraviolet light sources

    DOE Patents [OSTI]

    Manos, Dennis M.; Diggs, Jessie; Ametepe, Joseph D.

    2002-01-29

    A microwave-driven ultraviolet (UV) light source is provided. The light source comprises an over-moded microwave cavity having at least one discharge bulb disposed within the microwave cavity. At least one magnetron probe is coupled directly to the microwave cavity.

  6. Beam current controller for laser ion source

    SciTech Connect (OSTI)

    Okamura, Masahiro

    2014-10-28

    The present invention relates to the design and use of an ion source with a rapid beam current controller for experimental and medicinal purposes. More particularly, the present invention relates to the design and use of a laser ion source with a magnetic field applied to confine a plasma flux caused by laser ablation.

  7. Power conditioning system for energy sources

    DOE Patents [OSTI]

    Mazumder, Sudip K.; Burra, Rajni K.; Acharya, Kaustuva

    2008-05-13

    Apparatus for conditioning power generated by an energy source includes an inverter for converting a DC input voltage from the energy source to a square wave AC output voltage, and a converter for converting the AC output voltage from the inverter to a sine wave AC output voltage.

  8. FERMI LARGE AREA TELESCOPE SECOND SOURCE CATALOG

    SciTech Connect (OSTI)

    Nolan, P. L.; Ajello, M.; Allafort, A.; Bechtol, K.; Berenji, B.; Blandford, R. D.; Bloom, E. D.; Abdo, A. A.; Ackermann, M.; Antolini, E.; Bonamente, E.; Atwood, W. B.; Belfiore, A.; Axelsson, M.; Baldini, L.; Bellazzini, R.; Ballet, J.; Bastieri, D.; Bignami, G. F. E-mail: Gino.Tosti@pg.infn.it E-mail: tburnett@u.washington.edu; and others

    2012-04-01

    We present the second catalog of high-energy {gamma}-ray sources detected by the Large Area Telescope (LAT), the primary science instrument on the Fermi Gamma-ray Space Telescope (Fermi), derived from data taken during the first 24 months of the science phase of the mission, which began on 2008 August 4. Source detection is based on the average flux over the 24 month period. The second Fermi-LAT catalog (2FGL) includes source location regions, defined in terms of elliptical fits to the 95% confidence regions and spectral fits in terms of power-law, exponentially cutoff power-law, or log-normal forms. Also included are flux measurements in five energy bands and light curves on monthly intervals for each source. Twelve sources in the catalog are modeled as spatially extended. We provide a detailed comparison of the results from this catalog with those from the first Fermi-LAT catalog (1FGL). Although the diffuse Galactic and isotropic models used in the 2FGL analysis are improved compared to the 1FGL catalog, we attach caution flags to 162 of the sources to indicate possible confusion with residual imperfections in the diffuse model. The 2FGL catalog contains 1873 sources detected and characterized in the 100 MeV to 100 GeV range of which we consider 127 as being firmly identified and 1171 as being reliably associated with counterparts of known or likely {gamma}-ray-producing source classes.

  9. Portable thermo-photovoltaic power source

    DOE Patents [OSTI]

    Zuppero, Anthony C.; Krawetz, Barton; Barklund, C. Rodger; Seifert, Gary D.

    1997-01-14

    A miniature thermo-photovoltaic (TPV) device for generation of electrical power for use in portable electronic devices. A TPV power source is constructed to provide a heat source chemical reactor capable of using various fuels, such as liquid hydrocarbons, including but not limited to propane, LPG, butane, alcohols, oils and diesel fuels to generate a source of photons. A reflector dish guides misdirected photon energy from the photon source toward a photovoltaic array. A thin transparent protector sheet is disposed between the photon source and the array to reflect back thermal energy that cannot be converted to electricity, and protect the array from thermal damage. A microlens disposed between the protector sheet and the array further focuses the tailored band of photon energy from the photon source onto an array of photovoltaic cells, whereby the photon energy is converted to electrical power. A heat recuperator removes thermal energy from reactor chamber exhaust gases, preferably using mini- or micro-bellows to force air and fuel past the exhaust gases, and uses the energy to preheat the fuel and oxidant before it reaches the reactor, increasing system efficiency. Mini- or micro-bellows force ambient air through the system both to supply oxidant and to provide cooling. Finally, an insulator, which is preferably a super insulator, is disposed around the TPV power source to reduce fuel consumption, and to keep the TPV power source cool to the touch so it can be used in hand-held devices.

  10. Inductively generated streaming plasma ion source

    DOE Patents [OSTI]

    Glidden, Steven C.; Sanders, Howard D.; Greenly, John B.

    2006-07-25

    A novel pulsed, neutralized ion beam source is provided. The source uses pulsed inductive breakdown of neutral gas, and magnetic acceleration and control of the resulting plasma, to form a beam. The beam supplies ions for applications requiring excellent control of ion species, low remittance, high current density, and spatial uniformity.

  11. X-ray source safety shutter

    DOE Patents [OSTI]

    Robinet, McLouis

    1977-05-31

    An apparatus is provided for controlling the activation of a high energy radiation source having a shutter. The apparatus includes magnets and magnetically responsive switches appropriately placed and interconnected so that only with the shutter and other parts of the source in proper position can safe emission of radiation out an open shutter occur.

  12. SOURCE OF PRODUCTS OF NUCLEAR FISSION

    DOE Patents [OSTI]

    Harteck, P.; Dondes, S.

    1960-03-15

    A source of fission product recoil energy suitable for use in radiation chemistry is reported. The source consists of thermal neutron irradiated glass wool having a diameter of 1 to 5 microns and containing an isotope fissionable by thermal neutrons, such as U/sup 235/.

  13. SHIELDING ANALYSIS FOR PORTABLE GAUGING COMBINATION SOURCES

    SciTech Connect (OSTI)

    J. TOMPKINS; L. LEONARD; ET AL

    2000-08-01

    Radioisotopic decay has been used as a source of photons and neutrons for industrial gauging operations since the late 1950s. Early portable moisture/density gauging equipment used Americium (Am)-241/Beryllium (Be)/Cesium (Cs)-137 combination sources to supply the required nuclear energy for gauging. Combination sources typically contained 0.040 Ci of Am-241 and 0.010 Ci of CS-137 in the same source capsule. Most of these sources were manufactured approximately 30 years ago. Collection, transportation, and storage of these sources once removed from their original device represent a shielding problem with distinct gamma and neutron components. The Off-Site Source Recovery (OSR) Project is planning to use a multi-function drum (MFD) for the collection, shipping, and storage of AmBe sources, as well as the eventual waste package for disposal. The MFD is an approved TRU waste container design for DOE TRU waste known as the 12 inch Pipe Component Overpack. As the name indicates, this drum is based on a 12 inch ID stainless steel weldment approximately 25 inch in internal length. The existing drum design allows for addition of shielding within the pipe component up to the 110 kg maximum pay load weight. The 12 inch pipe component is packaged inside a 55-gallon drum, with the balance of the interior space filled with fiberboard dunnage. This packaging geometry is similar to the design of a DOT 6M, Type B shipping container.

  14. THE HST/ACS COMA CLUSTER SURVEY. II. DATA DESCRIPTION AND SOURCE CATALOGS

    SciTech Connect (OSTI)

    Hammer, Derek; Verdoes Kleijn, Gijs; Den Brok, Mark; Peletier, Reynier F.; Hoyos, Carlos; Balcells, Marc; Aguerri, Alfonso L.; Ferguson, Henry C.; Goudfrooij, Paul; Carter, David; Guzman, Rafael; Smith, Russell J.; Lucey, John R.; Graham, Alister W.; Trentham, Neil; Peng, Eric; Puzia, Thomas H.; Jogee, Shardha; Batcheldor, Dan; Bridges, Terry J.

    2010-11-15

    The Coma cluster, Abell 1656, was the target of an HST-ACS Treasury program designed for deep imaging in the F475W and F814W passbands. Although our survey was interrupted by the ACS instrument failure in early 2007, the partially completed survey still covers {approx}50% of the core high-density region in Coma. Observations were performed for 25 fields that extend over a wide range of cluster-centric radii ({approx}1.75 Mpc or 1{sup 0}) with a total coverage area of 274 arcmin{sup 2}. The majority of the fields are located near the core region of Coma (19/25 pointings) with six additional fields in the southwest region of the cluster. In this paper, we present reprocessed images and SEXTRACTOR source catalogs for our survey fields, including a detailed description of the methodology used for object detection and photometry, the subtraction of bright galaxies to measure faint underlying objects, and the use of simulations to assess the photometric accuracy and completeness of our catalogs. We also use simulations to perform aperture corrections for the SEXTRACTOR Kron magnitudes based only on the measured source flux and its half-light radius. We have performed photometry for {approx}73,000 unique objects; approximately one-half of our detections are brighter than the 10{sigma} point-source detection limit at F814W = 25.8 mag (AB). The slight majority of objects (60%) are unresolved or only marginally resolved by ACS. We estimate that Coma members are 5%-10% of all source detections, which consist of a large population of unresolved compact sources (primarily globular clusters but also ultra-compact dwarf galaxies) and a wide variety of extended galaxies from a cD galaxy to dwarf low surface brightness galaxies. The red sequence of Coma member galaxies has a color-magnitude relation with a constant slope and dispersion over 9 mag (-21 < M {sub F814W} < -13). The initial data release for the HST-ACS Coma Treasury program was made available to the public in 2008 August. The images and catalogs described in this study relate to our second data release.

  15. Apparatus for safeguarding a radiological source

    DOE Patents [OSTI]

    Bzorgi, Fariborz M

    2014-10-07

    A tamper detector is provided for safeguarding a radiological source that is moved into and out of a storage location through an access porthole for storage and use. The radiological source is presumed to have an associated shipping container approved by the U.S. Nuclear Regulatory Commission for transporting the radiological source. The tamper detector typically includes a network of sealed tubing that spans at least a portion of the access porthole. There is an opening in the network of sealed tubing that is large enough for passage therethrough of the radiological source and small enough to prevent passage therethrough of the associated shipping cask. Generally a gas source connector is provided for establishing a gas pressure in the network of sealed tubing, and a pressure drop sensor is provided for detecting a drop in the gas pressure below a preset value.

  16. Electrospray ion source with reduced analyte electrochemistry

    DOE Patents [OSTI]

    Kertesz, Vilmos; Van Berkel, Gary J

    2013-07-30

    An electrospray ion (ESI) source and method capable of ionizing an analyte molecule without oxidizing or reducing the analyte of interest. The ESI source can include an emitter having a liquid conduit, a working electrode having a liquid contacting surface, a spray tip, a secondary working electrode, and a charge storage coating covering partially or fully the liquid contacting surface of the working electrode. The liquid conduit, the working electrode and the secondary working electrode can be in liquid communication. The electrospray ion source can also include a counter electrode proximate to, but separated from, said spray tip. The electrospray ion source can also include a power system for applying a voltage difference between the working electrodes and a counter-electrode. The power system can deliver pulsed voltage changes to the working electrodes during operation of said electrospray ion source to minimize the surface potential of the charge storage coating.

  17. Electrospray ion source with reduced analyte electrochemistry

    DOE Patents [OSTI]

    Kertesz, Vilmos [Knoxville, TN; Van Berkel, Gary [Clinton, TN

    2011-08-23

    An electrospray ion (ESI) source and method capable of ionizing an analyte molecule without oxidizing or reducing the analyte of interest. The ESI source can include an emitter having a liquid conduit, a working electrode having a liquid contacting surface, a spray tip, a secondary working electrode, and a charge storage coating covering partially or fully the liquid contacting surface of the working electrode. The liquid conduit, the working electrode and the secondary working electrode can be in liquid communication. The electrospray ion source can also include a counter electrode proximate to, but separated from, said spray tip. The electrospray ion source can also include a power system for applying a voltage difference between the working electrodes and a counter-electrode. The power system can deliver pulsed voltage changes to the working electrodes during operation of said electrospray ion source to minimize the surface potential of the charge storage coating.

  18. Ion source with external RF antenna

    DOE Patents [OSTI]

    Leung, Ka-Ngo; Ji, Qing; Wilde, Stephen

    2005-12-13

    A radio frequency (RF) driven plasma ion source has an external RF antenna, i.e. the RF antenna is positioned outside the plasma generating chamber rather than inside. The RF antenna is typically formed of a small diameter metal tube coated with an insulator. An external RF antenna assembly is used to mount the external RF antenna to the ion source. The RF antenna tubing is wound around the external RF antenna assembly to form a coil. The external RF antenna assembly is formed of a material, e.g. quartz, which is essentially transparent to the RF waves. The external RF antenna assembly is attached to and forms a part of the plasma source chamber so that the RF waves emitted by the RF antenna enter into the inside of the plasma chamber and ionize a gas contained therein. The plasma ion source is typically a multi-cusp ion source.

  19. Event reconstruction for line source releases

    SciTech Connect (OSTI)

    Zajic, Dragan; Brown, Michael J; Williams, Michael D

    2010-01-01

    The goal of source inversion, also called event reconstruction, is the calculation of source parameters from information obtained by network of concentration (or dosage) and meteorological sensors. Source parameters include source location and strength, but in certain cases there could be more than one source so the inversion procedure could deal with determination of number of sources, as well. In a case of limited time period pollutant emission events, as for example during accidents or intentional releases, it is of great use to estimate starting and ending times of the event. This kind of research is very useful for estimating the source parameters of industrial pollutants since it provides important information for regulation purposes. Also it provides information to fast responders in a case of accidental pollutant releases or for homeland security needs when chemical, biological or radiological agent is deliberately released. Development of faster and more accurate algorithms is very important since it could help reduce the populace's exposure to dangerous airborne contaminants, plan evacuation routes, and help assess the magnitude of clean up. During the last decade, the large number of research papers in area of source inversion was published where many different approaches were used. Most of the source inversion work publish to date apply to point source releases. The forward dispersion models used range from fast Gaussian plume and puff codes that enable almost instantaneous calculations of concentrations and dosages to Computational Fluid Dynamics (CFD) codes that provide more detailed and precise calculation but at the same time are expensive with respect to time and computer resources. The optimization methods were often used and examples are simulated annealing and genetic algorithms.

  20. Report of the Snowmass T4 working group on particle sources: Positron sources, anti-proton sources and secondary beams

    SciTech Connect (OSTI)

    N. Mokhov et al.

    2002-12-05

    This report documents the activities of the Snowmass 2001 T4 Particle Sources Working Group. T4 was charged with examining the most challenging aspects of positron sources for linear colliders and antiproton sources for proton-antiproton colliders, and the secondary beams of interest to the physics community that will be available from the next generation of high-energy particle accelerators. The leading issues, limiting technologies, and most important R and D efforts of positron production, antiproton production, and secondary beams are discussed in this paper. A listing of T4 Presentations is included.