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Sample records for agricultural byproducts ab

  1. 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.

  2. Agricultural

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

    Utility Resources News & Events Expand News & Events Skip navigation links Smart Grid Demand Response Agricultural Residential Demand Response Commercial & Industrial Demand...

  3. 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.

  4. 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.

  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. 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.

  7. 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.

  8. 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.

  9. 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

  10. Agriculture Sector

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

    Commercial Industrial Federal Agriculture SIS Variable Frequency Drives Irrigation Pump Testing Irrigation Hardware Upgrades LESA Agricultural Marketing Toolkit BPA's...

  11. 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...

  12. 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...

  13. 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...

  14. 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.

  15. 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.

  16. 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

  17. 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....

  18. 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...

  19. 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,...

  20. 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...

  1. agricultural pumping

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

    agricultural pumping - 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

  2. 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.

  3. 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...

  4. 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.

  5. 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...

  6. 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,...

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

    SciTech Connect (OSTI)

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

    1981-04-01

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

  8. Agricultural Outlook Forum

    Broader source: Energy.gov [DOE]

    Hosted by the U.S. Department of Agriculture on February 19–20 in Crystal City, Virginia, the theme of the 91st Annual Agricultural Outlook Forum will be centered on “Smart Agriculture in the 21st Century.”

  9. 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,...

  10. USDA Agricultural Conservation Easement Program

    Broader source: Energy.gov [DOE]

    The U.S. Department of Agriculture's (USDA's) Agricultural Conservation Easement Program (ACEP) provides financial and technical assistance to help conserve agricultural lands, wetlands, and their related benefits.

  11. Producing Beneficial Materials from Biomass and Biodiesel Byproducts -

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

    Energy Innovation Portal Biomass and Biofuels Biomass and Biofuels Find More Like This Return to Search Producing Beneficial Materials from Biomass and Biodiesel Byproducts Lawrence Berkeley National Laboratory Contact LBL About This Technology Technology Marketing SummaryResearchers at Berkeley Lab have created a process to produce olefins from polyols that may be biomass derived. The team is also the first to introduce a method of producing high purity allyl alcohol at a large scale by

  12. 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

  13. Agricultural Marketing Toolkit

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

    Agricultural-Marketing-Toolkit Sign In About | Careers | Contact | Investors | bpa.gov Search Policy & Reporting Expand Policy & Reporting EE Sectors Expand EE Sectors...

  14. Table 3.5 Selected Byproducts in Fuel Consumption, 2002

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

    5 Selected Byproducts in Fuel Consumption, 2002;" " Level: National Data and Regional Totals; " " Row: NAICS Codes; Column: Energy Sources;" " Unit: Trillion Btu." " "," "," "," "," "," "," "," ","Waste"," ",," " " "," "," ","Blast"," "," ","Pulping Liquor","

  15. Table 3.5 Selected Byproducts in Fuel Consumption, 2010;

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

    5 Selected Byproducts in Fuel Consumption, 2010; Level: National and Regional Data; Row: NAICS Codes; Column: Energy Sources; Unit: Trillion Btu. Blast Pulping Liquor NAICS Furnace/Coke Petroleum or Wood Chips, Code(a) Subsector and Industry Total Oven Gases Waste Gas Coke Black Liquor Bark Total United States 311 Food 11 0 7 0 0 1 3112 Grain and Oilseed Milling 5 0 2 0 0 * 311221 Wet Corn Milling * 0 * 0 0 0 31131 Sugar Manufacturing * 0 * 0 0 * 3114 Fruit and Vegetable Preserving and Specialty

  16. 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.

  17. Kentucky Department of Agriculture

    Broader source: Energy.gov [DOE]

    At the August 7, 2008 quarterly joint Web conference of DOE's Biomass and Clean Cities programs, Wilbur Frye (Office of Consumer & Environmental Protection, Kentucky Department of Agriculture) described Biofuel Quality Testing in Kentucky.

  18. 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...

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

    Office of Scientific and Technical Information (OSTI)

    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...

  20. 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...

  1. 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.

  2. 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.

  3. Agricultural Equipment Technology Conference

    Broader source: Energy.gov [DOE]

    The 20th Agricultural Equipment Technology Conference will be held Feb. 8–10, 2016, in Louisville, Kentucky. The conference will bring together professionals and experts in the agricultural and biological engineering fields. Bioenergy Technologies Office (BETO) Terrestrial Feedstocks Technology Manager Sam Tagore will be in attendance. Mr. Tagore will moderate a technical session titled “Ash Reduction Strategies for Improving Biomass Feedstock Quality.” The session will include presentations by researchers from Idaho National Laboratory and Oak Ridge National Laboratory supporting BETO, as well as from university and industry.

  4. Alcohol production from agricultural and forestry residues

    SciTech Connect (OSTI)

    Opilla, R.; Dale, L.; Surles, T.

    1980-05-01

    A variety of carbohydrate sources can be used as raw material for the production of ethanol. Section 1 is a review of technologies available for the production of ethanol from whole corn. Particular emphasis is placed on the environmental aspects of the process, including land utilization and possible air and water pollutants. Suggestions are made for technological changes intended to improve the economics of the process as well as to reduce some of the pollution from by-product disposal. Ethanol may be derived from renewable cellulosic substances by either enzymatic or acid hydrolysis of cellulose to sugar, followed by conventional fermentation and distillation. Section 2 is a review of the use of two agricultural residues - corn stover (field stalks remaining after harvest) and straw from wheat crops - as a cellulosic feedstock. Two processes have been evaluated with regard to environmental impact - a two-stage acid process developed by G.T. Tsao of Purdue University and an enzymatic process based on the laboratory findings of C.R. Wilke of the University of California, Berkeley. Section 3 deals with the environmental residuals expected from the manufacture of methyl and ethyl alcohols from woody biomass. The methanol is produced in a gasification process, whereas ethanol is produced by hydrolysis and fermentation processes similar to those used to derive ethanol from cellulosic materials.

  5. Alcohol production from agricultural and forestry residues

    SciTech Connect (OSTI)

    Dale, L; Opilla, R; Surles, T

    1980-09-01

    Technologies available for the production of ethanol from whole corn are reviewed. Particular emphasis is placed on the environmental aspects of the process, including land utilization and possible air and water pollutants. Suggestions are made for technological changes intended to improve the economics of the process as well as to reduce some of the pollution from by-product disposal. Ethanol may be derived from renewable cellulosic substances by either enzymatic or acid hydrolysis of cellulose to sugar, followed by conventional fermentation and distillation. The use of two agricultural residues - corn stover (field stalks remaining after harvest) and straw from wheat crops - is reviewed as a cellulosic feedstock. Two processes have been evaluated with regard to environmental impact - a two-stage acid process developed by G.T. Tsao of Purdue University and an enzymatic process based on the laboratory findings of C.R. Wilke of the University of California, Berkeley. The environmental residuals expected from the manufacture of methyl and ethyl alcohols from woody biomass are covered. The methanol is produced in a gasification process, whereas ethanol is produced by hydrolysis and fermentation processes similar to those used to derive ethanol from cellulosic materials.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. Sustainable Agriculture Network | Open Energy Information

    Open Energy Info (EERE)

    Agriculture Network Jump to: navigation, search Logo: Sustainable Agriculture Network Name: Sustainable Agriculture Network Website: clima.sanstandards.org References: Sustainable...

  12. 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.

  13. Rural Cooperative Geothermal Development Electric & Agriculture...

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

    Rural Cooperative Geothermal Development Electric & Agriculture Rural Cooperative Geothermal Development Electric & Agriculture DOE 2010 Geothermal Program Peer Review; Low ...

  14. 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.

  15. 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.

  16. 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.

  17. 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

  18. 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.

  19. 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...

  20. 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 ...

  1. Ab initio molecular orbital-configuration interaction based quantum master

    Office of Scientific and Technical Information (OSTI)

    equation (MOQME) approach to the dynamic first hyperpolarizabilities of asymmetric π-conjugated systems (Journal Article) | SciTech Connect Ab initio molecular orbital-configuration interaction based quantum master equation (MOQME) approach to the dynamic first hyperpolarizabilities of asymmetric π-conjugated systems Citation Details In-Document Search Title: Ab initio molecular orbital-configuration interaction based quantum master equation (MOQME) approach to the dynamic first

  2. Naturally occurring radionuclides in agricultural products: An overview

    SciTech Connect (OSTI)

    Hanlon, E.A.

    1994-07-01

    Low levels of naturally occurring radionuclides exist in phosphatic clays, a by-product of phosphatic mining and beneficiation processes. Concerns about these radionuclides entering the human food chain were an immediate research priority before the phosphate clays could be reclaimed for intensive agricultural purposes. Efforts included the assembly of a large body of data from both sons and plants, part of which were produced by the Polk County (Florida) Mined Lands Agricultural Research/Demonstration Project MLAR/DP. Additional detailed studies involving dairy and beef cattle (Bos taurus) were conducted by researchers working with the MLAR/DP. A national symposium was conducted in which data concerning the MLAR/DP work and other research projects also dealing with naturally occurring radionuclides in agriculture could be discussed. The symposium included invited review papers dealing with the identification of radionuclide geological origins, the geochemistry and movement of radionuclides within the environment, mechanisms of plant uptake, entry points into the food chain, and evaluation of dose and risk assessment to the consumer of low levels of radionuclides. The risk to human health of an individual obtaining 0.1 of his or her dietary intake from crops produced on phosphatic clays increased by 1 in 5 x 10{sup 6}/yr above a control individual consuming no food grown on phosphatic clays. Leaf tissues were found to be generally higher than fruit, grain, or root tissues. The natural range in radionuclide content among various food types was greater than the difference in radionuclides content between the same food produced on phosphatic clays vs. natural soils. 19 refs.

  3. Multiplex detection of agricultural pathogens

    DOE Patents [OSTI]

    Siezak, Thomas R.; Gardner, Shea; Torres, Clinton; Vitalis, Elizabeth; Lenhoff, Raymond J.

    2013-01-15

    Described are kits and methods useful for detection of agricultural pathogens in a sample. Genomic sequence information from agricultural pathogens was analyzed to identify signature sequences, e.g., polynucleotide sequences useful for confirming the presence or absence of a pathogen in a sample. Primer and probe sets were designed and optimized for use in a PCR based, multiplexed Luminex assay and/or an array assay to successfully identify the presence or absence of pathogens in a sample.

  4. Multiplex detection of agricultural pathogens

    DOE Patents [OSTI]

    McBride, Mary Teresa (Brentwood, CA); Slezak, Thomas Richard (Livermore, CA); Messenger, Sharon Lee (Kensington, CA)

    2010-09-14

    Described are kits and methods useful for detection of seven agricultural pathogens (BPSV; BHV; BVD; FMDV; BTV; SVD; and VESV) in a sample. Genomic sequence information from 7 agricultural pathogens was analyzed to identify signature sequences, e.g., polynucleotide sequences useful for confirming the presence or absence of a pathogen in a sample. Primer and probe sets were designed and optimized for use in a PCR based, multiplexed Luminex assay to successfully identify the presence or absence of pathogens in a sample.

  5. Energy Secretary Chu, Agriculture Secretary Vilsack Announce...

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

    Chu, Agriculture Secretary Vilsack Announce 6.3 million for Biofuels Research Energy Secretary Chu, Agriculture Secretary Vilsack Announce 6.3 million for Biofuels Research July ...

  6. LEDSGP/sector/Agriculture | Open Energy Information

    Open Energy Info (EERE)

    LEDSGPsectorAgriculture < LEDSGP(Redirected from Agriculture Work Space) Redirect page Jump to: navigation, search REDIRECT LEDSGPsectorAFOLU Retrieved from "http:...

  7. Oregon Department of Agriculture | Open Energy Information

    Open Energy Info (EERE)

    Agriculture Jump to: navigation, search Name: Oregon Department of Agriculture Address: 635 Capitol St NE Place: Salem, Oregon Zip: 97301 Phone Number: 503-986-4550 Website:...

  8. Wyoming Department of Agriculture | Open Energy Information

    Open Energy Info (EERE)

    Agriculture Jump to: navigation, search Name: Wyoming Department of Agriculture Address: 2219 Carey Avenue Place: Cheyenne, Wyoming Zip: 82002 Phone Number: 307-777-7321 Website:...

  9. 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.

  10. Agricultural

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

    Appendix E.) J. Jennings. ERC Environmental and Energy Services, Co. ERCEPO-49. (190) Empirical Impact Evaluation of the Energy Savings Resulting From BPA's Stage II Irrigation...

  11. 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 ...

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

    Office of Scientific and Technical Information (OSTI)

    Ab Initio NCSMRGM For Three-Body Cluster Systems And Application To 4He+n+n Citation Details In-Document Search Title: Ab Initio NCSMRGM For Three-Body Cluster Systems And...

  13. Ab Initio No-Core Shell Model Calculations for Light Nuclei ...

    Office of Scientific and Technical Information (OSTI)

    Ab Initio No-Core Shell Model Calculations for Light Nuclei Citation Details In-Document Search Title: Ab Initio No-Core Shell Model Calculations for Light Nuclei You are...

  14. 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.

  15. Mathias Agricultural Energy Efficiency Grant program

    Broader source: Energy.gov [DOE]

    Mathias Agriculture Energy Efficiency program offered by the Maryland Energy Administration (MEA) provides grants to farms and businesses in agricultural sector to offset 50% of the cost of energ...

  16. Randolph EMC- Agricultural Efficient Lighting Rebate Program

    Broader source: Energy.gov [DOE]

    Agricultural members of Randolph EMC (REMC) who upgrade to energy-efficientCFL bulbs in agricultural facilities are eligible for an incentive to help cover the initial cost of installation. The...

  17. 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.

  18. Table N5.1. Selected Byproducts in Fuel Consumption, 1998

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

    1. Selected Byproducts in Fuel Consumption, 1998;" " Level: National Data and Regional Totals; " " Row: NAICS Codes; Column: Energy Sources;" " Unit: Trillion Btu." " "," "," "," "," "," "," "," ","Waste"," ",," " " "," "," ","Blast"," "," ","Pulping Liquor","

  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. 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.

  1. Industrial and Agricultural Production Efficiency Program | Department...

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

    food processing, cold storage, agricultural, greenhouses, irrigation districts, and waterwastewater treatment. Standard prescriptive incentives include lighting, green motor...

  2. 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.

  3. 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

  4. 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

  5. GAUSSIAN 76: An ab initio Molecular Orbital Program

    DOE R&D Accomplishments [OSTI]

    Binkley, J. S.; Whiteside, R.; Hariharan, P. C.; Seeger, R.; Hehre, W. J.; Lathan, W. A.; Newton, M. D.; Ditchfield, R.; Pople, J. A.

    1978-01-01

    Gaussian 76 is a general-purpose computer program for ab initio Hartree-Fock molecular orbital calculations. It can handle basis sets involving s, p and d-type Gaussian functions. Certain standard sets (STO-3G, 4-31G, 6-31G*, etc.) are stored internally for easy use. Closed shell (RHF) or unrestricted open shell (UHF) wave functions can be obtained. Facilities are provided for geometry optimization to potential minima and for limited potential surface scans.

  6. 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).

  7. 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.

  8. California Department of Food and Agriculture | Open Energy Informatio...

    Open Energy Info (EERE)

    Agriculture Jump to: navigation, search Logo: California Department of Food and Agriculture Name: California Department of Food and Agriculture Abbreviation: CDFA Address: 1220 N...

  9. 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.

  10. Global Climate Change and Agriculture

    SciTech Connect (OSTI)

    Izaurralde, Roberto C.

    2009-01-01

    The Fourth Assessment Report of the Intergovernmental Panel on Climate Change released in 2007 significantly increased our confidence about the role that humans play in forcing climate change. There is now a high degree of confidence that the (a) current atmospheric concentrations of carbon dioxide (CO2), methane (CH4) and nitrous oxide (N2O) far exceed those of the pre-industrial era, (b) global increases in CO2 arise mainly from fossil fuel use and land use change while those of CH4 and N2O originate primarily from agricultural activities, and (c) the net effect of human activities since 1750 has led to a warming of the lower layers of the atmosphere, with an increased radiative forcing of 1.6 W m-2. Depending on the scenario of human population growth and global development, mean global temperatures could rise between 1.8 and 4.0 C by the end of the 21st century.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. ORISE: Multiple research appointments available through Agricultural

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

    Research Service Postdoctoral Research Program Multiple research appointments available through Agricultural Research Service Postdoctoral Research Program Selected candidates participate in USDA research for one to four years FOR IMMEDIATE RELEASE March 26, 2014 FY14-23 OAK RIDGE, Tenn.-ORAU and the U.S. Department of Agriculture are currently seeking recent doctoral degree recipients for various appointments in the Agricultural Research Service Postdoctoral Research Program. The ARS is the

  18. The Future of Biofuels an Agricultural Perspective

    Gasoline and Diesel Fuel Update (EIA)

    Biofuels An Agricultural Perspective Beth J. Calabotta Monsanto Company POPULATION GROWING AT 1.1% EACH YEAR Source: UN Population Division, Monsanto analysis INCOMES GROWING AT 3.5% PER YEAR... $5 BILLION PER DAY Source: IHS Global Insight, Agriculture Division, Monsanto analysis FOOD DEMAND GROWING AT ~1.75% EACH YEAR Source: IHS Global Insights, Agriculture Division, Monsanto analysis WATER DEMAND IS GROWING AT ~2% PER YEAR Source: McKinsey Resource Revolution 2011, Monsanto Analysis ENERGY

  19. ARM - Lesson Plans: Sea Water and Agriculture

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

    Sea Water and Agriculture 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 Lesson Plans: Sea Water and Agriculture Objective The objectives of this activity are to help students to understand that even a small rise in sea level can lead to salinization of valuable agricultural land and to

  20. Agricultural Lighting and Equipment Rebate Program

    Broader source: Energy.gov [DOE]

    In Vermont, agricultural operations are eligible for prescriptive and customized incentives for equipment proven to help make farms more efficient. Prescriptive rebates are available for lighting...

  1. OTEC- Agricultural Energy Efficiency Rebate Programs

    Broader source: Energy.gov [DOE]

    Oregon Trail Electric Consumers Cooperative (OTEC) offers programs to agricultural customers.  Interested customers should contact a local OTEC office.

  2. Consultative Group on International Agricultural Research (CGIAR...

    Open Energy Info (EERE)

    academia, and the private sector. The 15 Research Centers generate and disseminate knowledge, technologies, and policies for agricultural development through the CGIAR...

  3. Press Conference Call Tomorrow: Agriculture Secretary Vilsack...

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

    and Energy Secretary Steven Chu will host a media conference call to highlight Obama ... WHAT: Agriculture Secretary Vilsack and Energy Secretary Chu will host a media conference ...

  4. Agricultural Research Service (ARS) Research Participation Program...

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

    Home About USDA ARS About ORISE Current Research Opportunities Site Map Contact ORISE Facebook Twitter Applicants Welcome to the Agricultural Research Service (ARS) Research...

  5. Consultative Group on International Agricultural Research | Open...

    Open Energy Info (EERE)

    reduce poverty and hunger, improve human health and nutrition, and enhance ecosystem resilience through high-quality international agricultural research, partnershp and...

  6. Farmers Electric Cooperative - Residential/Agricultural Energy...

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

    Residential Agricultural Savings Category Solar Photovoltaics Wind (All) Geothermal Heat Pumps Water Heaters Lighting Heat Pumps CaulkingWeather-stripping Building Insulation...

  7. WINDExchange: Agricultural and Rural Resources and Tools

    Wind Powering America (EERE)

    Rural Communities Printable Version Bookmark and Share Wind for Homeowners, Farmers, & Businesses Resources & Tools Agricultural and Rural Resources and Tools This page lists...

  8. Ab Initio Thermodynamic Model for Magnesium Carbonates and Hydrates

    SciTech Connect (OSTI)

    Chaka, Anne M.; Felmy, Andrew R.

    2014-03-28

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

  9. 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.

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

    Office of Scientific and Technical Information (OSTI)

    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 ...

  11. 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

  12. 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

  13. 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

  14. Rural Cooperative Geothermal Development Electric & Agriculture |

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

    Department of Energy Rural Cooperative Geothermal Development Electric & Agriculture Rural Cooperative Geothermal Development Electric & Agriculture DOE 2010 Geothermal Program Peer Review; Low Temperature Demonstration Projects PDF icon low_silveria_rural_electric_coop.pdf More Documents & Publications Southwest Alaska Regional Geothermal Energy Project District Wide Geothermal Heating Conversion Blaine County School District Novel Energy Conversion Equipment for Low Temperature

  15. 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.

  16. 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.

  17. 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

  18. Non-stoichiometric AB5 alloys for metal hydride electrodes

    DOE Patents [OSTI]

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

    2001-01-01

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

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

    DOE Patents [OSTI]

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

    2001-01-01

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

  20. 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.

  1. 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.

  2. 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.

  3. Sustainable Energy Utility (SEU)- Agricultural Loan Program

    Broader source: Energy.gov [DOE]

    Delaware Sustainable Energy Utility (DESEU) offers customized loans for agricultural customer as a part of DESEU’s revolving loan program. Program applications are accepted on a rolling basis, and...

  4. Renewable Agricultural Energy | Open Energy Information

    Open Energy Info (EERE)

    Sector: Renewable Energy Product: Renewable Agricultural Energy plans to bring five ethanol plants on line by the end of 2009 with a combined annual capacity of at least 1.89bn...

  5. ORISE: Multiple research appointments available through Agricultural...

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

    RELEASE March 26, 2014 FY14-23 OAK RIDGE, Tenn.-ORAU and the U.S. Department of Agriculture are currently seeking recent doctoral degree recipients for various appointments in...

  6. Geothermal Food Processors Agricultural Drying Low Temperature...

    Open Energy Info (EERE)

    Processors is an Agricultural Drying low temperature direct use geothermal facility in Brady Hot Springs E of Fernley, Nevada. This article is a stub. You can help OpenEI by...

  7. 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.

  8. USDA Agricultural Conservation Easement Program Webinar for Tribes

    Broader source: Energy.gov [DOE]

    Hosted by the American Indian Higher Education Consortium, this webinar will cover details on the U.S. Department of Agriculture's (USDA's) new Agricultural Conservation Easement Program (ACEP)...

  9. Memorandum of Understanding Between the Department of Agriculture...

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

    Between the Department of Agriculture and the Department of Energy and the National ... Memorandum of Understanding Between the Department of Agriculture and the Department of ...

  10. Analysis of Impacts on Prime or Unique Agricultural Lands in...

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

    on Analysis of Impacts on Prime or Unique Agricultural Lands in Implementing the National Environmental Policy Act was developed in cooperation with the Department of Agriculture. ...

  11. Departments of the Navy, Energy and Agriculture Invest in Construction...

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

    and Agriculture Invest in Construction of Three Biorefineries to Produce Drop-In Biofuel for Military Departments of the Navy, Energy and Agriculture Invest in Construction of ...

  12. Energy Department Joins Agriculture and Navy in the Fight for...

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

    Joins Agriculture and Navy in the Fight for Clean Energy Transportation Energy Department Joins Agriculture and Navy in the Fight for Clean Energy Transportation October 2, 2014 - ...

  13. Before the Committee on Agriculture Subcommittee on General Farm...

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

    Agriculture Subcommittee on General Farm Commodities and Risk Management Before the Committee on Agriculture Subcommittee on General Farm Commodities and Risk Management Before the ...

  14. Agriculture and Energy Departments Announce New Investments to...

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

    Agriculture and Energy Departments Announce New Investments to Drive Innovations in Biofuels and Biobased Products Agriculture and Energy Departments Announce New Investments to ...

  15. Department of Agriculture and Energy Department Announce Up to...

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

    Department of Agriculture and Energy Department Announce Up to 8.7 Million through the Interagency Biomass Research and Development Initiative Department of Agriculture and Energy ...

  16. EERE Success Story-Departments of Energy, Navy, and Agriculture...

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

    Agriculture Invest 210 million in Three Commercial Biorefineries to Produce Drop-in Biofuel for the Military EERE Success Story-Departments of Energy, Navy, and Agriculture Invest ...

  17. Agriculture and Land Use National Greenhouse Gas Inventory Software...

    Open Energy Info (EERE)

    Agriculture and Land Use National Greenhouse Gas Inventory Software Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Agriculture and Land Use National Greenhouse Gas...

  18. National integrated mitigation planning in agriculture: A review...

    Open Energy Info (EERE)

    National integrated mitigation planning in agriculture: A review paper This review of national greenhouse gas (GHG) mitigation planning in the agriculture sector has two...

  19. Aq Dryers Agricultural Drying Low Temperature Geothermal Facility...

    Open Energy Info (EERE)

    Aq Dryers Agricultural Drying Low Temperature Geothermal Facility Jump to: navigation, search Name Aq Dryers Agricultural Drying Low Temperature Geothermal Facility Facility Aq...

  20. FAO Climate-Smart Agriculture | Open Energy Information

    Open Energy Info (EERE)

    Company Organization: Food and Agriculture Organization of the United Nations Sector: Land Focus Area: Agriculture Topics: Policiesdeployment programs Website: www.fao.org...

  1. Ohio Agricultural Research and Development Center | Open Energy...

    Open Energy Info (EERE)

    Agricultural Research and Development Center Jump to: navigation, search Name: Ohio Agricultural Research and Development Center Place: Wooster, Ohio Zip: OH 44691-4096 Product:...

  2. Applying Innovation System Concept in Agricultural Research for...

    Open Energy Info (EERE)

    in Agricultural Research for Development: A learning module AgencyCompany Organization: International Livestock Research Institute Sector: Land Focus Area: Agriculture Topics:...

  3. A Synthesis of Agricultural Policies in Bangladesh | Open Energy...

    Open Energy Info (EERE)

    of Agricultural Policies in Bangladesh1 Overview "There is a plethora of policy strategy documents relevant to broad agriculture and rural development in Bangladesh. These...

  4. Royal Agricultural and Horticultural Society of South Australia...

    Open Energy Info (EERE)

    Agricultural and Horticultural Society of South Australia Jump to: navigation, search Name: Royal Agricultural and Horticultural Society of South Australia Place: South Australia,...

  5. IISD Climate Change and Agriculture Research | Open Energy Information

    Open Energy Info (EERE)

    Climate Change and Agriculture Research Jump to: navigation, search Tool Summary Name: IISD Climate Change and Agriculture Research AgencyCompany Organization: International...

  6. Chile-Climate Change Mitigation and Agriculture in Latin America...

    Open Energy Info (EERE)

    Agriculture in Latin America and the Caribbean Jump to: navigation, search Logo: Chile-Climate Change Mitigation and Agriculture in Latin America and the Caribbean Name...

  7. Impacts of Climate Change on Agriculture and Adaptation in Vietnam...

    Open Energy Info (EERE)

    Climate Change on Agriculture and Adaptation in Vietnam Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Impacts of Climate Change on Agriculture and Adaptation in...

  8. FAO-Modelling System for Agricultural Impacts of Climate Change...

    Open Energy Info (EERE)

    Modelling System for Agricultural Impacts of Climate Change (MOSAICC) Jump to: navigation, search Tool Summary LAUNCH TOOL Name: FAO-Modelling System for Agricultural Impacts of...

  9. Creating an Evergreen Agriculture in Africa: for Food Security...

    Open Energy Info (EERE)

    Creating an Evergreen Agriculture in Africa: for Food Security and Environmental Resilience Jump to: navigation, search Name Creating an Evergreen Agriculture in Africa: for Food...

  10. Colombia-The Development of a Climate Compatible Agriculture...

    Open Energy Info (EERE)

    Colombia-The Development of a Climate Compatible Agriculture Plan Jump to: navigation, search Name Colombia-CDKN-The Development of a Climate Compatible Agriculture Plan Agency...

  11. Colombia-The Development of a Climate Compatible Agriculture...

    Open Energy Info (EERE)

    Colombia-The Development of a Climate Compatible Agriculture Plan (Redirected from CDKN-Colombia-The Development of a Climate Compatible Agriculture Plan) Jump to: navigation,...

  12. Farming First-Agriculture and the Green Economy | Open Energy...

    Open Energy Info (EERE)

    Farming First-Agriculture and the Green Economy Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Farming First-Agriculture and the Green Economy AgencyCompany...

  13. USDA Global Agricultural Information Network (GAIN) | Open Energy...

    Open Energy Info (EERE)

    Agriculture Information Network (GAIN) provides timely information on the agricultural economy, products and issues in foreign countries since 1995 that are likely to have an...

  14. Agricultural Waste Solutions Inc AWS | Open Energy Information

    Open Energy Info (EERE)

    Waste Solutions Inc AWS Jump to: navigation, search Name: Agricultural Waste Solutions Inc (AWS) Place: Westlake Village, California Zip: CA 91361 Product: Agricultural Waste...

  15. 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.

  16. Ab initio calculations in three-body cluster systems (Journal Article) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Ab initio calculations in three-body cluster systems Citation Details In-Document Search Title: Ab initio calculations in three-body cluster systems In this work we briefly outline the extension of the ab initio no-core shell model/Resonating group method (NCSM/RGM) to three-body cluster states. We present the results for {sup 6}He ground state within a {sup 4}He+n+n cluster basis under this approach. Authors: Romero-Redondo, C. [1] ; Navratil, P. [2] ; Quaglioni, S. [3] +

  17. 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.

  18. 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.

  19. Before the Committee on Agriculture Subcommittee on General Farm

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

    Commodities and Risk Management | Department of Energy Agriculture Subcommittee on General Farm Commodities and Risk Management Before the Committee on Agriculture Subcommittee on General Farm Commodities and Risk Management Before the Committee on Agriculture Subcommittee on General Farm Commodities and Risk Management By: Howard Gruenspecht, Acting Administrator, Energy Information Administration Subject: Energy Markets and their Implications on Agriculture PDF icon

  20. Hydrogen Funding and the AB 118 Investment Plan | Department of Energy

    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 renewable_hydrogen_workshop_nov16_ward.pdf More Documents & Publications Co-production of Hydrogen and Electricity (A Developer's Perspective) California Regulations on Renewble Hydrogen and Low Carbon Technologies IPHE Infrastructure Workshop - Workshop Proceedings, February 25-26, 2010 Sacramento, CA

  1. 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:

  2. 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

  3. 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:

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

    Office of Scientific and Technical Information (OSTI)

    capture technology (Journal Article) | SciTech Connect 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 pressure, the

  5. 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

  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. Before the Senate Agriculture, Nutrition, and Forestry | Department of

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

    Energy Agriculture, Nutrition, and Forestry Before the Senate Agriculture, Nutrition, and Forestry Before the Senate Agriculture, Nutrition, and Forestry By: Richard Newell, Administrator Energy Information Administration Subject: Development in Energy Markets and their possible implications on Agriculture PDF icon Final_Testimony(22).pdf More Documents & Publications Before the Committee on Agriculture Subcommittee on General Farm Commodities and Risk Management Before the House Natural

  8. U.S. Department of Agriculture | Department of Energy

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

    Agriculture U.S. Department of Agriculture U.S. Department of Agriculture The U.S. Department of Agriculture (USDA) works to support the American agricultural economy to strengthen rural communities; to protect and conserve our natural resources; and to provide a safe, sufficient, and nutritious food supply for the American people. The Department's wide range of programs and responsibilities touch the lives of every American every day. Solar resources are available from three offices within

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

    SciTech Connect (OSTI)

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

    1989-08-28

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

  10. Field demonstration of coal combustion by-products based road sub-base in Illinois

    SciTech Connect (OSTI)

    Chugh, Y.P.; Mohanty, S.; Bryant, M.

    2006-07-01

    Development and demonstration of large-volume beneficial use applications for ponded fly ash are considered very important as a cost reduction strategy for the generation industry and value enhancement for the coal mining industry. One such application described is the road sub-base fo the Industry Access Truck Route in Meredosia, Illinois, which used approximately 77,000 cubic yard of compacted high loss-on-ignition (LOI) Class-F ponded fly ash. The Truck Route is a 24-feet wide road built on a 0 to 7 feet thick compacted fly ash sub-base. Illinois Department of Transportation estimated that the use of fly ash in this project saved more than $100,000 to the State of Illinois. Furthermore, natural resources in the form of relatively fertile soil were preserved by substituting fly ash for the available borrow in the area; quality agricultural topsoil is limited in the area. The article gives details of the project and reports favourable results on monitoring ground water quality. 2 refs., 1 fig.

  11. Energy Department Joins Navy and Agriculture Departments to Invest...

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

    Joins Navy and Agriculture Departments to Invest in Drop-In Biofuel for Military Energy Department Joins Navy and Agriculture Departments to Invest in Drop-In Biofuel for Military ...

  12. United States Department of Agriculture | Open Energy Information

    Open Energy Info (EERE)

    1 Mission Statement 2 Vision 3 Strategic Plan Framework 4 Agencies 4.1 Agricultural Marketing Service (AMS) 4.2 Agricultural Research Service (ARS) 4.3 Animal and Plant Health...

  13. U.S. Department of Agriculture | Open Energy Information

    Open Energy Info (EERE)

    1 Mission Statement 2 Vision 3 Strategic Plan Framework 4 Agencies 4.1 Agricultural Marketing Service (AMS) 4.2 Agricultural Research Service (ARS) 4.3 Animal and Plant Health...

  14. Agricultural Monitoring and Evaluation Systems: What can we learn...

    Open Energy Info (EERE)

    Sector: Land, Climate Focus Area: Agriculture, Land Use Topics: Implementation, GHG inventory Resource Type: Publications, Lessons learnedbest practices, Case studies...

  15. Abstract: Design and Demonstration of an Advanced Agricultural...

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

    Project Director Principal Investigator: Fred Circle, President Project Title: Design and Demonstration of an Advanced Agricultural Feedstock Supply System for...

  16. 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.

  17. 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 × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is provided as a public service. Visit OSTI to utilize additional information resources in energy science and technology. A paper copy

  18. 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

  19. Ab Initio No-Core Shell Model Calculations for Light Nuclei (Conference) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Conference: Ab Initio No-Core Shell Model Calculations for Light Nuclei Citation Details In-Document Search Title: Ab Initio No-Core Shell Model Calculations for Light Nuclei No abstract prepared. Authors: Navratil, P Publication Date: 2007-06-23 OSTI Identifier: 920850 Report Number(s): UCRL-PROC-232457 TRN: US0802034 DOE Contract Number: W-7405-ENG-48 Resource Type: Conference Resource Relation: Conference: Presented at: International School of Physics "Enrico

  20. 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

  1. 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

  2. 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

  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. 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.

  5. 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.

  6. 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.

  7. Climate policy implications for agricultural water demand

    SciTech Connect (OSTI)

    Chaturvedi, Vaibhav; Hejazi, Mohamad I.; Edmonds, James A.; Clarke, Leon E.; Kyle, G. Page; Davies, Evan; Wise, Marshall A.; Calvin, Katherine V.

    2013-03-28

    Energy, water and land are scarce resources, critical to humans. Developments in each affect the availability and cost of the others, and consequently human prosperity. Measures to limit greenhouse gas concentrations will inevitably exact dramatic changes on energy and land systems and in turn alter the character, magnitude and geographic distribution of human claims on water resources. We employ the Global Change Assessment Model (GCAM), an integrated assessment model to explore the interactions of energy, land and water systems in the context of alternative policies to limit climate change to three alternative levels: 2.5 Wm-2 (445 ppm CO2-e), 3.5 Wm-2 (535 ppm CO2-e) and 4.5 Wm-2 (645 ppm CO2-e). We explore the effects of two alternative land-use emissions mitigation policy options—one which taxes terrestrial carbon emissions equally with fossil fuel and industrial emissions, and an alternative which only taxes fossil fuel and industrial emissions but places no penalty on land-use change emissions. We find that increasing populations and economic growth could be anticipated to almost triple demand for water for agricultural systems across the century even in the absence of climate policy. In general policies to mitigate climate change increase agricultural demands for water still further, though the largest changes occur in the second half of the century, under both policy regimes. The two policies examined profoundly affected both the sources and magnitudes of the increase in irrigation water demands. The largest increases in agricultural irrigation water demand occurred in scenarios where only fossil fuel emissions were priced (but not land-use change emission) and were primarily driven by rapid expansion in bioenergy production. In these scenarios water demands were large relative to present-day total available water, calling into question whether it would be physically possible to produce the associated biomass energy. We explored the potential of improved water delivery and irrigation system efficiencies. These could potentially reduce demands substantially. However, overall demands remained high under our fossil-fuel-only tax policy. In contrast, when all carbon was priced, increases in agricultural water demands were smaller than under the fossil-fuel-only policy and were driven primarily by increased demands for water by non-biomass crops such as rice. Finally we estimate the geospatial pattern of water demands and find that regions such as China, India and other countries in south and east Asia might be expected to experience greatest increases in water demands. 

  8. 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.

  9. Agricultural, industrial and municipal waste management

    SciTech Connect (OSTI)

    Not Available

    1985-01-01

    It is right that consideration of the environment is of prime importance when agricultural and industrial processes are being developed. This book compiles the papers presented at the Institution of Mechanical Engineers conference. The contents include: The use of wastes for land reclamation and restoration; landfill, an environmentally acceptable method of waste disposal and an economic source of energy; control of leachate from waste disposal landfill sites using bentonite; landfill gas migration from operational landfill sites, monitoring and prevention; monitoring of emissions from hazardous waste incineration; hazardous wastes management in Hong Kong, a summary of a report and recommendations; the techniques and problems of chemical analysis of waste waters and leachate from waste tips; a small scale waste burning combustor; energy recovery from municipal waste by incineration; anaerobic treatment of industrial waste; a review of developments in the acid hydrolysis of cellulosic wastes; reduction of slag deposits by magnesium hydroxide injection; integrated rural energy centres (for agriculture-based economies); resource recovery; straw as a fuel in the UK; the computer as a tool for predicting the financial implications of future municipal waste disposal and recycling projects; solid wastes as a cement kiln fuel; monitoring and control of landfill gas; the utilization of waste derived fuels; the economics of energy recovery from municipal and industrial wastes; the development and construction of a municipal waste reclamation plant by a local authority.

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

    DOE Patents [OSTI]

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

    1997-01-01

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

  11. 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

  12. Emissions Of Greenhouse Gases From Rice Agriculture

    SciTech Connect (OSTI)

    M. Aslam K. Khalil

    2009-07-16

    This project produced detailed data on the processes that affect methane and nitrous oxide emissions from rice agriculture and their inter-relationships. It defines the shifting roles and potential future of these gases in causing global warming and the benefits and tradeoffs of reducing emissions. The major results include: 1). Mechanisms and Processes Leading to Methane Emissions are Delineated. Our experiments have tested the standard model of methane emissions from rice fields and found new results on the processes that control the flux. A mathematical mass balance model was used to unravel the production, oxidation and transport of methane from rice. The results suggested that when large amounts of organic matter are applied, the additional flux that is observed is due to both greater production and reduced oxidation of methane. 2). Methane Emissions From China Have Been Decreasing Over the Last Two Decades. We have calculated that methane emissions from rice fields have been falling in recent decades. This decrease is particularly large in China. While some of this is due to reduced area of rice agriculture, the bigger effect is from the reduction in the emission factor which is the annual amount of methane emitted per hectare of rice. The two most important changes that cause this decreasing emission from China are the reduced use of organic amendments which have been replaced by commercial nitrogen fertilizers, and the increased practice of intermittent flooding as greater demands are placed on water resources. 3). Global Methane Emissions Have Been Constant For More Than 20 Years. While the concentrations of methane in the atmosphere have been leveling off in recent years, our studies show that this is caused by a near constant total global source of methane for the last 20 years or more. This is probably because as some anthropogenic sources have increased, others, such as the rice agriculture source, have fallen. Changes in natural emissions appear small. 4). Nitrous Oxide Emissions From Rice Fields Increase as Methane Emissions Drop. Inundated conditions favor anaerobic methane production with high emission rates and de-nitrification resulting in modest nitrous oxide emissions. Under drier conditions such as intermittent flooding, methane emissions fall and nitrous oxide emissions increase. Increased nitrogen fertilizer use increases nitrous oxide emissions and is usually accompanied by reduced organic matter applications which decreases methane emissions. These mechanisms cause a generally inverse relationship between methane and nitrous oxide emissions. Reduction of methane from rice agriculture to control global warming comes with tradeoffs with increased nitrous oxide emissions. 5). High Spatial Resolution Maps of Emissions Produced. Maps of methane and nitrous oxide emissions at a resolution of 5 min 5 min have been produced based on the composite results of this research. These maps are necessary for both scientific and policy uses.

  13. 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.

  14. 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.

  15. U.S. Department of Agriculture | Department of Energy

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

    Agriculture The U.S. Department of Agriculture (USDA) works to support the American agricultural economy to strengthen rural communities; to protect and conserve our natural resources; and to provide a safe, sufficient, and nutritious food supply for the American people. The Department's wide range of programs and responsibilities touch the lives of every American every day. Solar resources are available from three offices within USDA: Rural Utilities Service programs finance the basic

  16. Press Conference Call Tomorrow: Agriculture Secretary Vilsack and Energy

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

    Secretary Chu to Discuss Efforts to Reduce U.S. Oil Dependence | Department of Energy Conference Call Tomorrow: Agriculture Secretary Vilsack and Energy Secretary Chu to Discuss Efforts to Reduce U.S. Oil Dependence Press Conference Call Tomorrow: Agriculture Secretary Vilsack and Energy Secretary Chu to Discuss Efforts to Reduce U.S. Oil Dependence May 4, 2011 - 12:00am Addthis WASHINGTON - TOMORROW, May 5, 2011, Agriculture Secretary Tom Vilsack and Energy Secretary Steven Chu will host a

  17. Klamath and Lake Counties Agricultural Industrial Park | Department of

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

    Energy Klamath and Lake Counties Agricultural Industrial Park Klamath and Lake Counties Agricultural Industrial Park Engineered Geothermal Systems, Low Temp, Exploration Demonstration Projects. Project goal: to attract new businesses to Klamath and Lake counties for the purpose of capitalizing on our abundant geothermal resources. PDF icon egs_riley_klamath_lake.pdf More Documents & Publications Klamath and Lake Counties Agricultural Industrial Park; 2010 Geothermal Technology Program

  18. California: Agricultural Residues Produce Renewable Fuel | Department of

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

    Energy Agricultural Residues Produce Renewable Fuel California: Agricultural Residues Produce Renewable Fuel April 18, 2013 - 12:00am Addthis Logos Technologies and EERE partnered with EdeniQ of Visalia, California, to construct a pilot plant that processes 1.2 tons per day of agricultural residues, such as corn stover (leaves and stalks), as well as other California-sourced indigenous, nonfood feedstock sources (wood chips and switchgrass). The project has completed 1,500 hours of

  19. Departments of Energy and Agriculture Announce Bioenergy Projects in 10

    Office of Environmental Management (EM)

    States | Department of Energy Departments of Energy and Agriculture Announce Bioenergy Projects in 10 States Departments of Energy and Agriculture Announce Bioenergy Projects in 10 States July 17, 2014 - 12:21pm Addthis News Media Contact (202)586-4940 WASHINGTON - The U.S. Department of Energy (DOE) and the U.S. Department of Agriculture (USDA) today announced the selection of 10 projects that will receive funding aimed at accelerating genetic breeding programs to improve plant feedstocks

  20. EERE Success Story-California: Agricultural Residues Produce Renewable

    Office of Environmental Management (EM)

    Fuel | Department of Energy Agricultural Residues Produce Renewable Fuel EERE Success Story-California: Agricultural Residues Produce Renewable Fuel April 18, 2013 - 12:00am Addthis Logos Technologies and EERE partnered with EdeniQ of Visalia, California, to construct a pilot plant that processes 1.2 tons per day of agricultural residues, such as corn stover (leaves and stalks), as well as other California-sourced indigenous, nonfood feedstock sources (wood chips and switchgrass). The

  1. Agricultural Progress in Cameroon, Mali and Ghana: Why it Happened...

    Open Energy Info (EERE)

    Development (IFAD). The purpose was to identify constraints to agricultural growth and poverty reduction that might be eased through better policy, both domestically and...

  2. Farmers Electric Cooperative- Residential/Agricultural Energy Efficiency Rebate Program

    Broader source: Energy.gov [DOE]

    Farmers Electric Cooperative offers incentives for its residential and agricultural members to increase the energy efficiency of eligible homes and facilities. In order to receive rebates,...

  3. Food and Agriculture Organization of the United Nations | Open...

    Open Energy Info (EERE)

    and Health Atlas (GLiPHA) Impact of the Global Forest Industry on Atmospheric Greenhouse Gas National Mitigation Planning in Agriculture: Review and Guidelines National Planning...

  4. Climate-Smart Agriculture Country Profiles | Open Energy Information

    Open Energy Info (EERE)

    featuredproductscsa-country-profiles Country: Argentina, Colombia, Costa Rica, El Salvador, Grenada, Mexico, Peru Cost: Free OpenEI Keyword(s): Agriculture, country profiles,...

  5. LEDSGP/Agriculture Work Space/Tools | Open Energy Information

    Open Energy Info (EERE)

    LEDSGPAgriculture Work SpaceTools < LEDSGP(Redirected from Agriculture Work SpaceTools) Jump to: navigation, search Low Emission Development Strategies Global Partnership...

  6. Abstract: Design and Demonstration of an Advanced Agricultural...

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

    Abstract: Design and Demonstration of an Advanced Agricultural Feedstock Supply System for Lignocellulosic Bioenergy Production Abstract: Design and Demonstration of an Advanced ...

  7. Low Temperature Direct Use Agricultural Drying Geothermal Facilities...

    Open Energy Info (EERE)

    ,"group":"","inlineLabel":"","visitedicon":"","text":"AgriculturalDryingLowTemperatureGeothermalFacility" title"Geothermal...

  8. Identification of Low Emissions Agricultural Pathways and Priorities...

    Open Energy Info (EERE)

    Pathways and Priorities for Mitigation in Agricultural Landscapes using Integrated Assessment Modeling and Scenarios Jump to: navigation, search Name Identification of Low...

  9. Climate Change and China's Agricultural Sector: An Overview of...

    Open Energy Info (EERE)

    An Overview of Impacts, Adaptation and Mitigation Jump to: navigation, search Name Climate Change and China's Agricultural Sector: An Overview of Impacts, Adaptation and...

  10. Climate, Agriculture and Food Scarcity: A Strategy for Change...

    Open Energy Info (EERE)

    A Strategy for Change Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Climate, Agriculture and Food Scarcity: A Strategy for Change AgencyCompany...

  11. Climate-Smart Agriculture: Policies, Practices and Financing...

    Open Energy Info (EERE)

    paper outlines a range of practices, approaches and tools aimed at increasing the resilience and productivity of agricultural production systems, while also reducing and...

  12. NREL and Colombian Oil Firm Unlocking Agricultural Waste Feedstocks...

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

    NREL and Colombian Oil Firm Unlocking Agricultural Waste Feedstocks for Biofuel Collaboration with Ecopetrol examines converting sugar cane bagasse to biofuel August 7, 2013 The ...

  13. Analysis of Impacts on Prime or Unique Agricultural Lands in...

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

    previous memorandum on this subject of August 1976. PDF icon AnalysisAgriculturalLands.pdf More Documents & Publications Mini-Guidance Articles from Lessons Learned Quarterly...

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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

  19. 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

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

    SciTech Connect (OSTI)

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

    2011-05-05

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

  1. 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 modelthe 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.

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

    SciTech Connect (OSTI)

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

    2006-01-01

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

  3. Agriculture-related radiation dose calculations

    SciTech Connect (OSTI)

    Furr, J.M.; Mayberry, J.J.; Waite, D.A.

    1987-10-01

    Estimates of radiation dose to the public must be made at each stage in the identification and qualification process leading to siting a high-level nuclear waste repository. Specifically considering the ingestion pathway, this paper examines questions of reliability and adequacy of dose calculations in relation to five stages of data availability (geologic province, region, area, location, and mass balance) and three methods of calculation (population, population/food production, and food production driven). Calculations were done using the model PABLM with data for the Permian and Palo Duro Basins and the Deaf Smith County area. Extra effort expended in gathering agricultural data at succeeding environmental characterization levels does not appear justified, since dose estimates do not differ greatly; that effort would be better spent determining usage of food types that contribute most to the total dose; and that consumption rate and the air dispersion factor are critical to assessment of radiation dose via the ingestion pathway. 17 refs., 9 figs., 32 tabs.

  4. Fuel alcohol production from agricultural lignocellulosic feedstocks

    SciTech Connect (OSTI)

    Farina, G.E.; Barrier, J.W.; Forsythe, M.L. )

    1988-01-01

    A two-stage, low-temperature, ambient pressure, acid hydrolysis process that utilizes separate unit operations to convert hemicellulose and cellulose in agricultural residues and crops to fermentable sugars is being developed and tested. Based on the results of the bench-scale tests, an acid hydrolysis experimental plant to demonstrate the concepts of low-temperature acid hydrolysis on a much larger scale was built. Plant tests using corn stover have been conducted for more that a year and conversion efficiences have equaled those achieved in the laboratory. Laboratory tests to determine the potential for low-temperature acid hydrolysis of other feedstocks - including red clover, alfalfa, kobe lespedeza, winter rape, and rye grass - are being conducted. Where applicable, process modifications to include extraction before or after hydrolysis also are being studied. This paper describes the experimental plant and process, results obtained in the plant, results of alternative feedstocks testing in the laboratory, and a plan for an integrated system that will produce other fuels, feed, and food from crops grown on marginal land.

  5. 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

  6. 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.

  7. USDA Agricultural Conservation Easement Program Webinar for Tribes

    Broader source: Energy.gov [DOE]

    Hosted by the American Indian Higher Education Consortium, this webinar will cover details on the U.S. Department of Agriculture's (USDA's) new Agricultural Conservation Easement Program (ACEP) established in the 2014 Farm Bill. It will specifically discuss the implications of ACEP for Tribes and tribal owners.

  8. Abstract: Design and Demonstration of an Advanced Agricultural Feedstock

    Office of Environmental Management (EM)

    Supply System for Lignocellulosic Bioenergy Production | Department of Energy Abstract: Design and Demonstration of an Advanced Agricultural Feedstock Supply System for Lignocellulosic Bioenergy Production Abstract: Design and Demonstration of an Advanced Agricultural Feedstock Supply System for Lignocellulosic Bioenergy Production This abstract from FDC Enterprises discusses the impact and objectives for project that designs equipment improvements to streamline the harvest, staging, and

  9. Groundwater and Wastewater Remediation Using Agricultural Oils - Energy

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

    Innovation Portal Groundwater and Wastewater Remediation Using Agricultural Oils Savannah River National Laboratory Contact SRNL About This Technology Soybean oil used for groundwater and wastewater remediation Soybean oil used for groundwater and wastewater remediation Technology Marketing Summary Scientists have developed a groundwater treatment technique that employs agricultural oils to stimulate endogenous microbes which accelerates the cleanup. The oils tested include canola oil,

  10. A Landscape Perspective on Sustainability of Agricultural Systems

    SciTech Connect (OSTI)

    Dale, Virginia H; Kline, Keith L; Kaffka, Stephen R; Langeveld, J.W.A.

    2013-01-01

    Landscape sustainability of agricultural systems considers effects of farm activities on social, economic, and ecosystem services at local and regional scales. Sustainable agriculture entails: defining sustainability, developing easily measured indicators of sustainability, moving toward integrated agricultural systems, and offering incentives or imposing regulations to affect farmer behavior. A landscape perspective is useful because landscape ecology provides theory and methods for dealing with spatial heterogeneity, scaling, integration, and complexity. To implement agricultural sustainability, we propose adopting a systems perspective, recognizing spatial heterogeneity, addressing the influences of context, and integrating landscape-design principles. Topics that need further attention at local and regional scales include (1) protocols for quantifying material and energy flows; (2) effects of management practices; (3) incentives for enhancing social, economic, and ecosystem services; (4) integrated landscape planning and management; (5) monitoring and assessment; (6) effects of societal demand; and (7) consistent and holistic policies for promoting agricultural sustainability.

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

    Office of Scientific and Technical Information (OSTI)

    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 You are accessing...

  12. 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.

  13. Energy Department Joins Navy and Agriculture Departments to Invest in

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

    Drop-In Biofuel for Military | Department of Energy Energy Department Joins Navy and Agriculture Departments to Invest in Drop-In Biofuel for Military Energy Department Joins Navy and Agriculture Departments to Invest in Drop-In Biofuel for Military September 25, 2014 - 12:35pm Addthis Photo courtesy of U.S. Navy Photo courtesy of U.S. Navy Deputy Secretary Daniel Poneman joined Tom Vilsack, Secretary of the U.S. Department of Agriculture, and Secretary Ray Mabus of the U.S. Department of

  14. Industrial and agricultural process heat information user study

    SciTech Connect (OSTI)

    Belew, W.W.; Wood, B.L.; Marle, T.L.; Reinhardt, C.L.

    1981-03-01

    The results of a series of telephone interviews with groups of users of information on solar industrial and agricultural process heat (IAPH) are described. These results, part of a larger study on many different solar technologies, identify types of information each group needed and the best ways to get information to each group. In the current study only high-priority groups were examined. Results from 10 IAPH groups of respondents are analyzed in this report: IPH Researchers; APH Researchers; Representatives of Manufacturers of Concentrating and Nonconcentrating Collectors; Plant, Industrial, and Agricultural Engineers; Educators; Representatives of State Agricultural Offices; and County Extension Agents.

  15. 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.

  16. 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*.

  17. 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.

  18. 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.

  19. 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.

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

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect 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, April 14, 2011, pp. 04460

  1. Ab-initio study of high temperature lattice dynamics of BCC zirconium (?-Zr) and uranium (?-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 ?-Zr match excellently with experimental PDC. But the calculated PDC for ?-U shows negative phonon frequencies even at solid to liquid transition temperature. We show that this discrepancy is due to an overestimation of instability depth of bcc U phase which is removed by incorporation of spin-orbit coupling in the electronic structure calculations.

  2. 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 Previous Next List A. Dzubak, L.-C. Lin, J. Kim, J. A. Swisher, R. Poloni, S. N. Maximoff, B. Smit, and L. Gagliardi, Nat Chem 4, 810-816 (2012) DOI: 10.1038/NCHEM.1432 no alt info Abstract During the formation of metal-organic frameworks (MOFs), metal centres can coordinate with the intended organic linkers, but also with solvent molecules. In this case,

  3. National Mitigation Planning in Agriculture: Review and Guidelines...

    Open Energy Info (EERE)

    Simple Website: www.fao.orgdocrep017i3237ei3237e.pdf Language: English This review of national greenhouse gas (GHG) mitigation planning in the agriculture sector provides...

  4. Missouri Agricultural and Energy Saving Team- A Revolutionary Opportunity (MAESTRO)

    Broader source: Energy.gov [DOE]

    Note: Rates listed below are for farmers who signed up for the program by January 1, 2011; however, the Missouri Agricultural and Small Business Development Authority still has some funding...

  5. Departments of Energy, Navy, and Agriculture Invest $210 million...

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

    Departments to Invest in Drop-In Biofuel for Military Departments of the Navy, Energy and Agriculture Invest in Construction of Three Biorefineries to Produce Drop-In Biofuel for ...

  6. Evaluation of the Potential for Agricultural Development at the Hanford

    Office of Scientific and Technical Information (OSTI)

    Site (Technical Report) | SciTech Connect Technical Report: Evaluation of the Potential for Agricultural Development at the Hanford Site Citation Details In-Document Search Title: Evaluation of the Potential for Agricultural Development at the Hanford Site By 2050, when cleanup of the Hanford Site is expected to be completed, large worldwide demands to increase the global production of animal and fish protein, food, and fiber are anticipated, despite advancements in crop breeding, genetic

  7. ARM - Possible Benefits of Global Warming on Agriculture

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

    ListPossible Benefits of Global Warming on Agriculture 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 Possible Benefits of Global Warming on Agriculture Pros and Cons Given the need for caution, it may still be possible to make a few general comments. With more carbon dioxide in the

  8. Agriculture and Energy Departments Announce New Investments to Drive

    Energy Savers [EERE]

    Innovations in Biofuels and Biobased Products | Department of Energy Agriculture and Energy Departments Announce New Investments to Drive Innovations in Biofuels and Biobased Products Agriculture and Energy Departments Announce New Investments to Drive Innovations in Biofuels and Biobased Products July 25, 2012 - 1:37pm Addthis News Media Contact (202) 586-4940 WASHINGTON - As part of the Obama Administration's all-of-the-above strategy to enhance U.S. energy security, reduce America's

  9. Memorandum of Understanding Between the Department of Agriculture and the

    Office of Environmental Management (EM)

    Department of Energy and the National Development and Reform Commission of the People's Republic of China on Cooperation in the Development of Biofuels | Department of Energy Between the Department of Agriculture and the Department of Energy and the National Development and Reform Commission of the People's Republic of China on Cooperation in the Development of Biofuels Memorandum of Understanding Between the Department of Agriculture and the Department of Energy and the National Development

  10. Mexico-EC-LEDS in the Agriculture Sector | Open Energy Information

    Open Energy Info (EERE)

    EC-LEDS in the Agriculture Sector Jump to: navigation, search Name Mexico-EC-LEDS in the Agriculture Sector AgencyCompany Organization United States Department of Agriculture,...

  11. 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.

  12. 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.

  13. 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.

  14. Determination of Sugars, Byproducts, and Degradation Products in Liquid Fraction Process Samples: Laboratory Analytical Procedure (LAP); Issue Date: 12/08/2006

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

    Sugars, Byproducts, and Degradation Products in Liquid Fraction Process Samples Laboratory Analytical Procedure (LAP) Issue Date: 12/08/2006 A. Sluiter, B. Hames, R. Ruiz, C. Scarlata, J. Sluiter, and D. Templeton Technical Report NREL/TP-510-42623 January 2008 NREL is operated by Midwest Research Institute ● Battelle Contract No. DE-AC36-99-GO10337 National Renewable Energy Laboratory 1617 Cole Boulevard, Golden, Colorado 80401-3393 303-275-3000 * www.nrel.gov Operated for the U.S. Department

  15. 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).

  16. U.S. Departments of Agriculture and Energy Announce Funding for...

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

    Agriculture and Energy Announce Funding for Biomass Research and Development Initiative U.S. Departments of Agriculture and Energy Announce Funding for Biomass Research and ...

  17. 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)

  18. 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.

  19. 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.

  20. GPFA-AB_Phase1GeologicReservoirsContentModel10_26_2015.xls

    SciTech Connect (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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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

  6. 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.

  7. 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.

  8. 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.

  9. Cost Methodology for Biomass Feedstocks: Herbaceous Crops and Agricultural Residues

    SciTech Connect (OSTI)

    Turhollow Jr, Anthony F; Webb, Erin; Sokhansanj, Shahabaddine

    2009-12-01

    This report describes a set of procedures and assumptions used to estimate production and logistics costs of bioenergy feedstocks from herbaceous crops and agricultural residues. The engineering-economic analysis discussed here is based on methodologies developed by the American Society of Agricultural and Biological Engineers (ASABE) and the American Agricultural Economics Association (AAEA). An engineering-economic analysis approach was chosen due to lack of historical cost data for bioenergy feedstocks. Instead, costs are calculated using assumptions for equipment performance, input prices, and yield data derived from equipment manufacturers, research literature, and/or standards. Cost estimates account for fixed and variable costs. Several examples of this costing methodology used to estimate feedstock logistics costs are included at the end of this report.

  10. 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.

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

    SciTech Connect (OSTI)

    Stevenson, Clare E. M.; Kock, Holger; Mootien, Saraspadee; Davies, 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.

  12. Agriculture intensifies soil moisture decline in Northern China

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

    Liu, Yaling; Pan, Zhihua; Zhuang, Qianlai; Miralles, Diego; Teuling, Adriann; Zhang, Tonglin; An, Pingli; Dong, Zhiqiang; Zhang, Jingting; He, Di; et al

    2015-07-09

    Northern China is one of the most densely populated regions in the world. Agricultural activities have intensified since the 1980s to provide food security to the country. However, this intensification has likely contributed to an increasing scarcity in water resources, which may in turn be endangering food security. Based on in-situ measurements of soil moisture collected in agricultural plots during 1983–2012, we find that topsoil (0–50 cm) volumetric water content during the growing season has declined significantly (p<0.01), with a trend of -0.011 to -0.015 m3 m-3 per decade. Observed discharge declines for the three large river basins are consistentmore » with the effects of agricultural intensification, although other factors (e.g. dam constructions) likely have contributed to these trends. Practices like fertilizer application have favoured biomass growth and increased transpiration rates, thus reducing available soil water. In addition, the rapid proliferation of water-expensive crops (e.g., maize) and the expansion of the area dedicated to food production have also contributed to soil drying. Adoption of alternative agricultural practices that can meet the immediate food demand without compromising future water resources seem critical for the sustainability of the food production system.« less

  13. Agriculture intensifies soil moisture decline in Northern China

    SciTech Connect (OSTI)

    Liu, Yaling; Pan, Zhihua; Zhuang, Qianlai; Miralles, Diego; Teuling, Adriann; Zhang, Tonglin; An, Pingli; Dong, Zhiqiang; Zhang, Jingting; He, Di; Wang, Liwei; Pan, Xuebiao; Bai, Wei; Niyogi, Dev

    2015-07-09

    Northern China is one of the most densely populated regions in the world. Agricultural activities have intensified since the 1980s to provide food security to the country. However, this intensification has likely contributed to an increasing scarcity in water resources, which may in turn be endangering food security. Based on in-situ measurements of soil moisture collected in agricultural plots during 1983–2012, we find that topsoil (0–50 cm) volumetric water content during the growing season has declined significantly (p<0.01), with a trend of -0.011 to -0.015 m3 m-3 per decade. Observed discharge declines for the three large river basins are consistent with the effects of agricultural intensification, although other factors (e.g. dam constructions) likely have contributed to these trends. Practices like fertilizer application have favoured biomass growth and increased transpiration rates, thus reducing available soil water. In addition, the rapid proliferation of water-expensive crops (e.g., maize) and the expansion of the area dedicated to food production have also contributed to soil drying. Adoption of alternative agricultural practices that can meet the immediate food demand without compromising future water resources seem critical for the sustainability of the food production system.

  14. Biogas from agricultural and other wastes: a subject bibliography

    SciTech Connect (OSTI)

    Shadduck, G.

    1981-01-01

    This bibliography covers the following areas: application of anaerobic digestion to agricultural wastes, biochemistry and microbiology, factors in digester design and performance, digester design and types, digestion of individual materials, biogas use, use of digester effluent, integrated recycling systems, and economics and policy. (MHR)

  15. 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.

  16. 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).

  17. 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.

  18. Barriers to the increased utilization of coal combustion/desulfurization by-products by government and commercial sectors - Update 1998

    SciTech Connect (OSTI)

    Pflughoeft-Hassett, D.F.; Sondreal, E.A.; Steadman, E.N.; Eylands, K.E.; Dockter, B.A.

    1999-07-01

    The following conclusions are drawn from the information presented in this report: (1) Joint efforts by industry and government focused on meeting RTC recommendations for reduction/removal of barriers have met with some success. The most notable of these are the changes in regulations related to CCB utilization by individual states. Regionally or nationally consistent state regulation of CCB utilization would further reduce regulatory barriers. (2) Technology changes will continue to be driven by the CAAA, and emission control technologies are expected to continue to impact the type and properties of CCBs generated. As a result, continued RD and D will be needed to learn how to utilize new and changing CCBs in environmentally safe, technically sound, and economically advantageous ways. Clean coal technology CCBs offer a new challenge because of the high volumes expected to be generated and the different characteristics of these CCBs compared to those of conventional CCBs. (3) Industry and government have developed the RD and D infrastructure to address the technical aspects of developing and testing new CCB utilization applications, but this work as well as constant quality control/quality assurance testing needs to be continued to address both industry wide issues and issues related to specific materials, regions, or users. (4) Concerns raised by environmental groups and the public will continue to provide environmental and technical challenges to the CCB industry. It is anticipated that the use of CCBs in mining applications, agriculture, structural fills, and other land applications will continue to be controversial and will require case-by-case technical and environmental information to be developed. The best use of this information will be in the development of generic regulations specifically addressing the use of CCBs in these different types of CCB applications. (5) The development of federal procurement guidelines under Executive Order 12873 titled ''Federal Acquisition, Recycling and Waste Prevention,'' in October 1993 was a positive step toward getting CCBs accepted in the marketplace. Industry needs to continue to work with EPA to develop additional procurement guidelines for products containing CCBs--and to take advantage of existing guidelines to encourage the use of CCBs in high-profile projects. (6) Accelerated progress toward increased utilization of CCBs can be made only if there is an increased financial commitment and technical effort by industry and government. The framework for this has been set by the successful cooperation of industry and government under DOE leadership. Cooperation should continue, with DOE fulfilling its lead role established in the RTC. It is clear that the RTC recommendations continue to have validity with respect to increasing CCB utilization and continue to provide guidance to industry and government agencies.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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

  6. 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.

  7. 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 04000 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.

  8. 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.

  9. American Society of Agricultural and Biological Engineers Annual International Meeting

    Broader source: Energy.gov [DOE]

    The 2015 American Society of Agricultural and Biological Engineers Annual International Meeting will be held in New Orleans, Louisiana on July 26–29, 2015, and will examine industry trends and innovations, with a focus on the focus on the economic, political and social factors influencing the industry. Bioenergy Technologies Office Director Jonathan Male, Program Manager Alison Goss Eng, and Technology Managers Sam Tagore, Mark Elless, and Steve Thomas will be in attendance.

  10. Incorporating Bioenergy in Sustainable Landscape Designs Workshop Two: Agricultural Landscapes

    SciTech Connect (OSTI)

    Negri, M. Cristina; Ssegane, H.

    2015-08-01

    The Bioenergy Technologies Office hosted two workshops on Incorporating Bioenergy in Sustainable Landscape Designs with Oak Ridge and Argonne National Laboratories in 2014. The second workshop focused on agricultural landscapes and took place in Argonne, IL from June 24—26, 2014. The workshop brought together experts to discuss how landscape design can contribute to the deployment and assessment of sustainable bioenergy. This report summarizes the discussions that occurred at this particular workshop.

  11. Climate change effects on agriculture: Economic responses to biophysical shocks

    SciTech Connect (OSTI)

    Nelson, Gerald; Valin, Hugo; Sands, Ronald; Havlik, Petr; Ahammad, Helal; Deryng, Delphine; Elliott, Joshua; Fujimori, Shinichiro; Hasegawa, Tomoko; Heyhoe, Edwina; Kyle, G. Page; von Lampe, Martin; Lotze-Campen, Hermann; Mason d'Croz, Daniel; van Meijl, Hans; van der Mensbrugghe, Dominique; Mueller, C.; Popp, Alexander; Robertson, Richard; Robinson, Sherman; Schmid, E.; Schmitz, Christoph; Tabeau, Andrzej; Willenbockel, Dirk

    2013-12-16

    Agricultural production is sensitive to weather and will thus be directly affected by climate change. Plausible estimates of these climate change impacts require combined use of climate, crop, and economic models. Results from previous studies vary substantially due to differences in models, scenarios, and data. This paper is part of a collective effort to systematically integrate these three types of models. We focus on the economic component of the assessment, investigating how nine global economic models of agriculture represent endogenous responses to seven standardized climate change scenarios produced by two climate and five crop models. These responses include adjustments in yields, area, consumption, and international trade. We apply biophysical shocks derived from the IPCCs Representative Concentration Pathway that result in end-of-century radiative forcing of 8.5 watts per square meter. The mean biophysical impact on crop yield with no incremental CO2 fertilization is a 17 percent reduction globally by 2050 relative to a scenario with unchanging climate. Endogenous economic responses reduce yield loss to 11 percent, increase area of major crops by 12 percent, and reduce consumption by 2 percent. Agricultural production, cropland area, trade, and prices show the greatest degree of variability in response to climate change, and consumption the lowest. The sources of these differences includes model structure and specification; in particular, model assumptions about ease of land use conversion, intensification, and trade. This study identifies where models disagree on the relative responses to climate shocks and highlights research activities needed to improve the representation of agricultural adaptation responses to climate change.

  12. Technical specifications for mechanical recycling of agricultural plastic waste

    SciTech Connect (OSTI)

    Briassoulis, D. Hiskakis, M.; Babou, E.

    2013-06-15

    Highlights: Technical specifications for agricultural plastic wastes (APWs) recycling proposed. Specifications are the base for best economical and environmental APW valorisation. Analysis of APW reveals inherent characteristics and constraints of APW streams. Thorough survey on mechanical recycling processes and industry as it applies to APW. Specifications for APW recycling tested, adjusted and verified through pilot trials. - Abstract: Technical specifications appropriate for the recycling of agricultural plastic wastes (APWs), widely accepted by the recycling industry were developed. The specifications establish quality standards to be met by the agricultural plastics producers, users and the agricultural plastic waste management chain. They constitute the base for the best economical and environmental valorisation of the APW. The analysis of the APW streams conducted across Europe in the framework of the European project LabelAgriWaste revealed the inherent characteristics of the APW streams and the inherent constraints (technical or economical) of the APW. The APW stream properties related to its recycling potential and measured during pilot trials are presented and a subsequent universally accepted simplified and expanded list of APW recycling technical specifications is proposed and justified. The list includes two sets of specifications, applied to two different quality categories of recyclable APW: one for pellet production process (Quality I) and another one for plastic profile production process (Quality II). Parameters that are taken into consideration in the specifications include the APW physical characteristics, contamination, composition and degradation. The proposed specifications are focused on polyethylene based APW that represents the vast majority of the APW stream. However, the specifications can be adjusted to cover also APW of different materials (e.g. PP or PVC) that are found in very small quantities in protected cultivations in Europe. The adoption of the proposed specifications could transform this waste stream into a labelled commodity traded freely in the market and will constitute the base for the best economical and environmental valorisation of the APW.

  13. 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.

  14. Press Roundtable with U.S. Energy Secretary Bodman & U.S. Agriculture...

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

    Roundtable with U.S. Energy Secretary Bodman & U.S. Agriculture Secretary Johanns Transcript Press Roundtable with U.S. Energy Secretary Bodman & U.S. Agriculture Secretary Johanns ...

  15. OECD-A Green Growth Strategy for Food and Agriculture | Open...

    Open Energy Info (EERE)

    OECD-A Green Growth Strategy for Food and Agriculture Jump to: navigation, search Tool Summary LAUNCH TOOL Name: OECD-A Green Growth Strategy for Food and Agriculture Agency...

  16. Vietnam-EC-LEDS in the Agriculture Sector | Open Energy Information

    Open Energy Info (EERE)

    Sector Climate, Land Focus Area Agriculture, Economic Development, Greenhouse Gas, Land Use Topics Adaptation, Implementation, Low emission development planning, -LEDS,...

  17. Costa Rica-EC-LEDS in the Agriculture Sector | Open Energy Information

    Open Energy Info (EERE)

    Sector Climate, Land Focus Area Agriculture, Economic Development, Greenhouse Gas, Land Use Topics Adaptation, Implementation, Low emission development planning, -LEDS,...

  18. Kenya-EC-LEDS in the Agriculture Sector | Open Energy Information

    Open Energy Info (EERE)

    Sector Climate, Land Focus Area Agriculture, Economic Development, Greenhouse Gas, Land Use Topics Adaptation, Implementation, Low emission development planning, -LEDS,...

  19. Analysis of Impacts on Prime or Unique Agricultural Lands in Implementing

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

    NEPA | Department of Energy Analysis of Impacts on Prime or Unique Agricultural Lands in Implementing NEPA Analysis of Impacts on Prime or Unique Agricultural Lands in Implementing NEPA This Council on Environmental Quality (CEQ) memorandum on Analysis of Impacts on Prime or Unique Agricultural Lands in Implementing the National Environmental Policy Act was developed in cooperation with the Department of Agriculture. It updates and supersedes CEQ's previous memorandum on this subject of

  20. 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.

  1. 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 cm1) 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 cm1) and the C-O-P vibrational modes (~995 to 1004 cm1) 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 H2OH2O vibrational modes (~3450 to 3660 cm1) increased in complexity with higher hydration levels and reflect the extended hydrogen bonding networks formed between the explicit waters in the hydrated Sarin clusters.

  2. 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.

  3. 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.

  4. 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.

  5. Missouri Agricultural Energy Saving Team-A Revolutionary Opportunity (MAESTRO)

    SciTech Connect (OSTI)

    McIntosh, Jane; Schumacher, Leon

    2014-10-23

    The Missouri Agricultural Energy Saving Team-A Revolutionary Opportunity (MAESTRO) program brought together a team of representatives from government, academia, and private industry to enhance the availability of energy efficiency services for small livestock producers in the State of Missouri. The Missouri Department of Agriculture (MDA) managed the project via a subcontract with the University of Missouri (MU), College of Agriculture Food and Natural Resources, MU Extension, the MU College of Human Environmental Sciences, the MU College of Engineering, and the Missouri Agricultural and Small Business Development Authority (MASBDA). MU teamed with EnSave, Inc, a nationally-recognized expert in agricultural energy efficiency to assist with marketing, outreach, provision of farm energy audits and customer service. MU also teamed with independent home contractors to facilitate energy audits of the farm buildings and homes of these livestock producers. The goals of the project were to: (1) improve the environment by reducing fossil fuel emissions and reducing the total energy used on small animal farms; (2) stimulate the economy of local and regional communities by creating or retaining jobs; and (3) improve the profitability of Missouri livestock producers by reducing their energy expenditures. Historically, Missouri scientists/engineers conducted programs on energy use in agriculture, such as in equipment, grain handling and tillage practices. The MAESTRO program was the first to focus strictly on energy efficiency associated with livestock production systems in Missouri and to investigate the applicability and potential of addressing energy efficiency in animal production from a building efficiency perspective. A. Project Objectives The goal of the MAESTRO program was to strengthen the financial viability and environmental soundness of Missouri's small animal farms by helping them implement energy efficient technologies for the production facility, farm buildings, and the homes on these farms. The expected measurable outcomes of the project were to improve the environment and stimulate the economy by: • Reducing annual fossil fuel emissions by 1,942 metric tons of carbon dioxide equivalent, reducing the total annual energy use on at least 323 small animal farms and 100 farm homes by at least 8,000 kWh and 2,343 therms per farm. • Stimulating the economy by creating or retaining at least 69 jobs, and saving small animal farmers an average of $2,071 per farm in annual energy expenditures. B. Project Scope The MAESTRO team chose the target population of small farms because while all agriculture is traditionally underserved in energy efficiency programs, small farms were particularly underserved because they lack the financial resources and access to energy efficiency technologies that larger farms deploy. The MAESTRO team reasoned that energy conservation, financial and educational programs developed while serving the agricultural community could serve as a national model for other states and their agricultural sectors. The target population was approximately 2,365 small animal farm operations in Missouri, specifically those farms that were not by definition a confined animal feeding operation (CAFO). The program was designed to create jobs by training Missouri contractors and Missouri University Extension staff how to conduct farm audits. The local economy would be stimulated by an increase in construction activity and an increasing demand for energy efficient farm equipment. Additionally, the energy savings were deemed critical in keeping Missouri farms in business. This project leveraged funds using a combination of funds from the Missouri Department of Natural Resources’ Missouri Energy Center and its Soil and Water Conservation Program, from the state's Linked Deposits, MASBDA's agricultural loan guarantee programs, and through the in-kind contribution of faculty and staff time to the project from these agencies and MU. Several hundred Missouri livestock producers were contacted during the MAESTRO project. Of the livestock producers, 254 invited the team to conduct a farm energy assessment which complied with ASABE 612. A total of 147 livestock farm upgrades were implemented, representing 57.5 percent of the farms for which a farm energy assessment was completed. This represented a statewide average annual savings of 1,088,324 kWh and 75,516 therms. The team also reviewed the condition of the livestock producer’s home(s). A total of 106 home energy assessments were completed and 48 individual homes implemented their recommended upgrades, representing 45 percent of the farm homes for which an energy assessment was completed. This represented a statewide average annual savings of 323,029 kWh, and 769.4 therms. More of these farmers likely would have updated their homes but the funding to incentivize them fell short. In spite of the shortfall in incentive funds, some farmers still updated their homes as they saw the value in making these changes to their home.

  6. 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....

  7. 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...

  8. Rodigo 1, northern Italy: A geothermal complex for agriculture

    SciTech Connect (OSTI)

    Faccini, U.; Magnoni, S.; Sordelli, C. )

    1993-04-01

    The Padana Valley is an area rich in warm waters. At Rodigo, near Mantua, a well drilled by Agip supplied 80 m[sup 3]/h of water at 59[degree]C. A cooperative of farmers, with the aid of the Institute of Applied Physics of the University of Milan, has developed a complex for agricultural uses of these warm waters: greenhouses, plants for cereal and forage drying and tanks for aquaculture, all utilizing geothermal energy. The Institute of Applied Physics has also installed a continuous radon monitoring station which measures the radon level in the geothermal well.

  9. Department of Interior, Energy & Agriculture Collaborative BiofacilityInitiative

    Office of Environmental Management (EM)

    Interior, Energy & Agriculture Collaborative Biofacility Initiative Faline Haven Office of Tribal Relations USDA Forest Service fhaven@fs.fed.us 202-263-9396 Federal Land Management Agencies 77 million ha 106 million ha 38 million ha 34 million ha 22 million ha The National Forests and Grasslands - 77 million hectares (8% of U.S. Land Area) Ownership of Lands Managed by the Federal Government Total Federal Lands = 283 million hectares (1/3 of US land base) Forest Service/Tribal Relationship

  10. 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.

  11. 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.

  12. 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.

  13. Systems and methods for autonomously controlling agricultural machinery

    SciTech Connect (OSTI)

    Hoskinson, Reed L.; Bingham, Dennis N.; Svoboda, John M.; Hess, J. Richard

    2003-07-08

    Systems and methods for autonomously controlling agricultural machinery such as a grain combine. The operation components of a combine that function to harvest the grain have characteristics that are measured by sensors. For example, the combine speed, the fan speed, and the like can be measured. An important sensor is the grain loss sensor, which may be used to quantify the amount of grain expelled out of the combine. The grain loss sensor utilizes the fluorescence properties of the grain kernels and the plant residue to identify when the expelled plant material contains grain kernels. The sensor data, in combination with historical and current data stored in a database, is used to identify optimum operating conditions that will result in increased crop yield. After the optimum operating conditions are identified, an on-board computer can generate control signals that will adjust the operation of the components identified in the optimum operating conditions. The changes result in less grain loss and improved grain yield. Also, because new data is continually generated by the sensor, the system has the ability to continually learn such that the efficiency of the agricultural machinery is continually improved.

  14. Opportunities for Automated Demand Response in California Agricultural Irrigation

    SciTech Connect (OSTI)

    Olsen, Daniel; Aghajanzadeh, Arian; McKane, Aimee

    2015-08-01

    Pumping water for agricultural irrigation represents a significant share of California’s annual electricity use and peak demand. It also represents a large source of potential flexibility, as farms possess a form of storage in their wetted soil. By carefully modifying their irrigation schedules, growers can participate in demand response without adverse effects on their crops. This report describes the potential for participation in demand response and automated demand response by agricultural irrigators in California, as well as barriers to widespread participation. The report first describes the magnitude, timing, location, purpose, and manner of energy use in California. Typical on-­farm controls are discussed, as well as common impediments to participation in demand response and automated demand response programs. Case studies of demand response programs in California and across the country are reviewed, and their results along with overall California demand estimates are used to estimate statewide demand response potential. Finally, recommendations are made for future research that can enhance the understanding of demand response potential in this industry.

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

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect 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 Authors: Navratil, P ; Roth, R ; Quaglioni, S Publication Date: 2011-05-23 OSTI Identifier: 1122228 Report Number(s): LLNL-JRNL-484916 DOE Contract Number: W-7405-ENG-48 Resource Type: Journal Article Resource Relation: Journal Name: Physics Letters B, vol. 704, na, September 22, 2011, pp.

  16. 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}.

  17. Agricultural and Environmental Input Parameters for the Biosphere Model

    SciTech Connect (OSTI)

    K. Rasmuson; K. Rautenstrauch

    2004-09-14

    This analysis is one of 10 technical reports that support the Environmental Radiation Model for Yucca Mountain Nevada (ERMYN) (i.e., the biosphere model). It documents development of agricultural and environmental input parameters for the biosphere model, and supports the use of the model to develop biosphere dose conversion factors (BDCFs). The biosphere model is one of a series of process models supporting the total system performance assessment (TSPA) for the repository at Yucca Mountain. The ERMYN provides the TSPA with the capability to perform dose assessments. A graphical representation of the documentation hierarchy for the ERMYN is presented in Figure 1-1. This figure shows the interrelationships between the major activities and their products (the analysis and model reports) that were planned in ''Technical Work Plan for Biosphere Modeling and Expert Support'' (BSC 2004 [DIRS 169573]). The ''Biosphere Model Report'' (BSC 2004 [DIRS 169460]) describes the ERMYN and its input parameters.

  18. Biomass Support for the China Renewable Energy Law: Feasibility Report -- Agricultural and Forestry Solid Wastes Power Generation Demonstration, December 2005

    SciTech Connect (OSTI)

    Not Available

    2006-10-01

    Subcontractor report on feasibility of using agricultural and forestry wastes for power generation in China

  19. Departments of the Navy, Energy and Agriculture Invest in Construction of

    Energy Savers [EERE]

    Three Biorefineries to Produce Drop-In Biofuel for Military | Department of Energy the Navy, Energy and Agriculture Invest in Construction of Three Biorefineries to Produce Drop-In Biofuel for Military Departments of the Navy, Energy and Agriculture Invest in Construction of Three Biorefineries to Produce Drop-In Biofuel for Military September 19, 2014 - 12:10pm Addthis News Media Contact 202-586-4940 Departments of the Navy, Energy and Agriculture Invest in Construction of Three

  20. U.S. Departments of Agriculture and Energy Announce Funding for Biomass

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

    Research and Development Initiative | Department of Energy Agriculture and Energy Announce Funding for Biomass Research and Development Initiative U.S. Departments of Agriculture and Energy Announce Funding for Biomass Research and Development Initiative April 15, 2011 - 12:00am Addthis WASHINGTON, April 15, 2011- To support President Obama's goal of reducing America's oil imports by one-third by 2025, the U.S. Departments of Agriculture (USDA) and Energy (DOE) today jointly announced up to

  1. Departments of Energy, Navy, and Agriculture Invest $210 million in Three

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

    Commercial Biorefineries to Produce Drop-in Biofuel for the Military | Department of Energy Departments of Energy, Navy, and Agriculture Invest $210 million in Three Commercial Biorefineries to Produce Drop-in Biofuel for the Military Departments of Energy, Navy, and Agriculture Invest $210 million in Three Commercial Biorefineries to Produce Drop-in Biofuel for the Military January 30, 2015 - 5:49pm Addthis In 2014, the U.S. Departments of Energy, Navy, and Agriculture announced that

  2. Department of Agriculture and Energy Department Announce Up to $8.7 Million

    Office of Environmental Management (EM)

    through the Interagency Biomass Research and Development Initiative | Department of Energy Department of Agriculture and Energy Department Announce Up to $8.7 Million through the Interagency Biomass Research and Development Initiative Department of Agriculture and Energy Department Announce Up to $8.7 Million through the Interagency Biomass Research and Development Initiative March 3, 2015 - 11:00am Addthis The U.S. Department Agriculture in collaboration with the Energy Department announced

  3. Energy and Agriculture Depts. Provide $8.3 Million in Funding for Biofuels

    Energy Savers [EERE]

    Research | Department of Energy Agriculture Depts. Provide $8.3 Million in Funding for Biofuels Research Energy and Agriculture Depts. Provide $8.3 Million in Funding for Biofuels Research June 7, 2007 - 1:25pm Addthis WASHINGTON, DC - U.S. Energy Secretary Samuel Bodman and Agriculture Secretary Mike Johanns today announced that the Department of Energy and the Department of Agriculture have jointly selected 11 projects for awards totaling $8.3 million for biobased fuels research that will

  4. Climate Change Mitigation Through Land-Use Measures in the Agriculture...

    Open Energy Info (EERE)

    and Forestry Sectors Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Climate Change Mitigation Through Land-Use Measures in the Agriculture and Forestry...

  5. Energy Supply- Production of Fuel from Agricultural and Animal Waste

    SciTech Connect (OSTI)

    Gabriel Miller

    2009-03-25

    The Society for Energy and Environmental Research (SEER) was funded in March 2004 by the Department of Energy, under grant DE-FG-36-04GO14268, to produce a study, and oversee construction and implementation, for the thermo-chemical production of fuel from agricultural and animal waste. The grant focuses on the Changing World Technologies (CWT) of West Hempstead, NY, thermal conversion process (TCP), which converts animal residues and industrial food processing biproducts into fuels, and as an additional product, fertilizers. A commercial plant was designed and built by CWT, partially using grant funds, in Carthage, Missouri, to process animal residues from a nearby turkey processing plant. The DOE sponsored program consisted of four tasks. These were: Task 1 Optimization of the CWT Plant in Carthage - This task focused on advancing and optimizing the process plant operated by CWT that converts organic waste to fuel and energy. Task 2 Characterize and Validate Fuels Produced by CWT - This task focused on testing of bio-derived hydrocarbon fuels from the Carthage plant in power generating equipment to determine the regulatory compliance of emissions and overall performance of the fuel. Task 3 Characterize Mixed Waste Streams - This task focused on studies performed at Princeton University to better characterize mixed waste incoming streams from animal and vegetable residues. Task 4 Fundamental Research in Waste Processing Technologies - This task focused on studies performed at the Massachusetts Institute of Technology (MIT) on the chemical reformation reaction of agricultural biomass compounds in a hydrothermal medium. Many of the challenges to optimize, improve and perfect the technology, equipment and processes in order to provide an economically viable means of creating sustainable energy were identified in the DOE Stage Gate Review, whose summary report was issued on July 30, 2004. This summary report appears herein as Appendix 1, and the findings of the report formed the basis for much of the subsequent work under the grant. An explanation of the process is presented as well as the completed work on the four tasks.

  6. 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

  7. Convergent bacterial microbiotas in the fungal agricultural systems of insects

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

    Aylward, Frank O.; Suen, Garret; Biedermann, Peter H. W.; Adams, Aaron S.; Scott, Jarrod J.; Malfatti, Stephanie A.; Glavina del Rio, Tijana; Tringe, Susannah G.; Poulsen, Michael; Raffa, Kenneth F.; et al

    2014-11-18

    The ability to cultivate food is an innovation that has produced some of the most successful ecological strategies on the planet. Although most well recognized in humans, where agriculture represents a defining feature of civilization, species of ants, beetles, and termites have also independently evolved symbioses with fungi that they cultivate for food. Despite occurring across divergent insect and fungal lineages, the fungivorous niches of these insects are remarkably similar, indicating convergent evolution toward this successful ecological strategy. Here, we characterize the microbiota of ants, beetles, and termites engaged in nutritional symbioses with fungi to define the bacterial groups associatedmore » with these prominent herbivores and forest pests. Using culture-independent techniques and the in silico reconstruction of 37 composite genomes of dominant community members, we demonstrate that different insect-fungal symbioses that collectively shape ecosystems worldwide have highly similar bacterial microbiotas comprised primarily of the genera Enterobacter, Rahnella, and Pseudomonas. Although these symbioses span three orders of insects and two phyla of fungi, we show that they are associated with bacteria sharing high whole-genome nucleotide identity. Due to the fine-scale correspondence of the bacterial microbiotas of insects engaged in fungal symbioses, our findings indicate that this represents an example of convergence of entire host-microbe complexes.« less

  8. Convergent bacterial microbiotas in the fungal agricultural systems of insects

    SciTech Connect (OSTI)

    Aylward, Frank O.; Suen, Garret; Biedermann, Peter H. W.; Adams, Aaron S.; Scott, Jarrod J.; Malfatti, Stephanie A.; Glavina del Rio, Tijana; Tringe, Susannah G.; Poulsen, Michael; Raffa, Kenneth F.; Klepzig, Kier D.; Currie, Cameron R.

    2014-11-18

    The ability to cultivate food is an innovation that has produced some of the most successful ecological strategies on the planet. Although most well recognized in humans, where agriculture represents a defining feature of civilization, species of ants, beetles, and termites have also independently evolved symbioses with fungi that they cultivate for food. Despite occurring across divergent insect and fungal lineages, the fungivorous niches of these insects are remarkably similar, indicating convergent evolution toward this successful ecological strategy. Here, we characterize the microbiota of ants, beetles, and termites engaged in nutritional symbioses with fungi to define the bacterial groups associated with these prominent herbivores and forest pests. Using culture-independent techniques and the in silico reconstruction of 37 composite genomes of dominant community members, we demonstrate that different insect-fungal symbioses that collectively shape ecosystems worldwide have highly similar bacterial microbiotas comprised primarily of the genera Enterobacter, Rahnella, and Pseudomonas. Although these symbioses span three orders of insects and two phyla of fungi, we show that they are associated with bacteria sharing high whole-genome nucleotide identity. Due to the fine-scale correspondence of the bacterial microbiotas of insects engaged in fungal symbioses, our findings indicate that this represents an example of convergence of entire host-microbe complexes.

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

    SciTech Connect (OSTI)

    Erba, A. 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.

  10. 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.

  11. 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}.

  12. 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.

  13. 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.

  14. 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.

  15. Analysis of Impacts on Prime or Unique Agricultural Lands in Implementing NEPA (CEQ, 1980)

    Broader source: Energy.gov [DOE]

    This Council on Environmental Quality (CEQ) memorandum on Analysis of Impacts on Prime or Unique Agricultural Lands in Implementing the National Environmental Policy Act was developed in cooperation with the Department of Agriculture. It updates and supersedes CEQ's previous memorandum on this subject of August 1976.

  16. Abstract: Design and Demonstration of an Advanced Agricultural Feedstock Supply System for Lignocellulosic Bioenergy Production

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

    Applicant Name: FDC Enterprises Grasslands Services Project Director / Principal Investigator: Fred Circle, President Project Title: Design and Demonstration of an Advanced Agricultural Feedstock Supply System for Lignocellulosic Bioenergy Production Project Objectives: The primary objectives of this project are to design and fabricate key agricultural harvest equipment improvements that will significantly reduce the harvest, staging, and hauling costs associated with supplying herbaceous energy

  17. Feasibility study for a 10 MM GPY fuel ethanol plant, Brady Hot Springs, Nevada. Volume II. Geothermal resource, agricultural feedstock, markets and economic viability

    SciTech Connect (OSTI)

    Not Available

    1980-09-01

    The issues of the geothermal resource at Brady's Hot Springs are dealt with: the prospective supply of feedstocks to the ethanol plant, the markets for the spent grain by-products of the plant, the storage, handling and transshipment requirements for the feedstocks and by-products from a rail siding facility at Fernley, the probable market for fuel ethanol in the region, and an assessment of the economic viability of the entire undertaking.

  18. Sustainable Agricultural Residue Removal for Bioenergy: A Spatially Comprehensive National Assessment

    SciTech Connect (OSTI)

    D. Muth, Jr.; K. M. Bryden; R. G. Nelson

    2013-02-01

    This study provides a spatially comprehensive assessment of sustainable agricultural residue removal potential across the United States. Earlier assessments determining the quantity of agricultural residue that could be sustainably removed for bioenergy production at the regional and national scale faced a number of computational limitations. These limitations included the number of environmental factors, the number of land management scenarios, and the spatial fidelity and spatial extent of the assessment. This study utilizes integrated multi-factor environmental process modeling and high fidelity land use datasets to perform a spatially comprehensive assessment of sustainably removable agricultural residues across the conterminous United States. Soil type represents the base spatial unit for this study and is modeled using a national soil survey database at the 10 100 m scale. Current crop rotation practices are identified by processing land cover data available from the USDA National Agricultural Statistics Service Cropland Data Layer database. Land management and residue removal scenarios are identified for each unique crop rotation and crop management zone. Estimates of county averages and state totals of sustainably available agricultural residues are provided. The results of the assessment show that in 2011 over 150 million metric tons of agricultural residues could have been sustainably removed across the United States. Projecting crop yields and land management practices to 2030, the assessment determines that over 207 million metric tons of agricultural residues will be able to be sustainably removed for bioenergy production at that time.

  19. Sustainable agricultural residue removal for bioenergy: A spatially comprehensive US national assessment

    SciTech Connect (OSTI)

    Muth, David J.; Bryden, Kenneth Mark; Nelson, R. G.

    2012-10-06

    This study provides a spatially comprehensive assessment of sustainable agricultural residue removal potential across the United States for bioenergy production. Earlier assessments determining the quantity of agricultural residue that could be sustainably removed for bioenergy production at the regional and national scale faced a number of computational limitations. These limitations included the number of environmental factors, the number of land management scenarios, and the spatial fidelity and spatial extent of the assessment. This study utilizes integrated multi-factor environmental process modeling and high fidelity land use datasets to perform the sustainable agricultural residue removal assessment. Soil type represents the base spatial unit for this study and is modeled using a national soil survey database at the 10100 m scale. Current crop rotation practices are identified by processing land cover data available from the USDA National Agricultural Statistics Service Cropland Data Layer database. Land management and residue removal scenarios are identified for each unique crop rotation and crop management zone. Estimates of county averages and state totals of sustainably available agricultural residues are provided. The results of the assessment show that in 2011 over 150 million metric tons of agricultural residues could have been sustainably removed across the United States. Projecting crop yields and land management practices to 2030, the assessment determines that over 207 million metric tons of agricultural residues will be able to be sustainably removed for bioenergy production at that time. This biomass resource has the potential for producing over 68 billion liters of cellulosic biofuels.

  20. The potential of wetlands for mitigating adverse effects of agricultural drainage

    SciTech Connect (OSTI)

    Silverman, G.S.

    1995-12-01

    Agricultural runoff has been clearly identified as a major contributor to the failure of much of the surface water in the United States to meet designated use objectives. Control of agricultural drainage is very problematic. The agriculture industry strongly resists mandated controls, and warns of potential catastrophic consequences in food shortages should production methods be altered. Yet concern grows over the long and short term impact of a variety of contaminants - particularly sediments, nutrients, and pesticides - released to our waters as part of normal agricultural practices. For quite some time, wetlands have been explored for their potential in treating sewage (from both municipal and private systems) and acid mine drainage. Much less work has been done looking at the potential for wetlands to treat agricultural drainage. yet, wetlands may offer tremendous potential for mitigating problems of agricultural runoff while offering farmers desirable (or at least acceptable) uses of marginal land. This paper has two objectives. First, the opportunities for wetlands to be used as agricultural drainage treatment facilities are described. Processes are identified which trap or degrade pollutants, with particular attention given to long-term environmental fate. Second, an experimental wetlands system recently developed in Northwest Ohio is used as an example of system implementation. Emphasis will be given to how the system was developed to optimize pollutant removal within the physical constraints of the site. Preliminary performance data with respect to water quality changes will also be presented.

  1. Energy Secretary Chu, Agriculture Secretary Vilsack Announce $6.3 million

    Energy Savers [EERE]

    for Biofuels Research | Department of Energy Chu, Agriculture Secretary Vilsack Announce $6.3 million for Biofuels Research Energy Secretary Chu, Agriculture Secretary Vilsack Announce $6.3 million for Biofuels Research July 22, 2009 - 12:00am Addthis Washington, DC - U.S. Department of Energy Secretary Steven Chu and U.S. Department of Agriculture Secretary Tom Vilsack announced today the joint selection of awards of up to $6.3 million towards fundamental genomics-enabled research leading

  2. 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.

  3. Hazmat work opens up career options for Adam Sayre, agricultural economist

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

    Hazmat work opens up new world of career options Hazmat work opens up career options for Adam Sayre, agricultural economist Agricultural economics undergraduate works behind the scenes to ensure quality work on gloveboxes used for hazardous materials. August 3, 2012 Adam Syare Adam works closely with many aspects of project management and engineering, such as scheduling and procurement. His main role is to capture and track information and questions during the fabrication process. Subcontractors

  4. 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.

  5. 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.

  6. 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.

  7. 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

  8. 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)

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. Opportunities for Demand Response in California Agricultural Irrigation: A Scoping Study

    SciTech Connect (OSTI)

    Marks, Gary; Wilcox, Edmund; Olsen, Daniel; Goli, Sasank

    2013-01-02

    California agricultural irrigation consumes more than ten billion kilowatt hours of electricity annually and has significant potential for contributing to a reduction of stress on the grid through demand response, permanent load shifting, and energy efficiency measures. To understand this potential, a scoping study was initiated for the purpose of determining the associated opportunities, potential, and adoption challenges in California agricultural irrigation. The primary research for this study was conducted in two ways. First, data was gathered and parsed from published sources that shed light on where the best opportunities for load shifting and demand response lie within the agricultural irrigation sector. Secondly, a small limited survey was conducted as informal face-to-face interviews with several different California growers to get an idea of their ability and willingness to participate in permanent load shifting and/or demand response programs. Analysis of the data obtained from published sources and the survey reveal demand response and permanent load shifting opportunities by growing region, irrigation source, irrigation method, grower size, and utility coverage. The study examines some solutions for demand response and permanent load shifting in agricultural irrigation, which include adequate irrigation system capacity, automatic controls, variable frequency drives, and the contribution from energy efficiency measures. The study further examines the potential and challenges for grower acceptance of demand response and permanent load shifting in California agricultural irrigation. As part of the examination, the study considers to what extent permanent load shifting, which is already somewhat accepted within the agricultural sector, mitigates the need or benefit of demand response for agricultural irrigation. Recommendations for further study include studies on how to gain grower acceptance of demand response as well as other related studies such as conducting a more comprehensive survey of California growers.

  14. 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.

  15. 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. 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

  16. 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.

  17. abs.published.pdf

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

  18. abs.submitted.pdf

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

  19. 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 ederation/Cyclotron I nstitute, T AMU Summary A s eries o f 5 l ectures i s d evoted t o o ne o f t he m ost f undamental p roblems o f m odern p hysics, n uclear chemistry and astrophysics - the problem of existence of hypothetical super heavy elements. Experimental s tudies o f t he p ast 1 5 y ears l ed t o a d iscovery o f s o---called " Island o f s tability" o f n eutron--- rich nuclei,

  20. 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 ...

  1. GCAM 3.0 Agriculture and Land Use: Data Sources and Methods

    SciTech Connect (OSTI)

    Kyle, G. Page; Luckow, Patrick; Calvin, Katherine V.; Emanuel, William R.; Nathan, Mayda; Zhou, Yuyu

    2011-12-12

    This report presents the data processing methods used in the GCAM 3.0 agriculture and land use component, starting from all source data used, and detailing all calculations and assumptions made in generating the model inputs. The report starts with a brief introduction to modeling of agriculture and land use in GCAM 3.0, and then provides documentation of the data and methods used for generating the base-year dataset and future scenario parameters assumed in the model input files. Specifically, the report addresses primary commodity production, secondary (animal) commodity production, disposition of commodities, land allocation, land carbon contents, and land values.

  2. Press Roundtable with U.S. Energy Secretary Bodman & U.S. Agriculture

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

    Secretary Johanns Transcript | Department of Energy Roundtable with U.S. Energy Secretary Bodman & U.S. Agriculture Secretary Johanns Transcript Press Roundtable with U.S. Energy Secretary Bodman & U.S. Agriculture Secretary Johanns Transcript September 7, 2006 - 8:53am Addthis SECRETARY SAMUEL BODMAN: Good morning, everybody. It's been a while since we've seen each other, so welcome back, and we're glad that we've got a chance to get together. I want to welcome my friend, Secretary

  3. Energy Department Joins Agriculture and Navy in the Fight for Clean Energy

    Office of Environmental Management (EM)

    Transportation | Department of Energy Joins Agriculture and Navy in the Fight for Clean Energy Transportation Energy Department Joins Agriculture and Navy in the Fight for Clean Energy Transportation October 2, 2014 - 2:50pm Addthis DOE, USDA, and Navy are working with private industry to produce advanced drop-in biofuels that can be used by the Department of Defense and the private transportation sector. | Photo courtesy of U.S. Navy. DOE, USDA, and Navy are working with private industry to

  4. EERE Success Story-Departments of Energy, Navy, and Agriculture Invest

    Office of Environmental Management (EM)

    $210 million in Three Commercial Biorefineries to Produce Drop-in Biofuel for the Military | Department of Energy Departments of Energy, Navy, and Agriculture Invest $210 million in Three Commercial Biorefineries to Produce Drop-in Biofuel for the Military EERE Success Story-Departments of Energy, Navy, and Agriculture Invest $210 million in Three Commercial Biorefineries to Produce Drop-in Biofuel for the Military January 30, 2015 - 5:49pm Addthis In 2014, the U.S. Departments of Energy,

  5. Second biomass conference of the Americas: Energy, environment, agriculture, and industry. Proceedings

    SciTech Connect (OSTI)

    1995-01-01

    This volume provides the proceedings for the Second Biomass Conference of the Americas: Energy, Environment, Agriculture, and Industry which was held August 21-24, 1995. The volume contains copies of full papers as provided by the researchers. Individual papers were separately indexed and abstracted for the database.

  6. Agriculture and Climate Change in Global Scenarios: Why Don't the Models Agree

    SciTech Connect (OSTI)

    Nelson, Gerald; van der Mensbrugghe, Dominique; Ahammad, Helal; Blanc, Elodie; Calvin, Katherine V.; Hasegawa, Tomoko; Havlik, Petr; Heyhoe, Edwina; Kyle, G. Page; Lotze-Campen, Hermann; von Lampe, Martin; Mason d'Croz, Daniel; van Meijl, Hans; Mueller, C.; Reilly, J. M.; Robertson, Richard; Sands, Ronald; Schmitz, Christoph; Tabeau, Andrzej; Takahashi, Kiyoshi; Valin, Hugo; Willenbockel, Dirk

    2014-01-01

    Agriculture is unique among economic sectors in the nature of impacts from climate change. The production activity that transforms inputs into agricultural outputs makes direct use of weather inputs. Previous studies of the impacts of climate change on agriculture have reported substantial differences in outcomes of key variables such as prices, production, and trade. These divergent outcomes arise from differences in model inputs and model specification. The goal of this paper is to review climate change results and underlying determinants from a model comparison exercise with 10 of the leading global economic models that include significant representation of agriculture. By providing common productivity drivers that include climate change effects, differences in model outcomes are reduced. All models show higher prices in 2050 because of negative productivity shocks from climate change. The magnitude of the price increases, and the adaptation responses, differ significantly across the various models. Substantial differences exist in the structural parameters affecting demand, area, and yield, and should be a topic for future research.

  7. The contribution of future agricultural trends in the US Midwest to global climate change mitigation

    SciTech Connect (OSTI)

    Thomson, Allison M.; Kyle, G. Page; Zhang, Xuesong; Bandaru, Varaprasad; West, Tristram O.; Wise, Marshall A.; Izaurralde, Roberto C.; Calvin, Katherine V.

    2014-01-19

    Land use change is a complex response to changing environmental and socioeconomic systems. Historical drivers of land use change include changes in the natural resource availability of a region, changes in economic conditions for production of certain products and changing policies. Most recently, introduction of policy incentives for biofuel production have influenced land use change in the US Midwest, leading to concerns that bioenergy production systems may compete with food production and land conservation. Here we explore how land use may be impacted by future climate mitigation measures by nesting a high resolution agricultural model (EPIC Environmental Policy Indicator Climate) for the US Midwest within a global integrated assessment model (GCAM Global Change Assessment Model). This approach is designed to provide greater spatial resolution and detailed agricultural practice information by focusing on the climate mitigation potential of agriculture and land use in a specific region, while retaining the global economic context necessary to understand the far ranging effects of climate mitigation targets. We find that until the simulated carbon prices are very high, the US Midwest has a comparative advantage in producing traditional food and feed crops over bioenergy crops. Overall, the model responds to multiple pressures by adopting a mix of future responses. We also find that the GCAM model is capable of simulations at multiple spatial scales and agricultural technology resolution, which provides the capability to examine regional response to global policy and economic conditions in the context of climate mitigation.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. Kelley Hot Spring Geothermal Project: Kelly Hot Spring Agricultural Center conceptual design

    SciTech Connect (OSTI)

    Longyear, A.B.

    1980-06-01

    The proposed core activity in the Kelly Hot Spring Agricultural Center is a nominal 1200 sow swine raising complex. The swine raising is to be a totally confined operation for producing premium pork in controlled environment facilities that utilize geothermal energy. The complex will include a feedmill for producing the various feed formulae required for the animals from breeding through gestation, farrowing, nursery, growing and finishing. The market animals are shipped live by truck to slaughter in Modesto, California. A complete waste management facility will include manure collection from all raising areas, transport via a water flush sysem to methane (biogas) generators, manure separation, settling ponds and disposition of the surplus agricultural quality water. The design is based upon the best commercial practices in confined swine raising in the US today. The most unique feature of the facility is the utilization of geothermal hot water for space heating and process energy throughout the complex.

  13. Comparative Analysis for Polluted Agricultural Soils with Arsenic, Lead, and Mercury in Mexico

    SciTech Connect (OSTI)

    Yarto-Ramirez, Mario; Santos-Santos, Elvira; Gavilan-Garcia, Arturo; Castro-Diaz, Jose; Gavilan-Garcia, Irma Cruz; Rosiles, Rene; Suarez, Sara

    2004-03-31

    The use of mercury in Mexico has been associated with the mining industry of Zacatecas. This activity has polluted several areas currently used for agriculture. The main objective of this study was to investigate the heavy metal concentration (Hg, As and Pb) in soil of Guadalupe Zacatecas in order to justify a further environmental risk assessment in the site. A 2X3 km grid was used for the sampling process and 20 soil samples were taken. The analysis was developed using EPA SW 846: 3050B/6010B method for arsenic and metals and EPA SW 846: 7471A for total mercury. It was concluded that there are heavy metals in agricultural soils used for corn and bean farming. For this it is required to make an environmental risk assessment and a bioavailability study in order to determine if there's a risk for heavy metals bioaccumulation in animals or human beings or metal lixiviation to aquifers.

  14. Bioenergy Technologies Office: Association of Fish and Wildlife Agencies Agricultural Conservation Committee Meeting

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

    Department of Energy Bioenergy Technologies Office Association of Fish & Wildlife Agencies Agricultural Conservation Committee Meeting March 29, 2013 Kristen Johnson Sustainability Lead Bioenergy Technologies Office U.S. Department of Energy 2 Overview * National priorities and the Renewable Fuel Standard * Overview of the Bioenergy Technologies Office (BETO) - Mission - Key RDD&D Activities * DOE's Billion-Ton Update: National Resource Assessment * DOE's Commitment to Sustainability *

  15. Mr. A. F. Vondrasek Vice President and General Manager Agricultural Chemicals Division

    Office of Legacy Management (LM)

    01886 APR 8 1986 Mr. A. F. Vondrasek Vice President and General Manager Agricultural Chemicals Division W. R. Grace and Company P.O. Box 471 Bartow, Florida 33830 Dear Mr. Vondrasek: C The Department of Energy is evaluating the radiological condition of sites that were utilized by the Manhattan Engineer District and the Atomic Energy Commission (AEC) during the early years of nuclear energy development to determine whether they need remedial action and whether the Department has authority to

  16. A Multi-Factor Analysis of Sustainable Agricultural Residue Removal Potential

    SciTech Connect (OSTI)

    Jared Abodeely; David Muth; Paul Adler; Eleanor Campbell; Kenneth Mark Bryden

    2012-10-01

    Agricultural residues have significant potential as a near term source of cellulosic biomass for bioenergy production, but sustainable removal of agricultural residues requires consideration of the critical roles that residues play in the agronomic system. Previous work has developed an integrated model to evaluate sustainable agricultural residue removal potential considering soil erosion, soil organic carbon, greenhouse gas emission, and long-term yield impacts of residue removal practices. The integrated model couples the environmental process models WEPS, RUSLE2, SCI, and DAYCENT. This study uses the integrated model to investigate the impact of interval removal practices in Boone County, Iowa, US. Residue removal of 4.5 Mg/ha was performed annually, bi-annually, and tri-annually and were compared to no residue removal. The study is performed at the soil type scale using a national soil survey database assuming a continuous corn rotation with reduced tillage. Results are aggregated across soil types to provide county level estimates of soil organic carbon changes and individual soil type soil organic matter content if interval residue removal were implemented. Results show interval residue removal is possible while improving soil organic matter. Implementation of interval removal practices provide greater increases in soil organic matter while still providing substantial residue for bioenergy production.

  17. Using a Decision Support System to Optimize Production of Agricultural Crop Residue Biofeedstock

    SciTech Connect (OSTI)

    Reed L. Hoskinson; Ronald C. Rope; Raymond K. Fink

    2007-04-01

    For several years the Idaho National Laboratory (INL) has been developing a Decision Support System for Agriculture (DSS4Ag) which determines the economically optimum recipe of various fertilizers to apply at each site in a field to produce a crop, based on the existing soil fertility at each site, as well as historic production information and current prices of fertilizers and the forecast market price of the crop at harvest, for growing a crop such as wheat, potatoes, corn, or cotton. In support of the growing interest in agricultural crop residues as a bioenergy feedstock, we have extended the capability of the DSS4Ag to develop a variable-rate fertilizer recipe for the simultaneous economically optimum production of both grain and straw, and have been conducting field research to test this new DSS4Ag. In this paper we report the results of two years of field research testing and enhancing the DSS4Ags ability to economically optimize the fertilization for the simultaneous production of both grain and its straw, where the straw is an agricultural crop residue that can be used as a biofeedstock.

  18. Life Cycle Assessment of Switchgrass Cellulosic Ethanol Production in the Wisconsin and Michigan Agricultural Contexts

    SciTech Connect (OSTI)

    Sinistore, Julie C.; Reinemann, D. J.; Izaurralde, Roberto C.; Cronin, Keith R.; Meier, Paul J.; Runge, Troy M.; Zhang, Xuesong

    2015-04-25

    Spatial variability in yields and greenhouse gas emissions from soils has been identified as a key source of variability in life cycle assessments (LCAs) of agricultural products such as cellulosic ethanol. This study aims to conduct an LCA of cellulosic ethanol production from switchgrass in a way that captures this spatial variability and tests results for sensitivity to using spatially averaged results. The Environment Policy Integrated Climate (EPIC) model was used to calculate switchgrass yields, greenhouse gas (GHG) emissions, and nitrogen and phosphorus emissions from crop production in southern Wisconsin and Michigan at the watershed scale. These data were combined with cellulosic ethanol production data via ammonia fiber expansion and dilute acid pretreatment methods and region-specific electricity production data into an LCA model of eight ethanol production scenarios. Standard deviations from the spatial mean yields and soil emissions were used to test the sensitivity of net energy ratio, global warming potential intensity, and eutrophication and acidification potential metrics to spatial variability. Substantial variation in the eutrophication potential was also observed when nitrogen and phosphorus emissions from soils were varied. This work illustrates the need for spatially explicit agricultural production data in the LCA of biofuels and other agricultural products.

  19. Long-run effects of falling cellulosic ethanol production costs on the US agricultural economy

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

    Bryant, Henry L.; Campiche, Jody L.; Richardson, James W.

    2010-03-09

    Renewable energy production has been expanding at a rapid pace. New advances in cellulosic ethanol technologies have the potential to displace the use of petroleum as a transportation fuel, and could have significant effects on both the agricultural economy and the environment. In this letter, the effects of falling cellulosic ethanol production costs on the mix of ethanol feedstocks employed and on the US agricultural economy are examined. Results indicate that, as expected, cellulosic ethanol production increases by a substantial amount as conversion technology improves. Corn production increases initially following the introduction of cellulosic technology, because producers enjoy new revenuemore » from sales of corn stover. After cellulosic ethanol production becomes substantially cheaper, however, acres are shifted from corn production to all other agricultural commodities. Essentially, this new technology could facilitate the exploitation of a previously under-employed resource (corn stover), resulting in an improvement in overall welfare. Thus in the most optimistic scenario considered, 68% of US ethanol is derived from cellulosic sources, coarse grain production is reduced by about 2%, and the prices of all food commodities are reduced modestly.« less

  20. Long-run effects of falling cellulosic ethanol production costs on the US agricultural economy

    SciTech Connect (OSTI)

    Bryant, Henry L.; Campiche, Jody L.; Richardson, James W.

    2010-03-09

    Renewable energy production has been expanding at a rapid pace. New advances in cellulosic ethanol technologies have the potential to displace the use of petroleum as a transportation fuel, and could have significant effects on both the agricultural economy and the environment. In this letter, the effects of falling cellulosic ethanol production costs on the mix of ethanol feedstocks employed and on the US agricultural economy are examined. Results indicate that, as expected, cellulosic ethanol production increases by a substantial amount as conversion technology improves. Corn production increases initially following the introduction of cellulosic technology, because producers enjoy new revenue from sales of corn stover. After cellulosic ethanol production becomes substantially cheaper, however, acres are shifted from corn production to all other agricultural commodities. Essentially, this new technology could facilitate the exploitation of a previously under-employed resource (corn stover), resulting in an improvement in overall welfare. Thus in the most optimistic scenario considered, 68% of US ethanol is derived from cellulosic sources, coarse grain production is reduced by about 2%, and the prices of all food commodities are reduced modestly.

  1. 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

  2. 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)

  3. 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

  4. Meeting the Radiative Forcing Targets of the Representative Concentration Pathways in a World with Agricultural Climate Impacts

    SciTech Connect (OSTI)

    Kyle, G. Page; Mueller, C.; Calvin, Katherine V.; Thomson, Allison M.

    2014-02-28

    This study assesses how climate impacts on agriculture may change the evolution of the agricultural and energy systems in meeting the end-of-century radiative forcing targets of the Representative Concentration Pathways (RCPs). We build on the recently completed ISI-MIP exercise that has produced global gridded estimates of future crop yields for major agricultural crops using climate model projections of the RCPs from the Coupled Model Intercomparison Project Phase 5 (CMIP5). For this study we use the bias-corrected outputs of the HadGEM2-ES climate model as inputs to the LPJmL crop growth model, and the outputs of LPJmL to modify inputs to the GCAM integrated assessment model. Our results indicate that agricultural climate impacts generally lead to an increase in global cropland, as compared with corresponding emissions scenarios that do not consider climate impacts on agricultural productivity. This is driven mostly by negative impacts on wheat, rice, other grains, and oil crops. Still, including agricultural climate impacts does not significantly increase the costs or change the technological strategies of global, whole-system emissions mitigation. In fact, to meet the most aggressive climate change mitigation target (2.6 W/m2 in 2100), the net mitigation costs are slightly lower when agricultural climate impacts are considered. Key contributing factors to these results are (a) low levels of climate change in the low-forcing scenarios, (b) adaptation to climate impacts, simulated in GCAM through inter-regional shifting in the production of agricultural goods, and (c) positive average climate impacts on bioenergy crop yields.

  5. Determine metrics and set targets for soil quality on agriculture residue and energy crop pathways

    SciTech Connect (OSTI)

    Ian Bonner; David Muth

    2013-09-01

    There are three objectives for this project: 1) support OBP in meeting MYPP stated performance goals for the Sustainability Platform, 2) develop integrated feedstock production system designs that increase total productivity of the land, decrease delivered feedstock cost to the conversion facilities, and increase environmental performance of the production system, and 3) deliver to the bioenergy community robust datasets and flexible analysis tools for establishing sustainable and viable use of agricultural residues and dedicated energy crops. The key project outcome to date has been the development and deployment of a sustainable agricultural residue removal decision support framework. The modeling framework has been used to produce a revised national assessment of sustainable residue removal potential. The national assessment datasets are being used to update national resource assessment supply curves using POLYSIS. The residue removal modeling framework has also been enhanced to support high fidelity sub-field scale sustainable removal analyses. The framework has been deployed through a web application and a mobile application. The mobile application is being used extensively in the field with industry, research, and USDA NRCS partners to support and validate sustainable residue removal decisions. The results detailed in this report have set targets for increasing soil sustainability by focusing on primary soil quality indicators (total organic carbon and erosion) in two agricultural residue management pathways and a dedicated energy crop pathway. The two residue pathway targets were set to, 1) increase residue removal by 50% while maintaining soil quality, and 2) increase soil quality by 5% as measured by Soil Management Assessment Framework indicators. The energy crop pathway was set to increase soil quality by 10% using these same indicators. To demonstrate the feasibility and impact of each of these targets, seven case studies spanning the US are presented. The analysis has shown that the feedstock production systems are capable of simultaneously increasing productivity and soil sustainability.

  6. Assessing the interactions among U.S. climate policy, biomass energy, and agricultural trade

    SciTech Connect (OSTI)

    Wise, Marshall A.; McJeon, Haewon C.; Calvin, Katherine V.; Clarke, Leon E.; Kyle, G. Page

    2014-09-01

    Energy from biomass is potentially an important contributor to U.S. climate change mitigation efforts. However, an important consideration to large-scale implementation of bioenergy is that the production of biomass competes with other uses of land. This includes traditionally economically productive uses, such as agriculture and forest products, as well as storage of carbon in forests and non-commercial lands. In addition, in the future, biomass may be more easily traded, meaning that increased U.S. reliance on bioenergy could come with it greater reliance on imported energy. Several approaches could be implemented to address these issues, including limits on U.S. biomass imports and protection of U.S. and global forests. This paper explores these dimensions of bioenergys role in U.S. climate policy and the relationship to these alternative measures for ameliorating the trade and land use consequences of bioenergy. It first demonstrates that widespread use of biomass in the U.S. could lead to imports; and it highlights that the relative stringency of domestic and international carbon mitigation policy will heavily influence the degree to which it is imported. Next, it demonstrates that while limiting biomass imports would prevent any reliance on other countries for this energy supply, it would most likely alter the balance of trade in other agricultural products against which biomass competes; for example, it might turn the U.S. from a corn exporter to a corn importer. Finally, it shows that increasing efforts to protect both U.S. and international forests could also affect the balance of trade in other agricultural products.

  7. Storing Carbon in Agricultural Soils to Help Head-Off Global Warming and to Combat Desertification

    SciTech Connect (OSTI)

    Rosenberg, Norman J.; Izaurralde, Roberto C.

    2001-12-31

    We know for sure that addition of organic matter to soil increases water-holding capacity, imparts fertility with the addition of nutrients, increases soil aggregation and improves tilth. Depeing on it's type, organic matter contains between 40 and 60% carbon. Using agricultural management practices to increase the amount of organic matter and carbon in soils can be an effective strategy to offset carbon dioxide emissions to the atmosphere as well as to improve the quality of the soil and slow or prevent desertification.

  8. Regional scale cropland carbon budgets: evaluating a geospatial agricultural modeling system using inventory data

    SciTech Connect (OSTI)

    Zhang, Xuesong; Izaurralde, Roberto C.; Manowitz, David H.; Sahajpal, Ritvik; West, Tristram O.; Thomson, Allison M.; Xu, Min; Zhao, Kaiguang; LeDuc, Stephen D.; Williams, Jimmy R.

    2015-01-01

    Accurate quantification and clear understanding of regional scale cropland carbon (C) cycling is critical for designing effective policies and management practices that can contribute toward stabilizing atmospheric CO2 concentrations. However, extrapolating site-scale observations to regional scales represents a major challenge confronting the agricultural modeling community. This study introduces a novel geospatial agricultural modeling system (GAMS) exploring the integration of the mechanistic Environmental Policy Integrated Climate model, spatially-resolved data, surveyed management data, and supercomputing functions for cropland C budgets estimates. This modeling system creates spatially-explicit modeling units at a spatial resolution consistent with remotely-sensed crop identification and assigns cropping systems to each of them by geo-referencing surveyed crop management information at the county or state level. A parallel computing algorithm was also developed to facilitate the computationally intensive model runs and output post-processing and visualization. We evaluated GAMS against National Agricultural Statistics Service (NASS) reported crop yields and inventory estimated county-scale cropland C budgets averaged over 20002008. We observed good overall agreement, with spatial correlation of 0.89, 0.90, 0.41, and 0.87, for crop yields, Net Primary Production (NPP), Soil Organic C (SOC) change, and Net Ecosystem Exchange (NEE), respectively. However, we also detected notable differences in the magnitude of NPP and NEE, as well as in the spatial pattern of SOC change. By performing crop-specific annual comparisons, we discuss possible explanations for the discrepancies between GAMS and the inventory method, such as data requirements, representation of agroecosystem processes, completeness and accuracy of crop management data, and accuracy of crop area representation. Based on these analyses, we further discuss strategies to improve GAMS by updating input data and by designing more efficient parallel computing capability to quantitatively assess errors associated with the simulation of C budget components. The modularized design of the GAMS makes it flexible to be updated and adapted for different agricultural models so long as they require similar input data, and to be linked with socio-economic models to understand the effectiveness and implications of diverse C management practices and policies.

  9. Soil chemical sensor and precision agricultural chemical delivery system and method

    DOE Patents [OSTI]

    Colburn, J.W. Jr.

    1991-07-23

    A real time soil chemical sensor and precision agricultural chemical delivery system includes a plurality of ground-engaging tools in association with individual soil sensors which measure soil chemical levels. The system includes the addition of a solvent which rapidly saturates the soil/tool interface to form a conductive solution of chemicals leached from the soil. A multivalent electrode, positioned within a multivalent frame of the ground-engaging tool, applies a voltage or impresses a current between the electrode and the tool frame. A real-time soil chemical sensor and controller senses the electrochemical reaction resulting from the application of the voltage or current to the leachate, measures it by resistivity methods, and compares it against pre-set resistivity levels for substances leached by the solvent. Still greater precision is obtained by calibrating for the secondary current impressed through solvent-less soil. The appropriate concentration is then found and the servo-controlled delivery system applies the appropriate amount of fertilizer or agricultural chemicals substantially in the location from which the soil measurement was taken. 5 figures.

  10. Argonne Terrestrial Carbon Cycle Data from Batavia Prairie and Agricultural Sites

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

    Matamala, Roser [ANL; Jastrow, Julie D.; Lesht, Barry [ANL; Cook, David [ANL; Pekour, Mikhail [ANL; Gonzalez-Meler, Miquel A. [University of Illinois at Chicago

    Carbon dioxide fluxes and stocks in terrestrial ecosystems are key measurements needed to constrain quantification of regional carbon sinks and sources and the mechanisms controlling them. This information is required to produce a sound carbon budget for North America. This project examines CO2 and energy fluxes from agricultural land and from restored tallgrass prairie to compare their carbon sequestration potentials. The study integrates eddy covariance measurements with biometric measurements of plant and soil carbon stocks for two systems in northeastern Illinois: 1) long-term cultivated land in corn-soybean rotation with conventional tillage, and 2) a 15 year-old restored prairie that represents a long-term application of CRP conversion of cultivated land to native vegetation. The study contributes to the North American Carbon Program (NACP) by providing information on the magnitude and distribution of carbon stocks and the processes that control carbon dynamics in cultivated and CRP-restored land in the Midwest. The prairie site has been functioning since October 2004 and the agricultural site since July 2005. (From http://www.atmos.anl.gov/ FERMI/index.html)

  11. Soil chemical sensor and precision agricultural chemical delivery system and method

    DOE Patents [OSTI]

    Colburn, Jr., John W. (Houston, TX)

    1991-01-01

    A real time soil chemical sensor and precision agricultural chemical delivery system includes a plurality of ground-engaging tools in association with individual soil sensors which measure soil chemical levels. The system includes the addition of a solvent which rapidly saturates the soil/tool interface to form a conductive solution of chemicals leached from the soil. A multivalent electrode, positioned within a multivalent frame of the ground-engaging tool, applies a voltage or impresses a current between the electrode and the tool frame. A real-time soil chemical sensor and controller senses the electrochemical reaction resulting from the application of the voltage or current to the leachate, measures it by resistivity methods, and compares it against pre-set resistivity levels for substances leached by the solvent. Still greater precision is obtained by calibrating for the secondary current impressed through solvent-less soil. The appropriate concentration is then found and the servo-controlled delivery system applies the appropriate amount of fertilizer or agricultural chemicals substantially in the location from which the soil measurement was taken.

  12. Economic and environmental impacts of the corn grain ethanol industry on the United States agricultural sector

    SciTech Connect (OSTI)

    Larson, J.A.; English, B.C.; De La Torre Ugarte, D. G.; Menard, R.J.; Hellwinckel, C.M.; West, Tristram O.

    2010-09-10

    This study evaluated the impacts of increased ethanol production from corn starch on agricultural land use and the environment in the United States. The Policy Analysis System simulation model was used to simulate alternative ethanol production scenarios for 2007 through 2016. Results indicate that increased corn ethanol production had a positive effect on net farm income and economic wellbeing of the US agricultural sector. In addition, government payments to farmers were reduced because of higher commodity prices and enhanced net farm income. Results also indicate that if Conservation Reserve Program land was converted to crop production in response to higher demand for ethanol in the simulation, individual farmers planted more land in crops, including corn. With a larger total US land area in crops due to individual farmer cropping choices, total US crop output rose, which decreased crop prices and aggregate net farm income relative to the scenario where increased ethanol production happened without Conservation Reserve Program land. Substantial shifts in land use occurred with corn area expanding throughout the United States, especially in the traditional corn-growing area of the midcontinent region.

  13. Barley seedling growth in soils amended with fly ash or agricultural lime followed by acidification

    SciTech Connect (OSTI)

    Renken, R.R.; McCallister, D.L.; Tarkalson, D.D.; Hergert, G.W.; Marx, D.B.

    2006-05-15

    Calcium-rich coal combustion fly ash can be used as an amendment to neutralize soil acidity because of its oxides and carbonate content, but its aluminum content could inhibit plant growth if soil pH values fall below optimal agronomic levels. This study measured root and shoot growth of an acid-sensitive barley (Hordeum vulgare L. 'Kearney') grown in the greenhouse on three naturally acid soils. The soils were either untreated or amended with various liming materials (dry fly ash, wet fly ash, and agricultural lime) at application rates of 0, .5, 1, and 1.5 times the recommended lime requirement, then treated with dilute acid solutions to simulate management-induced acidification. Plant growth indexes were measured at 30 days after planting. Root mass per plant and root length per plant were greater for the limed treatments than in the acidified check. Root growth in the limed treatments did not differ from root growth in the original nonacidified soils. Top mass per plant in all limed soils was either larger than or not different from that in the original nonacidified soils. Based on top mass per plant, no liming material or application rate was clearly superior. Both fly ash and agricultural lime reduced the impact of subsequent acidification on young barley plants. Detrimental effects of aluminum release on plant growth were not observed. Calcium-rich fly ash at agronomic rates is an acceptable acid-neutralizing material with no apparent negative effects.

  14. Kelly Hot Spring Geothermal Project: Kelly Hot Spring Agricultural Center preliminary design. Final technical report

    SciTech Connect (OSTI)

    Longyear, A.B.

    1980-08-01

    A Phase 1 Preliminary Design, Construction Planning and Economic Analysis has been conducted for the Kelly Hot Spring Agricultural Center in Modoc County, California. The core activity is a 1360 breeding sow, swine raising complex that utilizes direct heat energy from the Kelly Hot Spring geothermal resource. The swine is to be a totally confined operation for producing premium pork in controlled-environment facilities. The complex contains a feed mill, swine raising buildings and a complete waste management facility that produces methane gas to be delivered to a utility company for the production of electricity. The complex produces 6.7 million pounds of live pork (29,353 animals) shipped to slaughter per year; 105,000 cu. ft. of scrubbed methane per day; and fertilizer. Total effluent is less than 200 gpm of agricultural quality-water with full odor control. The methane production rate made possible with geothermal direct heat is equivalent to at least 400 kw continuous. Sale of the methane on a co-generation basis is being discussed with the utility company. The use of geothermal direct heat energy in the complex displaces nearly 350,000 gallons of fuel oil per year. Generation of the biogas displaces an additional 300,000 gallons of fuel oil per year.

  15. Natural succession impeded by smooth brome (Bromus inermis) and intermediate wheatgrass (Agropyron intermedium) in an abandoned agricultural field

    SciTech Connect (OSTI)

    Nelson, J.K.

    1997-11-01

    In 1975, an abandoned agricultural field at Rocky Flats Environmental Technology Site (Site) that had been cultivated for more than 38 years, was seeded with smooth brome (Bromus inermis) and intermediate wheatgrass (Agropyron intermedium). Although these species are commonly planted in reclamation and roadside seed mixtures, few studies have documented their impact on the re-establishment of native plant communities. In 1994, species richness, cover, and biomass were sampled in the agricultural field and compared to the surrounding mixed-grass prairie at the Site. The agricultural field contained only 61 plant species (62% native), compared to 143 species (81% native) in the surrounding mixed-grass prairie. Community similarity based on species presence/absence was 0.47 (Sorensen coefficient of similarity). Basal vegetative cover was 11.2% in the agricultural field and 29.1% in the mixed-grass prairie. Smooth brome and intermediate wheatgrass accounted for 93% of the relative foliar cover and 96% of the biomass in the agricultural field. The aggressive nature of these two planted species has impeded the natural succession of the agricultural field to a more native prairie community. Studies of natural succession on abandoned fields and roads in northeastern Colorado have indicated that if left alone, fields would return to their native climax state in approximately 50 years and would be approaching their native state after 20--25 years. Based on the results of this study, this agricultural field may take more than 100 years to return to a native mixed-grass prairie state and it may never achieve a native state without human intervention.

  16. A comparative ab initio study of superconductivity in the body centered tetragonal YC{sub 2} and LaC{sub 2}

    SciTech Connect (OSTI)

    Ttnc, H. M.; Srivastava, G. P.

    2015-04-21

    Ab initio studies of the electronic band structure and phonon dispersion relations, using the planewave pseudopotential method and the density functional theory, have been made for the superconducting materials YC{sub 2} and LaC{sub 2}. Differences in the phonon spectrum and density of states both in the acoustical and optical ranges between these materials are investigated and discussed. By integrating the Eliashberg spectral function ?{sup 2}F(?), the average electron-phonon coupling parameter is found to be ??=?0.55 for YC{sub 2} and 0.54 for LaC{sub 2}, indicating these to be weak-coupling BCS superconductors. It is established that about 60% of ? is contributed by acoustic phonons in both materials. Using a reasonable value of ?{sup *?}=?0.13 for the effective Coulomb repulsion parameter, the superconducting critical temperature T{sub c} is found to be 3.81?K for YC{sub 2} and 2.44?K for LaC{sub 2}, in good agreement with values reported from experimental measurements.

  17. Simulations of the quart (101-bar1)/water interface: A comparison of classical force fields, ab initi molecular dynamics, and x-ray reflectivity experiments.

    SciTech Connect (OSTI)

    Skelton, Adam; Fenter, Paul; Kubicki, James D.; Wesolowski, David J; Cummings, Peter T

    2011-01-01

    Classical molecular dynamics (CMD) simulations of the (1011) surface of quartz interacting with bulk liquid water are performed using three different classical force fields, Lopes et al., ClayFF, and CHARMM water contact angle (CWCA), and compared to ab initio molecular dynamics (AIMD) and X-ray reflectivity (XR) results. The axial densities of the water and surface atoms normal to the surface are calculated and compared to previous XR experiments. Favorable agreement is shown for all the force fields with respect to the position of the water atoms. Analyses such as the radial distribution functions between water and hydroxyl atoms and the average cosine of the angle between the water dipole vector and the normal of the surface are also calculated for each force field. Significant differences are found between the different force fields from such analyses, indicating differing descriptions of the structured water in the near vicinity of the surface. AIMD simulations are also performed to obtain the water and hydroxyl structure for comparison among the predictions of the three classical force fields to better understand which force field is most accurate. It is shown that ClayFF exhibits the best agreement with the AIMD simulations for water hydroxyl radial distribution functions, suggesting that ClayFF treats the hydrogen bonding more accurately.

  18. AB INITIO EQUATIONS OF STATE FOR HYDROGEN (H-REOS.3) AND HELIUM (He-REOS.3) AND THEIR IMPLICATIONS FOR THE INTERIOR OF BROWN DWARFS

    SciTech Connect (OSTI)

    Becker, Andreas; Lorenzen, Winfried; Schttler, Manuel; Redmer, Ronald; Fortney, Jonathan J.; Nettelmann, Nadine

    2015-01-01

    We present new equations of state (EOSs) for hydrogen and helium covering a wide range of temperatures from 60 K to 10{sup 7} K and densities from 10{sup 10} g cm{sup 3} to 10{sup 3} g cm{sup 3}. They include an extended set of ab initio EOS data for the strongly correlated quantum regime with an accurate connection to data derived from other approaches for the neighboring regions. We compare linear mixing isotherms based on our EOS tables with available real mixture data. A first important astrophysical application of this new EOS data is the calculation of interior models for Jupiter and comparison with recent results. Second, mass-radius relations are calculated for Brown Dwarfs (BDs) which we compare with predictions derived from the widely used EOS of Saumon, Chabrier, and van Horn. Furthermore, we calculate interior models for typical BDs with different masses, namely, Corot-3b, Gliese-229b, and Corot-15b, and the giant planet KOI-889b. The predictions for the central pressures and densities differ by up to 10% dependent on the EOS used. Our EOS tables are made available in the supplemental material of this paper.

  19. Ab Initio Simulation of Charge Transfer at the Semiconductor Quantum Dot/TiO 2 Interface in Quantum Dot-Sensitized Solar Cells

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

    Xin, Xukai; Li, Bo; Jung, Jaehan; Yoon, Young Jun; Biswas, Rana; Lin, Zhiqun

    2014-07-24

    Quantum dot-sensitized solar cells (QDSSCs) have emerged as a promising solar architecture for next-generation solar cells. The QDSSCs exhibit a remarkably fast electron transfer from the quantum dot (QD) donor to the TiO2 acceptor with size quantization properties of QDs that allows for the modulation of band energies to control photoresponse and photoconversion efficiency of solar cells. In order to understand the mechanisms that underpin this rapid charge transfer, the electronic properties of CdSe and PbSe QDs with different sizes on the TiO2 substrate are simulated using a rigorous ab initio density functional method. Our method capitalizes on localized orbitalmore » basis set, which is computationally less intensive. Quite intriguingly, a remarkable set of electron bridging states between QDs and TiO2 occurring via the strong bonding between the conduction bands of QDs and TiO2 is revealed. Such bridging states account for the fast adiabatic charge transfer from the QD donor to the TiO2 acceptor, and may be a general feature for strongly coupled donor/acceptor systems. All the QDs/TiO2 systems exhibit type II band alignments, with conduction band offsets that increase with the decrease in QD size. This facilitates the charge transfer from QDs donors to TiO2 acceptors and explains the dependence of the increased charge transfer rate with the decreased QD size.« less

  20. Ab initio study on the effect of structural relaxation on the electronic and optical properties of P-doped Si nanocrystals

    SciTech Connect (OSTI)

    Pi, Xiaodong; Ni, Zhenyi; Yang, Deren E-mail: christophe.delerue@isen.fr; Delerue, Christophe E-mail: christophe.delerue@isen.fr

    2014-11-21

    In contrast to the conventional doping of bulk silicon (Si), the doping of Si nanocrystals (NCs) that are often smaller than 5 nm in diameter may lead to serious structural changes. Since the electronic and optical properties of Si NCs are intimately associated with their structures, it is critical to understand how doping impacts the structures of Si NCs. By means of ab initio calculation we now compare 1.4 nm phosphorus (P)-doped Si NCs without structural relaxation and those with structural relaxation. Structural changes induced by structural relaxation are manifested by the stretching and compressing of bonds and apparent variations in bond angles. With the increase of the concentration of P structural changes induced by structural relaxation become more serious. It is found that structural relaxation makes differences in the energy-level schemes of P-doped Si NCs. Structural relaxation also causes the binding energy of an electron in a P-doped Si NC to more significantly increase as the concentration of P increases. With the increase of the concentration of P structural relaxation leads to more pronounced changes in the optical absorption of P-doped Si NCs.

  1. WEATHER ON THE NEAREST BROWN DWARFS: RESOLVED SIMULTANEOUS MULTI-WAVELENGTH VARIABILITY MONITORING OF WISE J104915.57531906.1AB

    SciTech Connect (OSTI)

    Biller, Beth A.; Crossfield, Ian J. M.; Mancini, Luigi; Ciceri, Simona; Kopytova, Taisiya G.; Bonnefoy, Mickal; Deacon, Niall R.; Schlieder, Joshua E.; Buenzli, Esther; Brandner, Wolfgang; Bailer-Jones, Coryn A. L.; Henning, Thomas; Goldman, Bertrand; Southworth, John; Allard, France; Homeier, Derek; Freytag, Bernd; Greiner, Jochen

    2013-11-20

    We present two epochs of MPG/ESO 2.2m GROND simultaneous six-band (r'i'z' JHK) photometric monitoring of the closest known L/T transition brown dwarf binary WISE J104915.57531906.1AB. We report here the first resolved variability monitoring of both the T0.5 and L7.5 components. We obtained 4 hr of focused observations on the night of 2013 April 22 (UT), as well as 4 hr of defocused (unresolved) observations on the night of 2013 April 16 (UT). We note a number of robust trends in our light curves. The r' and i' light curves appear to be anti-correlated with z' and H for the T0.5 component and in the unresolved light curve. In the defocused dataset, J appears correlated with z' and H and anti-correlated with r' and i', while in the focused dataset we measure no variability for J at the level of our photometric precision, likely due to evolving weather phenomena. In our focused T0.5 component light curve, the K band light curve displays a significant phase offset relative to both H and z'. We argue that the measured phase offsets are correlated with atmospheric pressure probed at each band, as estimated from one-dimensional atmospheric models. We also report low-amplitude variability in i' and z' intrinsic to the L7.5 component.

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

    SciTech Connect (OSTI)

    Gaenko, Alexander; DeFusco, Albert; Varganov, Sergey A.; Martnez, 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 excitation 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 ~60200 fs. As a result, these short lifetimes are in agreement with time-resolved photoionization mass spectroscopy experiments.

  3. Ab initio molecular dynamics simulations of short-range order in Zr50Cu45Al5 and Cu50Zr45Al5 metallic glasses

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

    Huang, Yuxiang; Huang, Li; Wang, C. Z.; Kramer, M. J.; Ho, K. M.

    2016-02-01

    In this study, comparative analysis between Zr-rich Zr50Cu45Al5 and Cu-rich Cu50Zr45Al5 metallic glasses (MGs) is extensively performed to locate the key structural motifs accounting for their difference of glass forming ability. Here we adopt ab initio molecular dynamics simulations to investigate the local atomic structures of Zr50Cu45Al5 and Cu50Zr45Al5 MGs. A high content of icosahedral-related (full and distorted) orders was found in both samples, while in the Zr-rich MG full icosahedrons <0,0,12,0> is dominant, and in the Cu-rich one the distorted icosahedral orders, especially <0,2,8,2> and <0,2,8,1>, are prominent. And the <0,2,8,2> polyhedra in Cu50Zr45Al5 MG mainly originate from Al-centeredmore » clusters, while the <0,0,12,0> in Zr50Cu45Al5 derives from both Cu-centered clusters and Al-centered clusters. These difference may be ascribed to the atomic size difference and chemical property between Cu and Zr atoms. The relatively large size of Zr and large negative heat of mixing between Zr and Al atoms, enhancing the packing density and stability of metallic glass system, may be responsible for the higher glass forming ability of Zr50Cu45Al5.« less

  4. SOLERAS - Solar Controlled Environment Agriculture Project. Final report, Volume 5. Science Applications, Incorporated system requirements definition

    SciTech Connect (OSTI)

    Not Available

    1985-01-01

    This report sets forth the system requirements for a Solar Controlled-Environment Agriculture System (SCEAS) Project. In the report a conceptual baseline system description for an engineering test facility is given. This baseline system employs a fluid roof/roof filter in combination with a large storage tank and a ground water heat exchanger in order to provide cooling and heating as needed. Desalination is accomplished by pretreatment followed by reverse osmosis. Energy is provided by means of photovoltaics and wind machines in conjunction with storage batteries. Site and climatic data needed in the design process are given. System performance specifications and integrated system design criteria are set forth. Detailed subsystem design criteria are presented and appropriate references documented.

  5. Global and regional potential for bioenergy from agricultural and forestry residue biomass

    SciTech Connect (OSTI)

    Gregg, Jay S.; Smith, Steven J.

    2010-02-11

    As co-products, agricultural and forestry residues represent a potential low cost, low carbon, source for bioenergy. A method is developed method for estimating the maximum sustainable amount of energy potentially available from agricultural and forestry residues by converting crop production statistics into associated residue, while allocating some of this resource to remain on the field to mitigate erosion and maintain soil nutrients. Currently, we estimate that the world produces residue biomass that could be sustainably harvested and converted into over 50 EJ yr-1 of energy. The top three countries where this resource is estimated to be most abundant are currently net energy importers: China, the United States (US), and India. The global potential from residue biomass is estimated to increase to approximately 80-95 EJ yr-1 by mid- to late- century, depending on physical assumptions such as of future crop yields and the amount of residue sustainably harvestable. The future market for biomass residues was simulated using the Object-Oriented Energy, Climate, and Technology Systems Mini Climate Assessment Model (ObjECTS MiniCAM). Utilization of residue biomass as an energy source is projected for the next century under different climate policy scenarios. Total global use of residue biomass is estimated to increase to 70-100 EJ yr-1 by mid- to late- century in a central case, depending on the presence of a climate policy and the economics of harvesting, aggregating, and transporting residue. Much of this potential is in developing regions of the world, including China, Latin America, Southeast Asia, and India.

  6. Evaluation of the potential for agricultural development at the Hanford Site

    SciTech Connect (OSTI)

    RG Evans; MJ Hattendorf; CT Kincaid

    2000-02-25

    By 2050, when cleanup of the Hanford Site is expected to be completed, large worldwide demands to increase the global production of animalhlish protein, food, and fiber are anticipated, despite advancements in crop breeding, genetic engineering, and other technologies. World population is projected to double to more than 12 billion people, straining already stressed worldwide agricultural resources. The current world surpluses in many commodities will not last when faced with increasing population, decreasing ocean fisheries, and rapid loss of productive lands from soil salivation and erosion. The production of pharmaceuticals from bioengineered plants and animals will undoubtedly add more pressure on the already limited (and declining) arable land base. In addition there will be pressure to produce crops that can help reduce the world's dependence on petroleum and be used for chemical plant feedstock. These external, formidable pressures will necessitate increasing investments in irrigation infi-a-structures in many areas of the world to increase productivity. Intensive greenhouse culture and aqua-culture also will be greatly expanded. There will be large economic and social pressures to expand production in areas such as the Pacific Northwest. Agricultural exports will continue to be important The most likely large areas for expanded irrigation in the Pacific Northwest are the undeveloped East High areas of the Columbia Basin Project and non-restricted areas within the Hanford Site in south-central Washington State. Both of these are potentially highly productive area: for producing food and export capital. The environmental concerns will be large however, the favorable growing conditions, high-quality (low-salinity) abundant water supplies and minimal problems with salivation of soils make the Pacific Northwest a very desirable region for economically sustainable expansion from a world perspective.

  7. Review and analysis of parameters for assessing transport of environmentally released radionuclides through agriculture

    SciTech Connect (OSTI)

    Baes, C.F. III; Sharp, R.D.; Sjoreen, A.L.; Shor, R.W.

    1984-09-01

    Most of the default parameters incorporated into the TERRA computer code are documented including a literature review and systematic analysis of element-specific transfer parameters B/sub v/, B/sub r/, F/sub m/, F/sub f/, and K/sub d/. This review and analysis suggests default values which are consistent with the modeling approaches taken in TERRA and may be acceptable for most assessment applications of the computer code. However, particular applications of the code and additional analysis of elemental transport may require alternative default values. Use of the values reported herein in other computer codes simulating terrestrial transport is not advised without careful interpretation of the limitations and scope these analyses. An approach to determination of vegetation-specific interception fractions is also discussed. The limitations of this approach are many, and its use indicates the need for analysis of deposition, interception, and weathering processes. Judgement must be exercised in interpretation of plant surface concentrations generated. Finally, the location-specific agricultural, climatological, and population parameters in the default SITE data base documented. These parameters are intended as alternatives to average values currently used. Indeed, areas in the United States where intensive crop, milk, or beef production occurs will be reflected in the parameter values as will areas where little agricultural activity occurs. However, the original information sources contained some small error and the interpolation and conversion methods used will add more. Parameters used in TERRA not discussed herein are discussed in the companion report to this one - ORNL-5785. In the companion report the models employed in and the coding of TERRA are discussed. These reports together provide documentation of the TERRA code and its use in assessments. 96 references, 78 figures, 21 tables.

  8. Enviva Materials LLC | Open Energy Information

    Open Energy Info (EERE)

    LLC Place: Richmond, Virginia Zip: 23219 Sector: Biomass Product: Recovering of agricultural, forestry and industrial byproducts in order to supply the biomass power industry....

  9. Ab Initio Simulation of Charge Transfer at the Semiconductor Quantum Dot/TiO 2 Interface in Quantum Dot-Sensitized Solar Cells

    SciTech Connect (OSTI)

    Xin, Xukai; Li, Bo; Jung, Jaehan; Yoon, Young Jun; Biswas, Rana; Lin, Zhiqun

    2014-07-24

    Quantum dot-sensitized solar cells (QDSSCs) have emerged as a promising solar architecture for next-generation solar cells. The QDSSCs exhibit a remarkably fast electron transfer from the quantum dot (QD) donor to the TiO2 acceptor with size quantization properties of QDs that allows for the modulation of band energies to control photoresponse and photoconversion efficiency of solar cells. In order to understand the mechanisms that underpin this rapid charge transfer, the electronic properties of CdSe and PbSe QDs with different sizes on the TiO2 substrate are simulated using a rigorous ab initio density functional method. Our method capitalizes on localized orbital basis set, which is computationally less intensive. Quite intriguingly, a remarkable set of electron bridging states between QDs and TiO2 occurring via the strong bonding between the conduction bands of QDs and TiO2 is revealed. Such bridging states account for the fast adiabatic charge transfer from the QD donor to the TiO2 acceptor, and may be a general feature for strongly coupled donor/acceptor systems. All the QDs/TiO2 systems exhibit type II band alignments, with conduction band offsets that increase with the decrease in QD size. This facilitates the charge transfer from QDs donors to TiO2 acceptors and explains the dependence of the increased charge transfer rate with the decreased QD size.

  10. Proton transfer through hydrogen bonds in two-dimensional water layers: A theoretical study based on ab initio and quantum-classical simulations

    SciTech Connect (OSTI)

    Bankura, Arindam; Chandra, Amalendu

    2015-01-28

    The dynamics of proton transfer (PT) through hydrogen bonds in a two-dimensional water layer confined between two graphene sheets at room temperature are investigated through ab initio and quantum-classical simulations. The excess proton is found to be mostly solvated as an Eigen cation where the hydronium ion donates three hydrogen bonds to the neighboring water molecules. In the solvation shell of the hydronium ion, the three coordinated water molecules with two donor hydrogen bonds are found to be properly presolvated to accept a proton. Although no hydrogen bond needs to be broken for transfer of a proton to such presolvated water molecules from the hydronium ion, the PT rate is still found to be not as fast as it is for one-dimensional chains. Here, the PT is slowed down as the probability of finding a water with two donor hydrogen bonds in the solvation shell of the hydronium ion is found to be only 25%-30%. The hydroxide ion is found to be solvated mainly as a complex anion where it accepts four H-bonds through its oxygen atom and the hydrogen atom of the hydroxide ion remains free all the time. Here, the presolvation of the hydroxide ion to accept a proton requires that one of its hydrogen bonds is broken and the proton comes from a neighboring water molecule with two acceptor and one donor hydrogen bonds. The coordination number reduction by breaking of a hydrogen bond is a slow process, and also the population of water molecules with two acceptor and one donor hydrogen bonds is only 20%-25% of the total number of water molecules. All these factors together tend to slow down the hydroxide ion migration rate in two-dimensional water layers compared to that in three-dimensional bulk water.

  11. SOLERAS - Solar Controlled Environment Agriculture Project. Final report, Volume 4. Saudi Engineering Solar Energy Applications System Design Study

    SciTech Connect (OSTI)

    Not Available

    1985-01-01

    Literature summarizing a study on the Saudi Arabian solar controlled environment agriculture system is presented. Specifications and performance requirements for the system components are revealed. Detailed performance and cost analyses are used to determine the optimum design. A preliminary design of an engineering field test is included. Some weather data are provided for Riyadh, Saudi Arabia. (BCS)

  12. Developing an Integrated Model Framework for the Assessment of Sustainable Agricultural Residue Removal Limits for Bioenergy Systems

    SciTech Connect (OSTI)

    David Muth, Jr.; Jared Abodeely; Richard Nelson; Douglas McCorkle; Joshua Koch; Kenneth Bryden

    2011-08-01

    Agricultural residues have significant potential as a feedstock for bioenergy production, but removing these residues can have negative impacts on soil health. Models and datasets that can support decisions about sustainable agricultural residue removal are available; however, no tools currently exist capable of simultaneously addressing all environmental factors that can limit availability of residue. The VE-Suite model integration framework has been used to couple a set of environmental process models to support agricultural residue removal decisions. The RUSLE2, WEPS, and Soil Conditioning Index models have been integrated. A disparate set of databases providing the soils, climate, and management practice data required to run these models have also been integrated. The integrated system has been demonstrated for two example cases. First, an assessment using high spatial fidelity crop yield data has been run for a single farm. This analysis shows the significant variance in sustainably accessible residue across a single farm and crop year. A second example is an aggregate assessment of agricultural residues available in the state of Iowa. This implementation of the integrated systems model demonstrates the capability to run a vast range of scenarios required to represent a large geographic region.

  13. 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

  14. Scholten_abs_2012.pdf

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

    such as causality, relating the real and imaginary parts through a causal dispersion relation, and unitarity. In addition low-energy theorems should be obeyed at...

  15. Suncore AB | Open Energy Information

    Open Energy Info (EERE)

    Zip: 912 32 Sector: Solar Product: Developing a polymer-based solar thermal collector for water heating, intended to reduce the materials cost of solar passive systems. References:...

  16. Agricultural approaches of remediation in the outside of the Fukushima Daiichi nuclear power plant

    SciTech Connect (OSTI)

    Sato, Nobuaki; Saso, Michitaka; Umeda, Miki; Fujii, Yasuhiko; Amemiya, Kiyoshi

    2013-07-01

    This paper outlines agricultural approaches of remediation activity done in contaminated areas around the Fukushima Daiichi Nuclear Power Plant. About the decontamination examination of contaminated areas, we have tried the land scale test of a rice field before and after planting by the use of currently recommended methods. Since farmers would carry out the land preparation by themselves, generation of secondary radioactive waste should be as low as possible through the decontamination works. For the radioactive nuclide migration control of rice by wet rice production, several types of decontamination methods such as zeolite addition and potassium fertilization in the soil have been examined. The results are summarized in the 4 following points. 1) Plowing and water discharge are effective for removing radioactive cesium from rice field. 2) Additional potassium fertilization is effective for reducing cesium radioactivity in the product. 3) No significant difference is observed with or without the zeolite addition. 4) Very low transfer factor of cesium from soil to brown rice has been obtained compared with literature values.

  17. Could crop height affect the wind resource at agriculturally productive wind farm sites?

    SciTech Connect (OSTI)

    Vanderwende, Brian; Lundquist, Julie K.

    2015-11-07

    The collocation of cropland and wind turbines in the US Midwest region introduces complex meteorological interactions that could influence both agriculture and wind-power production. Crop management practices may affect the wind resource through alterations of land-surface properties. We use the weather research and forecasting (WRF) model to estimate the impact of crop height variations on the wind resource in the presence of a large turbine array. A hypothetical wind farm consisting of 121 1.8-MW turbines is represented using the WRF model wind-farm parametrization. We represent the impact of selecting soybeans rather than maize by altering the aerodynamic roughness length in a region approximately 65 times larger than that occupied by the turbine array. Roughness lengths of 0.1 and 0.25 m represent the mature soy crop and a mature maize crop, respectively. In all but the most stable atmospheric conditions, statistically significant hub-height wind-speed increases and rotor-layer wind-shear reductions result from switching from maize to soybeans. Based on simulations for the entire month of August 2013, wind-farm energy output increases by 14 %, which would yield a significant monetary gain. Further investigation is required to determine the optimal size, shape, and crop height of the roughness modification to maximize the economic benefit and minimize the cost of such crop-management practices. As a result, these considerations must be balanced by other influences on crop choice such as soil requirements and commodity prices.

  18. WETTABILITY ALTERATION OF CARBONATE ROCK MEDIATED BY BIOSURFACTANT PRODUCED FROM HIGH-STARCH AGRICULTURAL EFFLUENTS

    SciTech Connect (OSTI)

    Mehdi Salehi; Stephen Johnson; Gregory Bala; Jenn-Tai Liang

    2006-09-01

    Surfactants can be used to alter wettability of reservoir rock, increasing spontaneous imbibition and thus improving oil yields. Commercial synthetic surfactants are often prohibitively expensive and so a crude preparation of the anionic biosurfactant, surfactin, from Bacillus subtilis grown on high-starch industrial and agricultural effluents has been proposed as an economical alternative. To assess the effectiveness of the surfactin, it is compared to commercially available surfactants. In selecting a suitable benchmark surfactant, two metrics are examined: the ability of the surfactants to alter wettability at low concentrations, and the degree to which they are absorbed onto reservoir matrix. We review the literature to survey the adsorption models that have been developed to describe surfactant adsorption in porous media. These models are evaluated using the experimental data from this study. Crushed carbonate rock samples are cleaned and aged in crude oil. The wettability change mediated by dilute solutions of commercial anionic surfactants and surfactin is assessed using a two-phase separation; and surfactant loss due to retention and adsorption the rock is determined.

  19. Knowledge Integration to Make Decisions About Complex Systems: Sustainability of Energy Production from Agriculture

    ScienceCinema (OSTI)

    Danuso, Francesco [University of Udine, Italy

    2010-01-08

    A major bottleneck for improving the governance of complex systems, rely on our ability to integrate different forms of knowledge into a decision support system (DSS). Preliminary aspects are the classification of different types of knowledge (a priori or general, a posteriori or specific, with uncertainty, numerical, textual, algorithmic, complete/incomplete, etc.), the definition of ontologies for knowledge management and the availability of proper tools like continuous simulation models, event driven models, statistical approaches, computational methods (neural networks, evolutionary optimization, rule based systems etc.) and procedure for textual documentation. Following these views at University of Udine, a computer language (SEMoLa, Simple, Easy Modelling Language) for knowledge integration has been developed.  SEMoLa can handle models, data, metadata and textual knowledge; it implements and extends the system dynamics ontology (Forrester, 1968; Jørgensen, 1994) in which systems are modelled by the concepts of material, group, state, rate, parameter, internal and external events and driving variables. As an example, a SEMoLa model to improve management and sustainability (economical, energetic, environmental) of the agricultural farms is presented. The model (X-Farm) simulates a farm in which cereal and forage yield, oil seeds, milk, calves and wastes can be sold or reused. X-Farm is composed by integrated modules describing fields (crop and soil), feeds and materials storage, machinery management, manpower  management, animal husbandry, economic and energetic balances, seed oil extraction, manure and wastes management, biogas production from animal wastes and biomasses.

  20. Energy-conserving perennial agriculture for marginal land in southern Appalachia. Final technical report

    SciTech Connect (OSTI)

    Williams, G.

    1982-01-30

    USDA economists predict the end of surplus farm production in the US within this decade. More and more marginal land will be cropped to provide feed for the growing world population and to produce energy. Much of this potential cropland in Southern Appalachia is poorly suited to annual crops, such as corn. Perennial crops are much better suited to steep, rocky, and wet sites. Research was undertaken on the theoretical potentials of perennial species with high predicted yields of protein, carbohydrates, or oils. Several candidate staple perennial crops for marginal land in Southern Appalachia were identified, and estimates were made of their yields, energy input requirements, and general suitabilities. Cropping systems incorporating honeylocust, persimmon, mulberry, jujube, and beech were compared with corn cropping systems. It appears that these candidate staple perennials show distinct advantages for energy conservation and environmental preservation. Detailed economic analyses must await actual demonstration trials, but preliminary indications for ethanol conversion systems with honeylocust are encouraging. It is suggested that short-term loans to farmers undertaking this new type of agriculture would be appropriate to solve cash-flow problems.

  1. 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.

  2. Could crop height affect the wind resource at agriculturally productive wind farm sites?

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

    Vanderwende, Brian; Lundquist, Julie K.

    2015-11-07

    The collocation of cropland and wind turbines in the US Midwest region introduces complex meteorological interactions that could influence both agriculture and wind-power production. Crop management practices may affect the wind resource through alterations of land-surface properties. We use the weather research and forecasting (WRF) model to estimate the impact of crop height variations on the wind resource in the presence of a large turbine array. A hypothetical wind farm consisting of 121 1.8-MW turbines is represented using the WRF model wind-farm parametrization. We represent the impact of selecting soybeans rather than maize by altering the aerodynamic roughness length inmore » a region approximately 65 times larger than that occupied by the turbine array. Roughness lengths of 0.1 and 0.25 m represent the mature soy crop and a mature maize crop, respectively. In all but the most stable atmospheric conditions, statistically significant hub-height wind-speed increases and rotor-layer wind-shear reductions result from switching from maize to soybeans. Based on simulations for the entire month of August 2013, wind-farm energy output increases by 14 %, which would yield a significant monetary gain. Further investigation is required to determine the optimal size, shape, and crop height of the roughness modification to maximize the economic benefit and minimize the cost of such crop-management practices. As a result, these considerations must be balanced by other influences on crop choice such as soil requirements and commodity prices.« less

  3. Evaluating atmospheric CO2 inversions at multiple scales over a highly-inventoried agricultural landscape.

    SciTech Connect (OSTI)

    Schuh, Andrew E.; Lauvaux, Thomas; West, Tristram O.; Denning, A.; Davis, Kenneth J.; Miles, Natasha; Richardson, S. J.; Uliasz, Marek; Lokupitiya, Erandathie; Cooley, Dan; Andrews, Arlyn; Ogle, Stephen

    2013-05-01

    An intensive regional research campaign was conducted by the North American Carbon Program (NACP) in 2005 to study the carbon cycle of the highly productive agricultural regions of the Midwestern United States. Forty-_ve di_erent associated projects were spawned across _ve U.S. agencies over the course of nearly a decade involving hundreds of researchers. The primary objective of the project was to investigate the ability of atmospheric inversion techniques to use highly calibrated CO2 mixing ratio data to estimate CO2 exchange over the major croplands of the U.S. Statistics from densely monitored crop production, consisting primarily corn and soybeans, provided the backbone of a well-studied\\bottom up"flux estimate that was used to evaluate the atmospheric inversion results. Three different inversion systems, representing spatial scales varying from high resolution mesoscale, to continental, to global, coupled to different transport models and optimization techniques were compared to the bottom up" inventory estimates. The mean annual CO2-C sink for 2007 from the inversion systems ranged from 120 TgC to 170 TgC, when viewed across a wide variety of inversion setups, with the best" point estimates ranging from 145 TgC to 155 TgC. Inversion-based mean C sink estimates were generally slightly stronger, but statistically indistinguishable,from the inventory estimate whose mean C sink was 135 TgC. The inversion results showed temporal correlations at seasonal lengths while week to week correlations remained low. Comparisons were made between atmospheric transport yields of the two regional inversion systems, which despite having different influence footprints in space and time due to differences in underlying transport models and external forcings, showed similarity when aggregated in space and time.

  4. Anaerobic fermentation of agricultural residue: potential for improvement and implementation. Final report, Volume II

    SciTech Connect (OSTI)

    Jewell, W. J.; Dell'orto, S.; Fanfoni, K. J.; Hayes, T. D.; Leuschner, A. P.; Sherman, D. F.

    1980-04-01

    Earlier studies have shown that although large quantities of agricultural residues are generated on small farms, it was difficult to economically justify use of conventional anaerobic digestion technology, such as used for sewage sludge digestion. A simple, unmixed, earthen-supported structure appeared to be capable of producing significant quantities of biogas at a cost that would make it competitive with many existing fuels. The goal of this study was to define and demonstrate a methane fermentation technology that could be practical and economically feasible on small farms. This study provides the first long term, large scale (reactor volumes of 34 m/sup 3/) parallel testing of the major theory, design, construction, and operation of a low cost approach to animal manure fermentation as compared to the more costly and complex designs. The main objectives were to define the lower limits for successful fermentor operation in terms of mixing, insulation, temperature, feed rate, and management requirements in a cold climate with both pilot scale and full scale fermentors. Over a period of four years, innovative fermentation processes for animal manures were developed from theoretical concept to successful full scale demonstration. Reactors were sized for 50 to 65 dairy animals, or for the one-family dairy size. The results show that a small farm biogas generation system that should be widely applicable and economically feasible was operated successfully for nearly two years. Although this low cost system out-performed the completely mixed unit throughout the study, perhaps the greatest advantage of this approach is its ease of modification, operation, and maintenance.

  5. Chemical and microbiological hazards associated with recycling of anaerobic digested residue intended for agricultural use

    SciTech Connect (OSTI)

    Govasmark, Espen; Staeb, Jessica; Holen, Borge; Hoornstra, Douwe; Nesbakk, Tommy; Salkinoja-Salonen, Mirja

    2011-12-15

    In the present study, three full-scale biogas plants (BGP) were investigated for the concentration of heavy metals, organic pollutants, pesticides and the pathogenic bacteria Bacillus cereus and Escherichia coli in the anaerobically digested residues (ADR). The BGPs mainly utilize source-separated organic wastes and industrial food waste as energy sources and separate the ADR into an ADR-liquid and an ADR-solid fraction by centrifugation at the BGP. According to the Norwegian standard for organic fertilizers, the ADR were classified as quality 1 mainly because of high zinc (132-422 mg kg{sup -1} DM) and copper (23-93 mg kg{sup -1} DM) concentrations, but also because of high cadmium (0.21-0.60 mg kg{sup -1} DM) concentrations in the liquid-ADR. In the screening of organic pollutants, only DEHP (9.7-62.1 mg kg{sup -1}) and {Sigma} PAH 16 (0.2-1.98 mg kg{sup -1} DM) were detected in high concentrations according to international regulations. Of the 250 pesticides analyzed, 11 were detected, but only imazalil (<0.30-5.77 mg kg{sup -1} DM) and thiabendazol (<0.14-0.73 mg kg{sup -1} DM) were frequently detected in the ADR-fiber. Concentrations of imazalil and thiabendazol were highest during the winter months, due to a high consumption of citrus fruits in Norway in this period. Ten percent of the ADR-liquid samples contained cereulide-producing B. cereus, whereas no verotoxigenic E. coli was detected. The authors conclude that the risk of chemical and bacterial contamination of the food chain or the environment from agricultural use of ADR seems low.

  6. Theoretical studies of the reactions H + CH [yields] C + H[sub 2] and C + H[sub 2] [yields] CH[sub 2] using an ab ini global ground-state potential surface for CH[sub 2

    SciTech Connect (OSTI)

    Harding, L.B. ); Guadagnini, R.; Schatz, G.C. )

    1993-05-27

    Ab initio, multireference, configuration interaction (CI) calculations have been used to characterize the ground-state potential surface of methylene. The calculations employ a full-valence complete-active-space reference wave function and a (4s,3p,2d,If/3s,2p,1d) basis set. The calculations were carried out at approximately 6000 points, and the resulting energies were fit to a many-body expansion including conical intersections between the [sup 3]B[sub 1] and [sup 3]A[sub 2] states for C[sub 2v] geometries and between the [sup 3]II and [sup 3][Sigma][sup [minus

  7. Agricultural green revolution as a driver of increasing atmospheric CO2 seasonal amplitude

    SciTech Connect (OSTI)

    Zeng, Ning; Zhao, Fang; Collatz, George; Kalnay, Eugenia; Salawitch, Ross J.; West, Tristram O.; Guanter, Luis

    2014-11-20

    The atmospheric carbon dioxide (CO2) record displays a prominent seasonal cycle that arises mainly from changes in vegetation growth and the corresponding CO2 uptake during the boreal spring and summer growing seasons and CO2 release during the autumn and winter seasons. The CO2 seasonal amplitude has increased over the past five decades, suggesting an increase in Northern Hemisphere biospheric activity. It has been proposed that vegetation growth may have been stimulated by higher concentrations of CO2 as well as by warming in recent decades, but such mechanisms have been unable to explain the full range and magnitude of the observed increase in CO2 seasonal amplitude. Here we suggest that the intensification of agriculture (the Green Revolution, in which much greater crop yield per unit area was achieved by hybridization, irrigation and fertilization) during the past five decades is a driver of changes in the seasonal characteristics of the global carbon cycle. Our analysis of CO2 data and atmospheric inversions shows a robust 15 per cent long-term increase in CO2 seasonal amplitude from 1961 to 2010, punctuated by large decadal and interannual variations. Using a terrestrial carbon cycle model that takes into account high-yield cultivars, fertilizer use and irrigation, we find that the long-term increase in CO2 seasonal amplitude arises from two major regions: the mid-latitude cropland between 256N and 606N and the high-latitude natural vegetation between 506N and 706 N. The long-term trend of seasonal amplitude increase is 0.311 0.027 percent per year, of which sensitivity experiments attribute 45, 29 and 26 per cent to land-use change, climate variability and change, and increased productivity due to CO2 fertilization, respectively. Vegetation growth was earlier by one to two weeks, as measured by the mid-point of vegetation carbon uptake, and took up 0.5 petagrams more carbon in July, the height of the growing season, during 20012010 than in 19611970, suggesting that human land use and management contribute to seasonal changes in the CO2 exchange between the biosphere and the atmosphere.

  8. A nine-dimensional ab initio global potential energy surface for the H{sub 2}O{sup +} + H{sub 2} → H{sub 3}O{sup +} + H reaction

    SciTech Connect (OSTI)

    Li, Anyang; Guo, Hua

    2014-06-14

    An accurate full-dimensional global potential energy surface (PES) is developed for the title reaction. While the long-range interactions in the reactant asymptote are represented by an analytical expression, the interaction region of the PES is fit to more than 81 000 of ab initio points at the UCCSD(T)-F12b/AVTZ level using the permutation invariant polynomial neural network approach. Fully symmetric with respect to permutation of all four hydrogen atoms, the PES provides a faithful representation of the ab initio points, with a root mean square error of 1.8 meV or 15 cm{sup −1}. The reaction path for this exoergic reaction features an attractive and barrierless entrance channel, a submerged saddle point, a shallow H{sub 4}O{sup +} well, and a barrierless exit channel. The rate coefficients for the title reaction and kinetic isotope effect have been determined on this PES using quasi-classical trajectories, and they are in good agreement with available experimental data. It is further shown that the H{sub 2}O{sup +} rotational enhancement of reactivity observed experimentally can be traced to the submerged saddle point. Using our recently proposed Sudden Vector Projection model, we demonstrate that a rotational degree of freedom of the H{sub 2}O{sup +} reactant is strongly coupled with the reaction coordinate at this saddle point, thus unraveling the origin of the pronounced mode specificity in this reaction.

  9. Using Biosurfactants Produced from Agriculture Process Waste Streams to Improve Oil Recovery in Fractured Carbonate Reservoirs

    SciTech Connect (OSTI)

    Stephen Johnson; Mehdi Salehi; Karl Eisert; Sandra Fox

    2009-01-07

    This report describes the progress of our research during the first 30 months (10/01/2004 to 03/31/2007) of the original three-year project cycle. The project was terminated early due to DOE budget cuts. This was a joint project between the Tertiary Oil Recovery Project (TORP) at the University of Kansas and the Idaho National Laboratory (INL). The objective was to evaluate the use of low-cost biosurfactants produced from agriculture process waste streams to improve oil recovery in fractured carbonate reservoirs through wettability mediation. Biosurfactant for this project was produced using Bacillus subtilis 21332 and purified potato starch as the growth medium. The INL team produced the biosurfactant and characterized it as surfactin. INL supplied surfactin as required for the tests at KU as well as providing other microbiological services. Interfacial tension (IFT) between Soltrol 130 and both potential benchmark chemical surfactants and crude surfactin was measured over a range of concentrations. The performance of the crude surfactin preparation in reducing IFT was greater than any of the synthetic compounds throughout the concentration range studied but at low concentrations, sodium laureth sulfate (SLS) was closest to the surfactin, and was used as the benchmark in subsequent studies. Core characterization was carried out using both traditional flooding techniques to find porosity and permeability; and NMR/MRI to image cores and identify pore architecture and degree of heterogeneity. A cleaning regime was identified and developed to remove organic materials from cores and crushed carbonate rock. This allowed cores to be fully characterized and returned to a reproducible wettability state when coupled with a crude-oil aging regime. Rapid wettability assessments for crushed matrix material were developed, and used to inform slower Amott wettability tests. Initial static absorption experiments exposed limitations in the use of HPLC and TOC to determine surfactant concentrations. To reliably quantify both benchmark surfactants and surfactin, a surfactant ion-selective electrode was used as an indicator in the potentiometric titration of the anionic surfactants with Hyamine 1622. The wettability change mediated by dilute solutions of a commercial preparation of SLS (STEOL CS-330) and surfactin was assessed using two-phase separation, and water flotation techniques; and surfactant loss due to retention and adsorption on the rock was determined. Qualitative tests indicated that on a molar basis, surfactin is more effective than STEOL CS-330 in altering wettability of crushed Lansing-Kansas City carbonates from oil-wet to water-wet state. Adsorption isotherms of STEOL CS-330 and surfactin on crushed Lansing-Kansas City outcrop and reservoir material showed that surfactin has higher specific adsorption on these oomoldic carbonates. Amott wettability studies confirmed that cleaned cores are mixed-wet, and that the aging procedure renders them oil-wet. Tests of aged cores with no initial water saturation resulted in very little spontaneous oil production, suggesting that water-wet pathways into the matrix are required for wettability change to occur. Further investigation of spontaneous imbibition and forced imbibition of water and surfactant solutions into LKC cores under a variety of conditions--cleaned vs. crude oil-aged; oil saturated vs. initial water saturation; flooded with surfactant vs. not flooded--indicated that in water-wet or intermediate wet cores, sodium laureth sulfate is more effective at enhancing spontaneous imbibition through wettability change. However, in more oil-wet systems, surfactin at the same concentration performs significantly better.

  10. BioEarth: Envisioning and developing a new regional earth system model to inform natural and agricultural resource management

    SciTech Connect (OSTI)

    Adam, J. C.; Stephens, J. C.; Chung, Serena; Brady, M. P.; Evans, R. D.; Kruger, C. E.; Lamb, Brian K.; Liu, M. L.; Stockle, Claudio O.; Vaughan, Joseph K.; Rajagopalan, K.; Harrison, John; Tague, C. L.; Kalyanaraman, Anantharaman; Chen, Yong; Guenther, Alex B.; Leung, F. Y.; Leung, Lai-Yung R.; Perleberg, A. B.; Yoder, J.; Allen, Elizabeth; Anderson, S.; Chandrasekharan, B.; Malek, K.; Mullis, T.; Miller, C.; Nergui, T.; Poinsatte, J.; Reyes, J.; Zhu, J.; Choate, J. S.; Jiang, X.; Nelson, R.; Yoon, Jin-Ho; Yorgey, G. G.; Johnson, Kristen; Chinnayakanhalli, K. J.; Hamlet, A. F.; Nijssen, B.; Walden, Von

    2015-04-01

    As managers of agricultural and natural resources are confronted with uncertainties in global change impacts, the complexities associated with the interconnected cycling of nitrogen, carbon, and water present daunting management challenges. Existing models provide detailed information on specific sub-systems (land, air, water, economics, etc). An increasing awareness of the unintended consequences of management decisions resulting from interconnectedness of these sub-systems, however, necessitates coupled regional earth system models (EaSMs). Decision makers needs and priorities can be integrated into the model design and development processes to enhance decision-making relevance and "usability" of EaSMs. BioEarth is a current research initiative with a focus on the U.S. Pacific Northwest region that explores the coupling of multiple stand-alone EaSMs to generate usable information for resource decision-making. Direct engagement between model developers and non-academic stakeholders involved in resource and environmental management decisions throughout the model development process is a critical component of this effort. BioEarth utilizes a "bottom-up" approach, upscaling a catchment-scale model to basin and regional scales, as opposed to the "top-down" approach of downscaling global models utilized by most other EaSM efforts. This paper describes the BioEarth initiative and highlights opportunities and challenges associated with coupling multiple stand-alone models to generate usable information for agricultural and natural resource decision-making.

  11. Economic evaluation and conceptual design of optimal agricultural systems for production of food and energy. Final report

    SciTech Connect (OSTI)

    1982-03-01

    The major technical and economic considerations which determined the scope of the study and the structure of the linear programming (LP) models are discussed. Four models, each representing a typical crop, beef, dairy, or swine farm in conjunction with ethanol facilities are characterized by the same general behavioral and mathematical model structure. Specific activities, constraints, and data for each of the four models are presented. An overview of the model structure is provided in the context of the general scope and background assumptions, and of its LP implementation. Simulated initial conditions and outcomes are reported for typical Illinois farms. Policy implications are discussed as related to agriculture, energy, and inter-industry coordination. (MHR)

  12. Future Public Policy and Ethical Issues Facing the Agricultural and Microbial Genomics Sectors of the Biotechnology Industry: A Roundtable Discussion

    SciTech Connect (OSTI)

    Diane E. Hoffmann

    2003-09-12

    On September 12, 2003, the University of Maryland School of Law's Intellectual Property and Law & Health Care Programs jointly sponsored and convened a roundtable discussion on the future public policy and ethical issues that will likely face the agricultural and microbial genomics sectors of the biotechnology industry. As this industry has developed over the last two decades, societal concerns have moved from what were often local issues, e.g., the safety of laboratories where scientists conducted recombinant DNA research on transgenic microbes, animals and crops, to more global issues. These newer issues include intellectual property, international trade, risks of genetically engineered foods and microbes, bioterrorism, and marketing and labeling of new products sold worldwide. The fast paced nature of the biotechnology industry and its new developments often mean that legislators, regulators and society, in general, must play ''catch up'' in their efforts to understand the issues, the risks, and even the benefits, that may result from the industry's new ways of conducting research, new products, and novel methods of product marketing and distribution. The goal of the roundtable was to develop a short list of the most significant public policy and ethical issues that will emerge as a result of advances in these sectors of the biotechnology industry over the next five to six years. More concretely, by ''most significant'' the conveners meant the types of issues that would come to the attention of members of Congress or state legislators during this time frame and for which they would be better prepared if they had well researched and timely background information. A concomitant goal was to provide a set of focused issues for academic debate and scholarship so that policy makers, industry leaders and regulators would have the intellectual resources they need to better understand the issues and concerns at stake. The goal was not to provide answers to any of the issues or problems, simply to identify those topics that deserve our attention as a society. Some of the issues may benefit from legislation at the federal or state levels, others may be more appropriately addressed by the private sector. Participants at the roundtable included over a dozen experts in the areas of microbiology, intellectual property, agricultural biotechnology, microbial genomics, bioterrorism, economic development, biotechnology research, and bioethics. These experts came from federal and state government, industry and academia. The participants were asked to come to the roundtable with a written statement of the top three to five public policy/ ethical issues they viewed as most likely to be significant to the industry and to policy makers over the next several years.

  13. Analysis of the research and development effort in the private sector to reduce energy consumption in irrigated agriculture

    SciTech Connect (OSTI)

    Rogers, E.A.; Cone, B.W.

    1980-09-01

    Manufacturers of irrigation equipment perform research and development in an effort to improve or maintain their position in a very competitive market. The market forces and conditions that create the intense competition and provide incentive for invention are described. Particular emphasis is placed on the market force of increased energy costs, but the analysis is developed from the perspective that energy is but one of many inputs to agricultural production. The analysis is based upon published literature, patent activity profiles, microeconomic theory, and conversations with many representatives of the irrigation industry. The published literature provides an understanding of the historical development of irrigation technology, a description of the industry's structure, and various data, which were important for the quantitative analyses. The patent activity profiles, obtained from the US Patent Office, provided details of patent activity within the irrigation industry over the past decade. Microeconomic theory was used to estimate industry-wide research and development expenditures on energy-conserving products. The results of these analyses were then compared with the insights gained from conversations with the industry representatives.

  14. Accurate ab initio-based adiabatic global potential energy surface for the 2{sup 2}A″ state of NH{sub 2} by extrapolation to the complete basis set limit

    SciTech Connect (OSTI)

    Li, Y. Q.; Ma, F. C.; Sun, M. T.

    2013-10-21

    A full three-dimensional global potential energy surface is reported first time for the title system, which is important for the photodissociation processes. It is obtained using double many-body expansion theory and an extensive set of accurate ab initio energies extrapolated to the complete basis set limit. Such a work can be recommended for dynamics studies of the N({sup 2}D) + H{sub 2} reaction, a reliable theoretical treatment of the photodissociation dynamics and as building blocks for constructing the double many-body expansion potential energy surface of larger nitrogen/hydrogen containing systems. In turn, a preliminary theoretical study of the reaction N({sup 2}D)+H{sub 2}(X{sup 1}Σ{sub g}{sup +})(ν=0,j=0)→NH(a{sup 1}Δ)+H({sup 2}S) has been carried out with the method of quasi-classical trajectory on the new potential energy surface. Integral cross sections and thermal rate constants have been calculated, providing perhaps the most reliable estimate of the integral cross sections and the rate constants known thus far for such a reaction.

  15. Time-dependent quantum wave packet study of the Ar+H{sub 2}{sup +}{yields}ArH{sup +}+H reaction on a new ab initio potential energy surface for the ground electronic state (1{sup 2}A Prime )

    SciTech Connect (OSTI)

    Hu Mei; Liu Xinguo; Tan Ruishan; Li Hongzheng; Xu Wenwu

    2013-05-07

    A new global potential energy surface for the ground electronic state (1{sup 2}A Prime ) of the Ar+H{sub 2}{sup +}{yields}ArH{sup +}+H reaction has been constructed by multi-reference configuration interaction method with Davidson correction and a basis set of aug-cc-pVQZ. Using 6080 ab initio single-point energies of all the regions for the dynamics, a many-body expansion function form has been used to fit these points. The quantum reactive scattering dynamics calculations taking into account the Coriolis coupling (CC) were carried out on the new potential energy surface over a range of collision energies (0.03-1.0 eV). The reaction probabilities and integral cross sections for the title reaction were calculated. The significance of including the CC quantum scattering calculation has been revealed by the comparison between the CC and the centrifugal sudden approximation calculation. The calculated cross section is in agreement with the experimental result at collision energy 1.0 eV.

  16. Agricultural Improvement Loan Program

    Broader source: Energy.gov [DOE]

    Like Minnesota's Stock Loan Program, this is a "participation loan," where loans are made by individual financial institutions working with the RFA. The RFA has a Master Participation Agreement...

  17. WINDExchange: Agricultural Podcasts

    Wind Powering America (EERE)

    agriculturalpodcasts.asp A series of radio interviews on wind energy aimed at a rural stakeholder audience produced by WINDExchange and the National Association of Farm...

  18. Agricultural Energy Loan Program

    Broader source: Energy.gov [DOE]

    The maximum total amount of loans that can be outstanding to a borrower at any time is $1,355,000. The percent of the project funded by VACC is negotiable. Loans are provided at variable rates, a...

  19. Sustainable Agriculture Loan Program

    Broader source: Energy.gov [DOE]

    Loans are available in amounts of up to $40,000 per farm family, with up to $160,000 ($40,000 per farmer) available for joint projects. The program currently offers a fixed interest rate of 3%...

  20. Bioelectrochemical Treatment of Gaseous By-products - Energy...

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

    or interior portions a proton-conducting medium, and (iii) said anode is in electrical communication with a cathode of the bioelectrochemical device. The invention is also...

  1. Proper chip storage methods can reduce wood and byproduct losses

    SciTech Connect (OSTI)

    Maron, G.F.

    1982-01-01

    Guidelines are given to help in proper chip storage and inventory. The volume, location, and methods of chip storage affect production cost and require consideration in the design of a storage system.

  2. BUILDING MATERIALS MADE FROM FLUE GAS DESULFURIZATION BY-PRODUCTS

    SciTech Connect (OSTI)

    Michael W. Grutzeck; Maria DiCola; Paul Brenner

    2006-03-30

    Flue gas desulphurization (FGD) materials are produced in abundant quantities by coal burning utilities. Due to environmental restrains, flue gases must be ''cleaned'' prior to release to the atmosphere. They are two general methods to ''scrub'' flue gas: wet and dry. The choice of scrubbing material is often defined by the type of coal being burned, i.e. its composition. Scrubbing is traditionally carried out using a slurry of calcium containing material (slaked lime or calcium carbonate) that is made to contact exiting flue gas as either a spay injected into the gas or in a bubble tower. The calcium combined with the SO{sub 2} in the gas to form insoluble precipitates. Some plants have been using dry injection of these same materials or their own Class C fly ash to scrub. In either case the end product contains primarily hannebachite (CaSO{sub 3} {center_dot} 1/2H{sub 2}O) with smaller amounts of gypsum (CaSO{sub 4} {center_dot} 2H{sub 2}O). These materials have little commercial use. Experiments were carried out that were meant to explore the feasibility of using blends of hannebachite and fly ash mixed with concentrated sodium hydroxide to make masonry products. The results suggest that some of these mixtures could be used in place of conventional Portland cement based products such as retaining wall bricks and pavers.

  3. Producing Beneficial Materials from Biomass and Biodiesel Byproducts

    Energy Innovation Portal (Marketing Summaries) [EERE]

    2010-02-02

    Researchers at Berkeley Lab have created a process to produce olefins from polyols that may be biomass derived. The team is also the first to introduce a method of producing high purity allyl alcohol at a large scale by using glycerol as the starting material instead propylene, a petroleum feedstock....

  4. Nitrogen availability and indirect measurements of greenhouse gas emissions from aerobic and anaerobic biowaste digestates applied to agricultural soils

    SciTech Connect (OSTI)

    Rigby, H.; Smith, S.R.

    2013-12-15

    Highlights: Nitrogen release in digestate-amended soil depends on the digestate type. Overall N release is modulated by digestate mineral and mineralisable N contents. Microbial immobilisation does not influence overall release of digestate N in soil. Digestate physical properties and soil type interact to affect overall N recovery. High labile C inputs in digestate may promote denitrification in fine-textured soil. - Abstract: Recycling biowaste digestates on agricultural land diverts biodegradable waste from landfill disposal and represents a sustainable source of nutrients and organic matter (OM) to improve soil for crop production. However, the dynamics of nitrogen (N) release from these organic N sources must be determined to optimise their fertiliser value and management. This laboratory incubation experiment examined the effects of digestate type (aerobic and anaerobic), waste type (industrial, agricultural and municipal solid waste or sewage sludge) and soil type (sandy loam, sandy silt loam and silty clay) on N availability in digestate-amended soils and also quantified the extent and significance of the immobilisation of N within the soil microbial biomass, as a possible regulatory mechanism of N release. The digestate types examined included: dewatered, anaerobically digested biosolids (DMAD); dewatered, anaerobic mesophilic digestate from the organic fraction of municipal solid waste (DMADMSW); liquid, anaerobic co-digestate of food and animal slurry (LcoMAD) and liquid, thermophilic aerobic digestate of food waste (LTAD). Ammonium chloride (NH{sub 4}Cl) was included as a reference treatment for mineral N. After 48 days, the final, maximum net recoveries of mineral N relative to the total N (TN) addition in the different digestates and unamended control treatments were in the decreasing order: LcoMAD, 68%; LTAD, 37%, DMAD, 20%; and DMADMSW, 11%. A transient increase in microbial biomass N (MBN) was observed with LTAD application, indicating greater microbial activity in amended soil and reflecting the lower stability of this OM source, compared to the other, anaerobic digestate types, which showed no consistent effects on MBN compared to the control. Thus, the overall net release of digestate N in different soil types was not regulated by N transfer into the soil microbial biomass, but was determined primarily by digestate properties and the capacity of the soil type to process and turnover digestate N. In contrast to the sandy soil types, where nitrate (NO{sub 3}{sup -}) concentrations increased during incubation, there was an absence of NO{sub 3}{sup -} accumulation in the silty clay soil amended with LTAD and DMADMSW. This provided indirect evidence for denitrification activity and the gaseous loss of N, and the associated increased risk of greenhouse gas emissions under certain conditions of labile C supply and/or digestate physical structure in fine-textured soil types. The significance and influence of the interaction between soil type and digestate stability and physical properties on denitrification processes in digestate-amended soils require urgent investigation to ensure management practices are appropriate to minimise greenhouse gas emissions from land applied biowastes.

  5. Agriculture, irrigation, and drainage on the west side of the San Joaquin Valley, California: Unified perspective on hydrogeology, geochemistry and management

    SciTech Connect (OSTI)

    Narasimhan, T.N.; Quinn, N.W.T.

    1996-03-01

    The purpose of this report is to provide a broad understanding of water-related issues of agriculture and drainage on the west side of the San Joaquin Valley. To this end, an attempt is made to review available literature on land and water resources of the San Joaquin Valley and to generate a process-oriented framework within which the various physical-, chemical-, biological- and economic components of the system and their interactions are placed in mutual perspective.

  6. Information technology and innovative drainage management practices for selenium load reduction from irrigated agriculture to provide stakeholder assurances and meet contaminant mass loading policy objectives

    SciTech Connect (OSTI)

    Quinn, N.W.T.

    2009-10-15

    Many perceive the implementation of environmental regulatory policy, especially concerning non-point source pollution from irrigated agriculture, as being less efficient in the United States than in many other countries. This is partly a result of the stakeholder involvement process but is also a reflection of the inability to make effective use of Environmental Decision Support Systems (EDSS) to facilitate technical information exchange with stakeholders and to provide a forum for innovative ideas for controlling non-point source pollutant loading. This paper describes one of the success stories where a standardized Environmental Protection Agency (EPA) methodology was modified to better suit regulation of a trace element in agricultural subsurface drainage and information technology was developed to help guide stakeholders, provide assurances to the public and encourage innovation while improving compliance with State water quality objectives. The geographic focus of the paper is the western San Joaquin Valley where, in 1985, evapoconcentration of selenium in agricultural subsurface drainage water, diverted into large ponds within a federal wildlife refuge, caused teratogenecity in waterfowl embryos and in other sensitive wildlife species. The fallout from this environmental disaster was a concerted attempt by State and Federal water agencies to regulate non-point source loads of the trace element selenium. The complexity of selenium hydrogeochemistry, the difficulty and expense of selenium concentration monitoring and political discord between agricultural and environmental interests created challenges to the regulation process. Innovative policy and institutional constructs, supported by environmental monitoring and the web-based data management and dissemination systems, provided essential decision support, created opportunities for adaptive management and ultimately contributed to project success. The paper provides a retrospective on the contentious planning process and offers suggestions as to how the technical and institutional issues could have been resolved faster through early adoption of some of the core principles of sound EDSS design.

  7. Economic and Physical Modeling of Land Use in GCAM 3.0 and an Application to Agricultural Productivity, Land, and Terrestrial Carbon

    SciTech Connect (OSTI)

    Wise, Marshall A.; Calvin, Katherine V.; Kyle, G. Page; Luckow, Patrick; Edmonds, James A.

    2014-09-01

    We explore the impact of changes in agricultural productivity on global land use and terrestrial carbon using the new agriculture and land use modeling approach developed for Global Change Assessment Model (GCAM) version 3.0. This approach models economic land use decisions with regional, physical, and technological specificity while maintaining economic and physical integration with the rest of the GCAM model. Physical land characteristics and quantities are tracked explicitly, and crop production practices are modeled discretely to facilitate coupling with physical models. Economic land allocation is modeled with non-linear functions in a market equilibrium rather than through a constrained optimization. In this paper, we explore three scenarios of future agriculture productivity in all regions of the globe over this century, ranging from a high growth to a zero growth level. The higher productivity growth scenario leads to lower crop prices, increased production of crops in developing nations, preservation of global forested lands and lower terrestrial carbon emissions. The scenario with no productivity improvement results in higher crop prices, an expansion of crop production in the developed world, loss of forested lands globally, and higher terrestrial carbon emissions.

  8. Experimental and ab initio studies of the reactive processes in gas phase i-C{sub 3}H{sub 7}Br and i-C{sub 3}H{sub 7}OH collisions with potassium ions

    SciTech Connect (OSTI)

    Lpez, E.; Lucas, J. M.; Andrs, J. de; Albert, M.; Aguilar, A., E-mail: a.aguilar@ub.edu [Departament de Qumica Fsica, Institut de Qumica Terica i Computacional (IQTCUB), Universitat de Barcelona, Mart i Franqus, 1, 08028 Barcelona (Spain); Bofill, J. M. [Departament de Qumica Orgnica, Institut de Qumica Terica i Computacional (IQTCUB), Universitat de Barcelona, Mart i Franqus, 1, 08028 Barcelona (Spain); Bassi, D. [Dipartimento di Fisica, Universit degli Studi di Trento, 38123 Povo-Trento (Italy)

    2014-10-28

    Collisions between potassium ions and neutral i-C{sub 3}H{sub 7}Br and i-C{sub 3}H{sub 7}OH, all in their electronic ground state, have been studied in the 0.1010.00 eV center of mass (CM) collision energy range, using the radiofrequency-guided ion beam technique. In K{sup +} + i-C{sub 3}H{sub 7}Br collisions KHBr{sup +} formation was observed and quantified, while the analogous KH{sub 2}O{sup +} formation in K{sup +} + i-C{sub 3}H{sub 7}OH was hardly detected. Moreover, formation of the ion-molecule adducts and their decomposition leading to C{sub 3}H{sub 7}{sup +} and either KBr or KOH, respectively, have been observed. For all these processes, absolute cross-sections were measured as a function of the CM collision energy. Ab initio structure calculations at the MP2 level have given information about the potential energy surfaces (PESs) involved. In these, different stationary points have been characterized using the reaction coordinate method, their connectivity being ensured by using the intrinsic-reaction-coordinate method. From the measured excitation function for KHBr{sup +} formation the corresponding thermal rate constant at 303 K has been calculated. The topology of the calculated PESs allows an interpretation of the main features of the reaction dynamics of both systems, and in particular evidence the important role played by the potential energy wells in controlling the reactivity for the different reaction channels.

  9. Microsoft Word - Abriola_abs_2012

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

    IAEA's Coordinated Research Project (CRP) on beta-delayed neutron emission Dr. Daniel Abriola International Atomic Energy Agency, Vienna, Austria Beta-delayed neutron emission is a decay mode relevant not only in the field of nuclear reactor technology, but also in nuclear theory and astrophysics. The IAEA has been promoting studies of this decay mode for considerable time now. In this continued effort, a consultants' meeting was recently held at the IAEA in Vienna, from 10-12 October 2011 [1].

  10. Microsoft Word - Abs-Lie-Wen_Chen

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

    2, at 3:45 pm "Probing the Nuclear Symmetry Energy with Heavy-Ion Reactions and Neutron Skin Thickness of Heavy Nuclei" Professor Lie-Wen Chen Institute of Nuclear, Particle, Astronomy and Cosmology (INPAC) and Department of Physics, Shanghai Jiao Tong University, Shanghai, China Heavy-ion reactions induced by neutron-rich nuclei and the neutron skin thickness of heavy nuclei provide a unique means to investigate the equation of state of isospin asymmetric nuclear matter, especially

  11. Microsoft Word - Abs_Talmi_2011

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

    nuclear shell model - older than 60 years Professor Igal Talmi Weizmann Institute of Science, Rehovot, Israel Abstract The shell model, introduced more than 60 years ago, has been the standard model for analyzing and calculating nuclear observables. In this model, nucleons move independently in a common central potential well. This has been difficult to reconcile with the rather strong and short ranged interaction between free nucleons. Calculations of energy levels of nuclei have been

  12. Microsoft Word - Choudhury_abs2

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

    Scission α-particle Emission in Fission Dr. R.K.Choudhury Nuclear Physics Division, Bhabha Atomic Research Centre, Mumbai, India Abstract Experimental studies have shown that nuclear fission is a slow process and it involves complex dynamical evolution of a nucleus into a dinuclear configuration leading to the scission of the neck. In low energy and spontaneous fission, emission of charged particles at the scission stage has been investigated extensively in the past (termed as ternary fission).

  13. Microsoft Word - Efimov_Abs2011

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

    GIANT QUANTUM FEW-BODY SYSTEMS Professor Vitaly Efimov University of Washington, Seattle Quantum mechanics predicts the existence of giant few-body systems, many times larger than the characteristic range of the interparticle forces. The systems can be nuclear or atomic - quantum mechanics says the mechanism responsible for the existence of such systems is universal. A striking feature of the prediction is that if one such giant is observed, many more should exist, with all of them essentially

  14. Microsoft Word - Folda_abs2011

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

    Heaviest Elements Professor C. M. Folden III Cyclotron Institute, Texas A&M University The field of heavy element research has made tremendous strides in the last decade, highlighted by the discoveries of six new superheavy elements since 1999. Currently, the favored reaction for production of these elements is the complete fusion, neutron evaporation reaction, where two nuclei fuse and release excess energy through the emission of neutrons. The products of these reactions are separated from

  15. Microsoft Word - Golovkov09_Abs.doc

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

    Correlation study of light neutron rich nuclei Dr., Prof. Michael Golovkov Flerov Laboratory of Nuclear Reactions Joint Institute for Nuclear Research, Dubna, Russia ABSTRACT Drip line nuclei attract constant interest in the last few decades. It is related with a fact that the properties of these nuclei may differ drastically from the stability valley nuclei. These can be manifested via quite new phenomena which are never seen in the well bound nuclei. Studies of the drip line nuclear can give a

  16. Microsoft Word - JRStone_Abs_2011

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

    Matter and Giant Resonance Constraints on Models of Nucleon-Nucleon Interaction. Professor J. Stone Oxford University, UK, and University of Tennesse, USA After more then 50 years of all-out effort by the nuclear physics community, models of the nucleon-nucleon interaction are not well constrained. This situation has a direct effect on determination of the equation of state (EoS) of nuclear matter over a wide range of density and temperature. The EoS is a key input to analysis and interpretation

  17. Microsoft Word - Mazzocco_abs_11

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

    Reaction Dynamics Studies with the Facility EXOTIC at LNL Dr. Marco Mazzocco Dipartimento di Fisica and INFN - Sezione di Padova, Padova, Italy The facility EXOTIC [1] for the in-flight production of light weakly-bound Radioactive Ion Beams (RIB's) is now fully operational at the Laboratori Nazionali di Legnaro (LNL, Italy). The production technique employs inverse kinematics two-body reactions induced by heavy-ion beams impinging on light gas targets, such as H 2 , D 2 , 3 He or 4 He. Secondary

  18. Microsoft Word - NStone_Abs2011

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

    Pathological Physics is alive and well Professor N. Stone Oxford University, UK, and University of Tennessee, USA The name pathological science was applied by the Nobel Prize winning chemist Irving Langmuir to describe the studies in which scientists have been persuaded to support erroneous ideas through wishful thinking - the science of 'things that aren't so'. In this talk, after reviewing some classical examples of pathological physics, I will describe, from first hand involvement, two very

  19. Microsoft Word - Obertellii09_Abs.doc

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

    New developments for knockout reactions at intermediate energies Dr. Alexandre Obertelli Service de Physique Nucléaire, CEA/Saclay, DSM/IRFU/SPhN, France ABSTRACT Direct nuclear reactions, collisions during which very few nuclear degrees of freedom are modified, are commonly used to populate single-particle states and access information on nucleonic shell occupancies through the extraction of spectroscopic factors Sf , defined as the overlap between populated final states and the initial state

  20. Microsoft Word - Souliotis_abs_2011

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

    neutron-rich nuclei towards the r-process path in peripheral heavy-ion collisions at 15 MeV/nucleon Professor George A. Souliotis Laboratory of Physical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Athens 15771 Greece, and Cyclotron Institute, Texas A&M University, College Station, Texas 77843. Abstract Neutron-rich nuclides have traditionally been produced in spallation reactions, fission and "cold'' projectile fragmentation. Apart from these main

  1. ABS Alaskan Inc | Open Energy Information

    Open Energy Info (EERE)

    Alaska Zip: 99701 Region: United States Sector: Marine and Hydrokinetic, Solar, Wind energy Product: Solar PV, Solar thermal, Wind, Hydro, Small scale wind turbine (up to...

  2. WPD Scandinavia AB | Open Energy Information

    Open Energy Info (EERE)

    mainly on deal structuring, project controlling, advance funding of project development costs, procuring equity, and the co-development of wind farms. Coordinates: 59.33228,...

  3. CX-006800: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Solar Grade Silicon from Agricultural ByproductsCX(s) Applied: B3.6Date: 09/15/2011Location(s): Ann Arbor, MichiganOffice(s): Energy Efficiency and Renewable Energy, Golden Field Office

  4. Photo-induced isomerization of ethylene-bridged azobenzene explored by ab initio based non-adiabatic dynamics simulation: A comparative investigation of the isomerization in the gas and solution phases

    SciTech Connect (OSTI)

    Cao Jun; Liu Lihong; Fang Weihai; Xie Zhizhong; Zhang Yong

    2013-04-07

    Azobenzene is one of the most widely used photoactive units and recently an ethylene-bridged azobenzene (BAB) was reported to have greatly enhanced conversion efficiency, quantum yield, and other favorable properties. As the first step towards exploring its photo-switchable character in real systems, we report here a systematic study on the photoisomerization dynamics between trans (E) and cis (Z) isomers in the gas phase and the CH{sub 3}OH solution, using ab initio based surface hopping and molecular dynamics, which is the first report of dynamics simulation to reveal the environmental effects on BAB photoreactions. Results show that while the relatively faster S{sub 1} relaxation of the photo-induced E{yields}Z process is only mildly affected by the solvent effect, the relatively slower S{sub 1} relaxation of the reverse reaction becomes even slower in the solution compared to the gas phase. The subsequent S{sub 0} dynamics from the conical intersection between S{sub 1} and S{sub 0} (CI{sub E}) to Z is accelerated in solution compared to the gas phase because of avoided re-crossing to the S{sub 1} state, while the S{sub 0} dynamics from the conical intersection between S{sub 1} and S{sub 0} (CI{sub Z}) to E are basically the same in both phases. Overall, the solvent effect was found to enhance the back-and-forth photo-switch efficiency between the Z and E isomers compared to the gas phase, while the quantum yields are reduced. But the solution yields of both the forward and backward photoreactions are still around 0.4. Therefore, BAB may have good photo-responsive properties if used as a photoactive unit in real systems. These results will facilitate future experimental and theoretical studies in this area to help design new azobenzene derivatives as photoactive units in biological processes, nanoscale devices, and photo-responsive materials.

  5. Opportunities to assist developing countries in the proper use of agricultural and industrial chemicals. Report of the Committee on Health and Environment. Volume 1. Research paper(Final)

    SciTech Connect (OSTI)

    Not Available

    1988-02-18

    This report was prepared to examine opportunities for promoting the proper use of agricultural and industrial chemicals, and of alternatives such as integrated pest management. Volume one provides an overview of the economic, health, and environmental costs developing countries incur from improper pesticide and chemical use and presents detailed action recommendations for the Agency for International Development (AID). Volume two provides source information: included are sections on AID's and other donors' environmental policies, the activities of other US government agencies operating abroad, and lessons learned from integrated pest management programs, along with a 35-page bibliography.

  6. Mapping intra-field yield variation using high resolution satellite imagery to integrate bioenergy and environmental stewardship in an agricultural watershed

    SciTech Connect (OSTI)

    Hamada, Yuki; Ssegane, Herbert; Negri, Maria Cristina

    2015-07-31

    Biofuels are important alternatives for meeting our future energy needs. Successful bioenergy crop production requires maintaining environmental sustainability and minimum impacts on current net annual food, feed, and fiber production. The objectives of this study were to: (1) determine under-productive areas within an agricultural field in a watershed using a single date; high resolution remote sensing and (2) examine impacts of growing bioenergy crops in the under-productive areas using hydrologic modeling in order to facilitate sustainable landscape design. Normalized difference indices (NDIs) were computed based on the ratio of all possible two-band combinations using the RapidEye and the National Agricultural Imagery Program images collected in summer 2011. A multiple regression analysis was performed using 10 NDIs and five RapidEye spectral bands. The regression analysis suggested that the red and near infrared bands and NDI using red-edge and near infrared that is known as the red-edge normalized difference vegetation index (RENDVI) had the highest correlation (R2 = 0.524) with the reference yield. Although predictive yield map showed striking similarity to the reference yield map, the model had modest correlation; thus, further research is needed to improve predictive capability for absolute yields. Forecasted impact using the Soil and Water Assessment Tool model of growing switchgrass (Panicum virgatum) on under-productive areas based on corn yield thresholds of 3.1, 4.7, and 6.3 Mgha-1 showed reduction of tile NO3-N and sediment exports by 15.9%25.9% and 25%39%, respectively. Corresponding reductions in water yields ranged from 0.9% to 2.5%. While further research is warranted, the study demonstrated the integration of remote sensing and hydrologic modeling to quantify the multifunctional value of projected future landscape patterns in a context of sustainable bioenergy crop production.

  7. Joint environmental assessment 1997--2001 of the California Department of Food and Agriculture Curly Top Virus Control Program for Bureau of Land Management and Department of Energy

    SciTech Connect (OSTI)

    1997-03-01

    The DOE, Naval Petroleum reserves in California (NPRC), proposes to sign an Amendment to the Cooperative Agreement and Supplement with the California Department of Food and Agriculture (CDFA) to extend the term of the Curly Top Virus Control Program (CTVCP) in California. This program involves Malathion spraying on NPRC lands to control the beet leafhopper, over a five year period from 1997 through 2001. It is expected that approximately 330 acres on Naval Petroleum Reserve Number 1 (NPR-1) and approximately 9,603 acres on Naval Petroleum Reserve Number 2 (NPR-2) will be treated with Malathion annually by CDFA during the course of this program. The actual acreage subject to treatment can vary from year to year. Pursuant to the requirements of the National Environmental Policy Act of 1969 (NEPA), as amended, the potential impacts of the proposed action were analyzed in a Joint Environmental Assessment (DOE/EA-1011) with the US Department of Interior, Bureau of Land Management (BLM) acting as lead agency, in consultation with the CDFA, and the DOE acting as a cooperating agency. Based on the analysis in the EA, DOE has determined that the conduct of the Curly Top Virus Control Program in California is not a major Federal action significantly affecting the quality of the human environment, within the meaning of the NEPA. Therefore, the preparation of an Environmental Impact Statement is not required and DOE is consequently issuing a FONSI.

  8. Agricultural Equipment | Open Energy Information

    Open Energy Info (EERE)

    Contact needs updating Image needs updating Reference needed Missing content Broken link Other Additional Comments Cancel Submit Category: Articles with outstanding TODO tasks...

  9. Mapping intra-field yield variation using high resolution satellite imagery to integrate bioenergy and environmental stewardship in an agricultural watershed

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

    Hamada, Yuki; Ssegane, Herbert; Negri, Maria Cristina

    2015-07-31

    Biofuels are important alternatives for meeting our future energy needs. Successful bioenergy crop production requires maintaining environmental sustainability and minimum impacts on current net annual food, feed, and fiber production. The objectives of this study were to: (1) determine under-productive areas within an agricultural field in a watershed using a single date; high resolution remote sensing and (2) examine impacts of growing bioenergy crops in the under-productive areas using hydrologic modeling in order to facilitate sustainable landscape design. Normalized difference indices (NDIs) were computed based on the ratio of all possible two-band combinations using the RapidEye and the National Agriculturalmore » Imagery Program images collected in summer 2011. A multiple regression analysis was performed using 10 NDIs and five RapidEye spectral bands. The regression analysis suggested that the red and near infrared bands and NDI using red-edge and near infrared that is known as the red-edge normalized difference vegetation index (RENDVI) had the highest correlation (R2 = 0.524) with the reference yield. Although predictive yield map showed striking similarity to the reference yield map, the model had modest correlation; thus, further research is needed to improve predictive capability for absolute yields. Forecasted impact using the Soil and Water Assessment Tool model of growing switchgrass (Panicum virgatum) on under-productive areas based on corn yield thresholds of 3.1, 4.7, and 6.3 Mg·ha-1 showed reduction of tile NO3-N and sediment exports by 15.9%–25.9% and 25%–39%, respectively. Corresponding reductions in water yields ranged from 0.9% to 2.5%. While further research is warranted, the study demonstrated the integration of remote sensing and hydrologic modeling to quantify the multifunctional value of projected future landscape patterns in a context of sustainable bioenergy crop production.« less

  10. Analysis of methods and models for assessing the direct and indirect economic impacts of CO/sub 2/-induced environmental changes in the agricultural sector of the US economy

    SciTech Connect (OSTI)

    Callaway, J.M.

    1982-08-01

    Alternative methods for quantifying the economic impacts associated with future increases in the ambient concentration of CO/sub 2/ were examined. A literature search was undertaken, both to gain a better understanding of the ways in which CO/sub 2/ buildup could affect crop growth and to identify the different methods available for assessing the impacts of CO/sub 2/-induced environmental changes on crop yields. The second task involved identifying the scope of both the direct and indirect economic impacts that could occur as a result of CO/sub 2/-induced changes in crop yields. The third task then consisted of a comprehensive literature search to identify what types of economic models could be used effectively to assess the kinds of direct and indirect economic impacts that could conceivably occur as a result of CO/sub 2/ buildup. Specific attention was focused upon national and multi-regional agricultural sector models, multi-country agricultural trade models, and macroeconomic models of the US economy. The fourth and final task of this research involved synthesizing the information gathered in the previous tasks into a systematic framework for assessing the direct and indirect economic impacts of CO/sub 2/-induced environmental changes related to agricultural production.

  11. Environmental and societal consequences of a possible CO/sub 2/-induced climate change. Volume II, Part 8. Impacts of rising atmospheric carbon dioxide levels on agricultural growing seasons and crop water use efficiencies

    SciTech Connect (OSTI)

    Newman, J. E.

    1982-09-01

    The researchable areas addressed relate to the possible impacts of climate change on agricultural growing seasons and crop adaptation responses on a global basis. The research activities proposed are divided into the following two main areas of investigation: anticipated climate change impacts on the physical environmental characteristics of the agricultural growing seasons and, the most probable food crop responses to the possible changes in atmospheric CO/sub 2/ levels in plant environments. The main physical environmental impacts considered are the changes in temperature, or more directly, thermal energy levels and the growing season evapotranspiration-precipitation balances. The resulting food crop, commercial forest and rangeland species response impacts addressed relate to potential geographical shifts in agricultural growing seasons as determined by the length in days of the frost free period, thermal energy changes and water balance changes. In addition, the interaction of possible changes in plant water use efficiencies during the growing season in relationship to changing atmospheric CO/sub 2/ concentrations, is also considered under the scenario of global warming due to increases in atmospheric CO/sub 2/ concentration. These proposed research investigations are followed by adaptive response evaluations.

  12. Ab-initio study of electronic structure and magnetic properties of half-metallic Fe{sub 2}Mn{sub 1−x}V{sub x}Si{sub 0.5}Al{sub 0.5} alloys

    SciTech Connect (OSTI)

    Go, Anna

    2014-11-15

    Ab-initio electronic structure calculations are carried out for quinternary Fe{sub 2}Mn{sub 1−x}V{sub x}Si{sub 0.5}Al{sub 0.5} alloys. When x=0 the alloy is half-metallic ferromagnet, with magnetic moment following the Slater–Pauling rule. Replacement of Mn by V, changes its electronic and magnetic structure. V-doped alloys exhibit half-metallic behavior for x≤0.25. However, even for higher V concentrations, electronic spin polarization is still very high, what makes the alloys interesting for spintronic applications. - Graphical abstract: Densities of states of Fe{sub 2}MnSi{sub 0.5}Al{sub 0.5} and magnetic moments of Fe{sub 2}Mn{sub 1−x}V{sub x}Si{sub 0.5}Al{sub 0.5}. - Highlights: • Fe{sub 2}MnSi{sub 0.5}Al{sub 0.5} is a half-metallic ferromagnet with a minority band gap of 0.49 eV. • Half-metallic band gap is very stable against the change of the lattice parameter. • Half-metallic band gap is obtained for Fe{sub 2}Mn{sub 1−x}V{sub x}Si{sub 0.5}Al{sub 0.5} for x≤0.25. • Electronic spin polarization is very high and equal to at least 95% for x≤0.625. • The main carrier of magnetism of the compound is manganese.

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

    Office of Scientific and Technical Information (OSTI)

    Research Org: Argonne National Laboratory (ANL) Sponsoring Org: SC OFFICE OF BASIC ENERGY SCIENCES Country of Publication: United States Language: ENGLISH Word Cloud More Like This ...

  14. Nonadiabatic ab initio molecular dynamics of photoisomerization in bridged azobenzene

    SciTech Connect (OSTI)

    Gao Aihua; Li Bin; Zhang Peiyu; Han Keli [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China)

    2012-11-28

    The photoisomerization mechanisms of bridged azobenzene are investigated by means of surface hopping dynamics simulations based on the Zhu-Nakamura theory. In the geometry optimizations and potential energy surface calculations, four minimum-energy conical intersections between the ground state and the lowest excited state are found to play important roles in the trans-cis and cis-trans isomerization processes. The trans-cis photoisomerization proceeds through two minimum-energy conical intersections. Ultrafast pedal motion of the N atoms and twisting of phenyl rings around their N-C bonds allows the molecule to move to a minimum-energy conical intersection, after which surface hopping from S{sub 1} to S{sub 0} occurs. In the S{sub 0} state, further rotation occurs around the N=N bond and two N-C bonds until the azo moiety and phenyl rings complete their isomerization. Finally, the cis form is achieved by subsequent adjustment of the ethylene bridge. In the cis-trans photodynamics, there is one rotational pathway, in the middle of which two CIs are responsible for the surface hopping to the S{sub 0} state. After the nonadiabatic transition, the molecule reaches the trans form through a barrierless pathway and the two phenyl rings and the additional bridge complete their reorientation almost at the same time.

  15. MHK Projects/Uppsala University Seabased AB Lysekil Sweden |...

    Open Energy Info (EERE)

    Project Phase Phase 3 Project Details The project goal is to have a park of 10 wave energy converters connected to the electric grid by 2010. The first wave energy converter was...

  16. Molecular dynamics simulation and ab intio studies of electrolytes...

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

    Vehicle Technologies Program Annual Merit Review and Peer Evaluation PDF icon es058smith2011o.pdf More Documents & Publications Molecular Dynamics Simulation Studies of ...

  17. MHK Technologies/Uppsala Seabased AB Wave Energy Converter |...

    Open Energy Info (EERE)

    Technology Profile Primary Organization Uppsala University Division for Electricity Technology Resource Click here Wave Technology Description The system consists of a...

  18. Microsoft Word - Ayik_talk_abs_Mar2011

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

    Stochastic Mean-Field Approach For Nuclear Dynamics Dr. Sakir Ayik Physics Department, Tennessee Tech University Cookeville, TN Abstract After a brief introduction to nuclear transport theory, in the first part, I briefly describe a stochastic model for fusion near barrier energies and talk about a stochastic mean-field approach for description of heavy-ion collisions at low energies. In the second part, I illustrate several applications of the stochastic mean-field approach including transport

  19. Microsoft Word - Wada_talk_abs_Feb2011

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

    Hot nuclear matter properties and reaction dynamics in intermediate heavy ion reactions Dr. R. Wada Cyclotron Institute, Texas A&M University Abstract The nature of the hot nuclear matter produced in intermediate heavy ion collisions has been studied, using isotopically separated fragment yield distribution with Z up to 18. The reaction systems studied are 64,70 Zn, 64 Ni + 58,64 Ni, 112,124 Sn, 197 Au and 232 Th at 40 A MeV. The coefficient of symmetry, pairing, Coulomb energy terms and

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

    Office of Scientific and Technical Information (OSTI)

    GrantContract Number: FG02-97ER41019; SC0008499; FG02-96ER40963 Type: Publisher's Accepted Manuscript Journal Name: Physical Review Letters Additional Journal Information: Journal ...

  1. Ab initio molecular orbital-configuration interaction based quantum...

    Office of Scientific and Technical Information (OSTI)

    Dynamic in the second harmonic generation is calculated based on the nonperturbative definition of nonlinear optical susceptibility, using the frequency domain system ...

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

    Office of Scientific and Technical Information (OSTI)

    Such Tt may be outside the operating temperature range (To) for a practical capture technology. To adjust Tt to fit the practical To, in this study, three scenarios of mixing ...

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

    Open Energy Info (EERE)

    Devices Deployed 1 Main Overseeing Organization New Energy Corporation Project Licensing Environmental Monitoring and Mitigation Efforts See Tethys << Return to the MHK database...

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

    Open Energy Info (EERE)

    Corporation Project Technology *MHK TechnologiesEnCurrent Turbine Project Licensing Environmental Monitoring and Mitigation Efforts See Tethys << Return to the MHK database...

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

    Office of Scientific and Technical Information (OSTI)

    Authors: Hergert, H. ; Bogner, S. K. ; Morris, T. D. ; Binder, S. ; Calci, A. ; Langhammer, J. ; Roth, R. Publication Date: 2014-10-23 OSTI Identifier: 1179981 GrantContract ...

  6. Thermodynamically constrained correction to ab initio equations of state

    SciTech Connect (OSTI)

    French, Martin; Mattsson, Thomas R.

    2014-07-07

    We show how equations of state generated by density functional theory methods can be augmented to match experimental data without distorting the correct behavior in the high- and low-density limits. The technique is thermodynamically consistent and relies on knowledge of the density and bulk modulus at a reference state and an estimation of the critical density of the liquid phase. We apply the method to four materials representing different classes of solids: carbon, molybdenum, lithium, and lithium fluoride. It is demonstrated that the corrected equations of state for both the liquid and solid phases show a significantly reduced dependence of the exchange-correlation functional used.

  7. Molecular dynamics simulation and ab intio studies of electrolytes and

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

    electrolyte/electrode interfaces | Department of Energy 2 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting PDF icon es058_bedrov_2012_p.pdf More Documents & Publications High Voltage Electrolytes for Li-ion Batteries Molecular Dynamics Simulation Studies of Electrolytes and Electrolyte/Electrode Interfaces

  8. Molecular dynamics simulation and ab intio studies of electrolytes and

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

    electrolyte/electrode interfaces | Department of Energy 1 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation PDF icon es058_smith_2011_o.pdf More Documents & Publications Molecular Dynamics Simulation Studies of Electrolytes and Electrolyte/Electrode Interfaces Molecular dynamics simulation studies of electrolytes and electrolyte/electrode interfaces

  9. Molecular dynamics simulation and ab intio studies of electrolytes...

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

    Evaluation Meeting PDF icon es058bedrov2012p.pdf More Documents & Publications High Voltage Electrolytes for Li-ion Batteries Molecular Dynamics Simulation Studies of ...

  10. Ab-initio modeling of electromechanical coupling at Si surfaces

    SciTech Connect (OSTI)

    Hoppe, Sandra; Mller, Stefan; Michl, Anja; Weissmller, Jrg

    2014-08-21

    The electromechanical coupling at the silicon (100) and (111) surfaces was studied via density functional theory by calculating the response of the ionization potential and the electron affinity to different types of strain. We find a branched strain response of those two quantities with different coupling coefficients for negative and positive strain values. This can be attributed to the reduced crystal symmetry due to anisotropic strain, which partially lifts the degeneracy of the valence and conduction bands. Only the Si(111) electron affinity exhibits a monotonously linear strain response, as the conduction band valleys remain degenerate under strain. The strain response of the surface dipole is linear and seems to be dominated by volume changes. Our results may help to understand the mechanisms behind electromechanical coupling at an atomic level in greater detail and for different electronic and atomic structures.

  11. Microsoft Word - S-Lee_absMarch11

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

    The logic employed starts from the assumption that the fragment yields are determined by a minimization of the Helmholtz free energy. As the real world realization do not fix the ...

  12. Operations, OPS, Accelerator and Beam Science, ABS, Accelerator...

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

    Mark Gulley Deputy Group Leader (Acting) Eron Kerstiens Office Administrator Trisha Gonzales Phone: (505) 667 5241 Operations Operations Successful operation of the LANSCE...

  13. Ab Initio X-ray Absorption Fine Structure Code

    Energy Science and Technology Software Center (OSTI)

    1992-07-01

    FEFF5.03 calculates single and multiple-scattering curved wave XAFS spectra, phase shifts and effective scattering amplitudes for cluster of atoms.

  14. Ab initio nuclear structure from lattice effective field theory

    SciTech Connect (OSTI)

    Lee, Dean

    2014-11-11

    This proceedings article reviews recent results by the Nuclear Lattice EFT Collaboration on an excited state of the {sup 12}C nucleus known as the Hoyle state. The Hoyle state plays a key role in the production of carbon via the triple-alpha reaction in red giant stars. We discuss the structure of low-lying states of {sup 12}C as well as the dependence of the triple-alpha reaction on the masses of the light quarks.

  15. Shallow Impurity Level Calculations in SemiconductorsUsingAb...

    Office of Scientific and Technical Information (OSTI)

    Sponsoring Org: USDOE Country of Publication: United States Language: English Word Cloud More Like This Free Publicly Accessible Full Text Publisher's Accepted Manuscript at...

  16. 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.

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

    SciTech Connect (OSTI)

    Caroline E. Burgess Clifford; Andre' Boehman; Chunshan Song; Bruce Miller; Gareth Mitchell

    2006-09-17

    This report summarizes the accomplishments toward project goals during the second six months of the third year of the project to assess the properties and performance of coal based products. 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. Specific areas of progress include generation of coal based material that has been fractionated into the desired refinery cuts and examination of carbon material, the use of a research gasoline engine to test coal-based gasoline, and modification of diesel engines for use in evaluating diesel produced in the project. At the pilot scale, the hydrotreating process was modified to separate the heavy components from the LCO and RCO fractions before hydrotreating in order to improve the performance of the catalysts in further processing. Characterization of the gasoline fuel indicates a dominance of single ring alkylcycloalkanes that have a low octane rating; however, blends containing these compounds do not have a negative effect upon gasoline when blended in refinery gasoline streams. Characterization of the diesel fuel indicates a dominance of 3-ring aromatics that have a low cetane value; however, these compounds do not have a negative effect upon diesel when blended in refinery diesel streams. Both gasoline and diesel continue to be tested for combustion performance. The desulfurization of sulfur containing components of coal and petroleum is being studied so that effective conversion of blended coal and petroleum streams can be efficiently converted to useful refinery products. Activated carbons have proven useful to remove the heavy sulfur components, and unsupported Ni/Mo and Ni/Co catalysts have been very effective for hydrodesulfurization. Equipment is now in place to begin fuel oil evaluations to assess the quality of coal based fuel oil. Combustion and characterization of the latest fuel oil (the high temperature fraction of RCO from the latest modification) indicates that the fraction is heavier than a No. 6 fuel oil. Combustion efficiency on our research boiler is {approx}63% for the heavy RCO fraction, lower than the combustion performance for previous co-coking fuel oils and No. 6 fuel oil. An additional coal has been procured and is being processed for the next series of delayed co-coking runs. Work continues on characterization of liquids and solids from co-coking of hydrotreated decant oils; liquid yields include more saturated and hydro- aromatics, while the coke quality varies depending on the conditions used. Pitch material is being generated from the heavy fraction of co-coking. Investigation of coal extraction as a method to produce RCO continues; the reactor modifications to filter the products hot and to do multi-stage extraction improve extraction yields from {approx}50 % to {approx}70%. Carbon characterization of co-cokes for use as various carbon artifacts continues.

  18. Tokamak reactor for treating fertile material or waste nuclear by-products

    DOE Patents [OSTI]

    Kotschenreuther, Michael T.; Mahajan, Swadesh M.; Valanju, Prashant M.

    2012-10-02

    Disclosed is a tokamak reactor. The reactor includes a first toroidal chamber, current carrying conductors, at least one divertor plate within the first toroidal chamber and a second chamber adjacent to the first toroidal chamber surrounded by a section that insulates the reactor from neutrons. The current carrying conductors are configured to confine a core plasma within enclosed walls of the first toroidal chamber such that the core plasma has an elongation of 1.5 to 4 and produce within the first toroidal chamber at least one stagnation point at a perpendicular distance from an equatorial plane through the core plasma that is greater than the plasma minor radius. The at least one divertor plate and current carrying conductors are configured relative to one another such that the current carrying conductors expand the open magnetic field lines at the divertor plate.

  19. Wastewater treatment with biomass carriers made from steelmaking by-product

    SciTech Connect (OSTI)

    Aritome, Kiyoshi; Miki, Osamu; Okuno, Yoshio

    1995-07-01

    It is economical to use microorganisms in wastewater treatment. In steelmaking, ammonia liquor from coke-oven plant, for example, is treated using microorganisms. To treat wastewater efficiently in biological processes, the following conditions are necessary: appropriate conditions for activities of microorganisms; proper concentration of microorganisms in reactor; effective contact of wastewater and microorganisms; and reliable separation of treated wastewater and microorganisms. Three types of biomass carriers made from granulated slag to satisfy these conditions have been developed. Research efforts have been under way to apply these carriers in reduction of COD (chemical oxygen demand) in wastewater. Developed biomass carriers can reduce the volume of COD oxidation reactor and promise easy operation compared with the conventional activated sludge processes. This result has been substantialized in sewage treatment facilities, factory wastewater treatment facilities and deodorization facilities. For the future, nitrate reduction in stainless pickling wastewater with fixed-bed biomass carriers will be also investigated.

  20. REFINERY INTEGRATION OF BY-PRODUCTS FROM COAL-DERIVED JET FUELS

    SciTech Connect (OSTI)

    Leslie R. Rudnick; Andre Boehman; Chunshan Song; Bruce Miller; Gareth Mitchell

    2005-05-18

    This report summarizes the accomplishments toward project goals during the first six months of the second year of the project to assess the properties and performance of coal based products. 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. Specific areas of progress include generation of coal based material that has been fractionated into the desired refinery cuts, acquisition and installation of a research gasoline engine, and modification of diesel engines for use in evaluating diesel produced in the project. The desulfurization of sulfur containing components of coal and petroleum is being studied so that effective conversion of blended coal and petroleum streams can be efficiently converted to useful refinery products. Equipment is now in place to begin fuel oil evaluations to assess the quality of coal based fuel oil. Coal samples have procured and are being assessed for cleaning prior to use in coking studies.