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At least 1,369 records · Page 76
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DOE OSTI2011

California GAMA Special Study: Stable isotopic composition of groundwater boron – Analytical method development

Boron is a ubiquitous dissolved constituent in natural waters due to its high solubility, natural occurrence in continental crust, and anthropogenic use in fertilizers, consumer products, and other non-natural sources. The two stable isotopes of boron, 10 B and 11 B (natural abundances ≈ 19.9 and ≈ 80.1 atom percent, respectively), undergo isotopic fractionation due to a variety of chemical processes related to boron speciation ( 10 B is preferentially incorporated into B(OH) 4 - versus B(OH) 3 , e.g. Byrne et al., 2006). The isotopic composition of dissolved boron in groundwater can be used to determine the source(s) of boron; this information can be used to infer the source(s) of other co-migrating contaminants (e.g. nitrate, pharmaceuticals, etc.). Boron behaves as a conservative element in groundwater and surface water systems (Barth, 2000), and the isotopic signature of boron is most useful in conjunction with other stable and radiogenic isotope systems (e.g. δ 18 O, δ 15 N, δ 13 C, 87 Sr/ 86 Sr; Tirez et al., 2010; Widory et al., 2004; Widory et al., 2005) to determine the source(s) of contaminants of interest. We present here a method for boron purification in natural water samples (groundwater, surface water, and seawater) by ion exchange chemistry and measurement of boron isotopic composition by MC-ICP-MS. These methods can be applied to samples with boron concentrations as low as 10 ppb with precision on δ 11 B measurements better than ± 1 ‰. We utilize boron isotopic measurements of boric acid, groundwater, and seawater standards to validate the methods. We also present boron isotopic measurements of San Diego County domestic well samples to demonstrate how these methods can be applied to any study of natural water samples.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2013

Joint IAEA/NNSA International Workshop Nuclear Forensics Methodologies for Practitioners 2013 Scenario Based Exercise – Version 4.0 Instructor’s Manual

[Participants will serve as border guards for Reimerland. They will be given brief instruction on the operation of hand-held RadioIsotope DetectorS (RIDS) and be provided an intelligence briefing that tells them to be on the lookout for suspicious activity at their post. Their instruction will include directing suspicious vehicles to a location for secondary screening. If, after secondary screening, suspicions of a criminal act involving nuclear and or radioactive materials remain, participants have been instructed to request assistance from the NLEA, who will then setup and manage a radiological crime scene. Participants will watch a demonstration of two vehicles containing radioactive materials driving through and setting off a portal monitor. The first vehicle, a semi-tractor trailer, sets off only a gamma alarm. After the driver provides a shipping manifest of fertilizer, participants, posing as border guards, are expected to waive this vehicle through inspection. The second vehicle, an SUV, set off both gamma and 2 neutron alarms. The alarming of the neutron monitor should prompt participants to set up a secondary inspection of the vehicle immediately. The driver of the vehicle indicates he is in legal possession of an industrial instrument containing an old 133Ba source that has decayed to a level no longer requiring official paperwork according to the IAEA and internationally accepted transportation regulations. Authorities have verified that the industrial source does fit the description of one that is sold commercially. However, upon setting up a secondary screening, participants will use hand-held detectors to locate several other radioactive sources emanating from a black duffle bag in the rear of the vehicle (Figure 1). Hand held detectors detect the presence of 133Ba, and Pu. Upon questioning, the driver only commits to having the 133Ba industrial source and cannot account for the detection of neutrons within his vehicle. Since neutron alarms also sounded, participants should indicate that a neutron alarm would be inconsistent with a 133Ba source alone and should therefore conclude further investigation is warranted. This will prompt participants to call in a response team from the NLEA to set up a radiological crime scene around the vehicle in question. The response team is able to shoot a 3-D X-ray radiograph of the duffle bag without moving it to ensure it is rendered safe and moveable without disturbing the contents in the field (Figure 2). At this point, the duffle bag is entered into inventory as evidence and a chain of custody form is initiated. Swipes are taken from the outer bag to confirm there is no dispersible contamination. The bag and its contents are considered valuable for the investigation by the lead investigator. He determines the duffle bag is safe to transport to RRL for evidence inventory and analysis. The duffle bag and its contents are packaged and sent off to the RRL.]

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2014

Organic Matter Composition, Recycling Susceptibility, and the Effectiveness of the Biological Pump – An Evaluation Using NMR Spectra of Marine Plankton

Carbon (C) sequestration through fertilization of phytoplankton with micronutrients and enhancement of the absorption and retention of atmospheric C by ocean biota heavily depends on the efficiency of the “biological pump”. The long-term effectiveness of this strategy depends on a net transfer of C from the upper ocean-atmosphere system to the deep ocean where the C is removed from contact with the atmosphere for an extended period of time. This C removal can be equated to the amount of C fixation by phytoplankton minus the C cycling and regeneration in the euphotic zone. If the regeneration efficiency is increased, then despite increased C fixation, no net loss (sequestration) of C will result. A reduction in cycling efficiency in the euphotic zone, on the other hand, will increase the effectiveness of the “biological pump” and thus C sequestration. The degree of organic matter biodegradation and recycling depends on the “reactivity” of compounds synthesized by the biota, which in turn, is controlled by the structural characteristic of these compounds. There is considerable evidence that different phytoplankton taxa differ substantially in their biogeochemical characteristics and it is likely that the relative abundance of different compounds synthesized by these distinct taxa, and even within each group at different growth conditions, will differ too. This variability in biosynthesis and thus abundance of a wide range of organic compounds in the water column would lend itself to different susceptibility for biodegradation and regeneration. Knowledge of the distribution of various organic matter structural groups synthesized by distinct taxa, the dependence of the organic matter compound classes on different growth conditions (temperature, light, nutrients) and the selective susceptibility of these compound to regeneration is crucial for estimating the potential for rapid regeneration in the euphotic zone, and thus the effectiveness of the “biological pump”.

58 GEOSCIENCES↗
DOE OSTI2013

Montana Integrated Carbon to Liquids (ICTL) Demonstration Program

Integrated carbon-to-liquids technology (ICTL) incorporates three basic processes for the conversion of a wide range of feedstocks to distillate liquid fuels: (1) Direct Microcatalytic Coal Liquefaction (MCL) is coupled with biomass liquefaction via (2) Catalytic Hydrodeoxygenation and Isomerization (CHI) of fatty acid methyl esters (FAME) or trigylceride fatty acids (TGFA) to produce liquid fuels, with process derived (3) CO 2 Capture and Utilization (CCU) via algae production and use in BioFertilizer for added terrestrial sequestration of CO 2 , or as a feedstock for MCL and/or CHI. This novel approach enables synthetic fuels production while simultaneously meeting EISA 2007 Section 526 targets, minimizing land use and water consumption, and providing cost competitive fuels at current day petroleum prices. ICTL was demonstrated with Montana Crow sub-bituminous coal in MCL pilot scale operations at the Energy and Environmental Research Center at the University of North Dakota (EERC), with related pilot scale CHI studies conducted at the University of Pittsburgh Applied Research Center (PARC). Coal-Biomass to Liquid (CBTL) Fuel samples were evaluated at the US Air Force Research Labs (AFRL) in Dayton and greenhouse tests of algae based BioFertilizer conducted at Montana State University (MSU). Econometric modeling studies were also conducted on the use of algae based BioFertilizer in a wheat-camelina crop rotation cycle. We find that the combined operation is not only able to help boost crop yields, but also to provide added crop yields and associated profits from TGFA (from crop production) for use an ICTL plant feedstock. This program demonstrated the overall viability of ICTL in pilot scale operations. Related work on the Life Cycle Assessment (LCA) of a Montana project indicated that CCU could be employed very effectively to reduce the overall carbon footprint of the MCL/CHI process. Plans are currently being made to conduct larger-scale process demonstration studies of the CHI process in combination with CCU to generate synthetic jet and diesel fuels from algae and algae fertilized crops. Site assessment and project prefeasibility studies are planned with a major EPC firm to determine the overall viability of ICTL technology commercialization with Crow coal resources in south central Montana.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2014

Performance Refactoring of Instrumentation, Measurement, and Analysis Technologies for Petascale Computing. The PRIMA Project

The growing number of cores provided by today’s high-­end computing systems present substantial challenges to application developers in their pursuit of parallel efficiency. To find the most effective optimization strategy, application developers need insight into the runtime behavior of their code. The University of Oregon (UO) and the Juelich Supercomputing Centre of Forschungszentrum Juelich (FZJ) develop the performance analysis tools TAU and Scalasca, respectively, which allow high-­performance computing (HPC) users to collect and analyze relevant performance data – even at very large scales. TAU and Scalasca are considered among the most advanced parallel performance systems available, and are used extensively across HPC centers in the U.S., Germany, and around the world. The TAU and Scalasca groups share a heritage of parallel performance tool research and partnership throughout the past fifteen years. Indeed, the close interactions of the two groups resulted in a cross-­fertilization of tool ideas and technologies that pushed TAU and Scalasca to what they are today. It also produced two performance systems with an increasing degree of functional overlap. While each tool has its specific analysis focus, the tools were implementing measurement infrastructures that were substantially similar. Because each tool provides complementary performance analysis, sharing of measurement results is valuable to provide the user with more facets to understand performance behavior. However, each measurement system was producing performance data in different formats, requiring data interoperability tools to be created. A common measurement and instrumentation system was needed to more closely integrate TAU and Scalasca and to avoid the duplication of development and maintenance effort. The PRIMA (Performance Refactoring of Instrumentation, Measurement, and Analysis) project was proposed over three years ago as a joint international effort between UO and FZJ to accomplish these objectives: (1) refactor TAU and Scalasca performance system components for core code sharing and (2) integrate TAU and Scalasca functionality through data interfaces, formats, and utilities. As presented in this report, the project has completed these goals. In addition to shared technical advances, the groups have worked to engage with users through application performance engineering and tools training. In this regard, the project benefits from the close interactions the teams have with national laboratories in the United States and Germany. We have also sought to enhance our interactions through joint tutorials and outreach. UO has become a member of the Virtual Institute of High-­Productivity Supercomputing (VI-­HPS) established by the Helmholtz Association of German Research Centres as a center of excellence, focusing on HPC tools for diagnosing programming errors and optimizing performance. UO and FZJ have conducted several VI-­HPS training activities together within the past three years.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Safety and Regulatory Issues of the Thorium Fuel Cycle

Thorium has been widely considered an alternative to uranium fuel because of its relatively large natural abundance and its ability to breed fissile fuel (233U) from natural thorium (232Th). Possible scenarios for using thorium in the nuclear fuel cycle include use in different nuclear reactor types (light water, high temperature gas cooled, fast spectrum sodium, molten salt, etc.), advanced accelerator-driven systems, or even fission-fusion hybrid systems. The most likely near-term application of thorium in the United States is in currently operating light water reactors (LWRs). This use is primarily based on concepts that mix thorium with uranium (UO2 + ThO2), add fertile thorium (ThO2) fuel pins to LWR fuel assemblies, or use mixed plutonium and thorium (PuO2 + ThO2) fuel assemblies. The addition of thorium to currently operating LWRs would result in a number of different phenomenological impacts on the nuclear fuel. Thorium and its irradiation products have nuclear characteristics that are different from those of uranium. In addition, ThO2, alone or mixed with UO2 fuel, leads to different chemical and physical properties of the fuel. These aspects are key to reactor safety-related issues. The primary objectives of this report are to summarize historical, current, and proposed uses of thorium in nuclear reactors; provide some important properties of thorium fuel; perform qualitative and quantitative evaluations of both in-reactor and out-of-reactor safety issues and requirements specific to a thorium-based fuel cycle for current LWR reactor designs; and identify key knowledge gaps and technical issues that need to be addressed for the licensing of thorium LWR fuel in the United States.

LWR Fuel↗
DOE OSTI2014

Development of a Low Input and sustainable Switchgrass Feedstock Production System Utilizing Beneficial Bacterial Endophytes

Switchgrass represents a promising feedstock crop for US energy sustainability. However, its broad utilization for bioenergy requires improvements of biomass yields and stress tolerance. In this DOE funded project, we have been working on harnessing beneficial bacterial endophytes to enhance switchgrass performance and to develop a low input feedstock production system for marginal lands that do not compete with the production of food crops. We have demonstrated that one of most promising plant growth-promoting bacterial endophytes, Burkholderia phytofirmans strain PsJN, is able to colonize roots and significantly promote growth of switchgrass cv. Alamo under in vitro, growth chamber, greenhouse, as well as field conditions. Furthermore, PsJN bacterization improved growth and development of switchgrass seedlings, significantly stimulated plant root and shoot growth, and tiller number in the field, and enhanced biomass accumulation on both poor (p<0.001) and rich (p<0.05) soils, with more effective stimulation of plant growth in low fertility soil. Plant physiology measurements showed that PsJN inoculated Alamo had consistently lower transpiration, lower stomatal conductance, and higher water use efficiency in greenhouse conditions. These physiological changes may significantly contribute to the recorded growth enhancement. PsJN inoculation rapidly results in an increase in photosynthetic rates which contributes to the advanced growth and development. Some evidence suggests that this initial growth advantage decreases with time when resources are not limited such as in greenhouse studies. Additionally, better drought resistance and drought hardening were observed in PsJN inoculated switchgrass. Using the DOE-funded switchgrass EST microarray, in a collaboration with the Genomics Core Facility at the Noble Foundation, we have determined gene expression profile changes in both responsive switchgrass cv. Alamo and non-responsive cv. Cave-in-Rock (CR) following PsJN bacterization. With the MapMan software to analyze microarray data, the number of up- and down-regulated probes was calculated. The number of up-regulated probes in Alamo was 26, 14, 14, and 12% at 0.5, 2, 4 and 8 days after inoculation (DAI) with PsJN, respectively while the corresponding number in CR was 24, 22, 21, and 19%, respectively. In both cultivars, the largest number of up-regulated probes occurred at 0.5 DAI. Noticeable differences throughout the timeframe between Alamo and CR were that the number was dramatically decreased to half (12%) in Alamo but remained high in CR (approximately 20%). The number of down regulated genes demonstrated different trends in Alamo and CR. Alamo had an increasing trend from 9% at 0.5 DAI to 11, 17, and 28% at 2, 4, and 8 DAI, respectively. However, CR had 13% at 0.5 and 2 DAI, and declined to 10% at 4 and 8 DAI. With the aid of MapMan and PageMan, we mapped the response of the ID probes to the observed major gene regulatory network and major biosynthetic pathway changes associated with the beneficial bacterial endophyte infection, colonization, and early growth promotion process. We found significant differences in gene expression patterns between responsive and non-responsive cultivars in many pathways, including redox state regulation, signaling, proteolysis, transcription factors, as well as hormone (SA and JA in particular)-associated pathways. Form microarray data, a total of 50 key genes have been verified using qPCR. Ten of these genes were chosen for further functional study via either overexpression and/or RNAi knockout technologies. These genes were calmodulin-related calcium sensor protein (CAM), glutathione S-transferase (GST), histidine-containing phosphotransfer protein (H-221), 3 different zinc finger proteins (ZF-371, ZF131 and ZF242), EF hand transcription factor (EF-622), peroxidase, cellulose synthase catalytic submit A2 (CESA2), and Aux/IAA family. A total of 8 overexpression and 5 RNAi transgenic plants have been regenerated, and their gene expression levels determined using qPCR. Consequently high, medium and low expression lines were propagated in vitro for gene function study. When adequate numbers of individual transgenic lines were obtained, they were challenged with PsJN to see if PsJN promotes or inhibits growth of transgenic plants. Our results demonstrated that EF-622 overexpression, ZF-371, GST, H-221 and CAM RNAi transgenic lines lost responses to PsJN, i.e. PsJN had no growth promotive effects on these transgenic plants. Further study needs to be done to characterize this loss of responsiveness to PsJN. During this funding period, we have done more work related to this funded project and established collaborations with other institutions and obtained some interesting results, building a foundation for further research projects. For example, we isolated a naturally-occurring bacterium from surface-sterilized switchgrass seeds, identified as a unique Panteoa agglomerans species, and named strain PaKM. PaKM has been proved to be an efficient growth promoter of switchgrass over a broad spectrum of genotypes and has potential in applications with low input and sustainable production systems on marginal lands. In collaboration with Dr. Shuijin Hu (North Carolina State University), we conducted experiments on how endophyte-inoculated switchgrass affects soil N and P availability and the number of AMF in roots. Our preliminary results showed that PsJN increased AMF infection of switchgrass roots, and enhanced soil N availability and soil N mineralization on a low nutrient field. Further study of this phenomenon on different soils, over longer time periods, is needed to assess its potential impact on the productivity and longevity of switchgrass stands.

09 BIOMASS FUELS↗
DOE OSTI2014

Development and Deployment of a Short Rotation Woody Crops Harvesting System Based on a Case New Holland Forage Harvester and SRC Woody Crop Header

Biomass for biofuels, bioproducts and bioenergy can be sourced from forests, agricultural crops, various residue streams, and dedicated woody or herbaceous crops. Short rotation woody crops (SRWC), like willow and hybrid poplar, are perennial cropping systems that produce a number of environmental and economic development benefits in addition to being a renewable source of biomass that can be produced on marginal land. Both hybrid poplar and willow have several characteristics that make them an ideal feedstock for biofuels, bioproducts, and bioenergy; these include high yields that can be obtained in three to four years, ease of cultivar propagation from dormant cuttings, a broad underutilized genetic base, ease of breeding, ability to resprout after multiple harvests, and feedstock composition similar to other sources of woody biomass. Despite the range of benefits associated with SRWC systems, their deployment has been restricted by high costs, low market acceptance associated with inconsistent chip quality (see below for further explanation), and misperceptions about other feedstock characteristics (see below for further explanation). Harvesting of SRWC is the largest single cost factor (~1/3 of the final delivered cost) in the feedstock supply system. Harvesting is also the second largest input of primary fossil energy in the system after commercial N fertilizer, accounting for about one third of the input. Therefore, improving the efficiency of the harvesting system has the potential to reduce both cost and environmental impact. At the start of this project, we projected that improving the overall efficiency of the harvesting system by 25% would reduce the delivered cost of SRWC by approximately $0.50/MMBtu (or about $7.50/dry ton). This goal was exceeded over the duration of this project, as noted below.

09 BIOMASS FUELS↗
DOE OSTI2014

Overview of different aspects of climate change effects on soils

Climate change [i.e., high atmospheric carbon dioxide (CO 2 ) concentrations (≥400 ppm); increasing air temperatures (2-4°C or greater); significant and/or abrupt changes in daily, seasonal, and inter-annual temperature; changes in the wet/dry cycles; intensive rainfall and/or heavy storms; extended periods of drought; extreme frost; heat waves and increased fire frequency] is and will significantly affect soil properties and fertility, water resources, food quantity and quality, and environmental quality. Biotic processes that consume atmospheric CO 2 and create organic carbon (C) that is either reprocessed to CO 2 or stored in soils, are the subject of active current investigations with great concern over the influence of climate change. In addition, abiotic C cycling and its influence on the inorganic C pool in soils is a fundamental global process in which acidic atmospheric CO 2 participates in the weathering of carbonate and silicate minerals, ultimately delivering bicarbonate and Ca 2 + or other cations that precipitate in the form of carbonates in soils or are transported to the rivers, lakes, and oceans. Soil responses to climate change will be complex, and there are many uncertainties and unresolved issues. The objective of the review is to initiate and further stimulate a discussion about some important and challenging aspects of climate-change effects on soils, such as accelerated weathering of soil minerals and resulting C and elemental fluxes in and out of soils, soil/geo-engineering methods used to increase C sequestration in soils, soil organic matter (SOM) protection, transformation and mineralization, and SOM temperature sensitivity. This review reports recent discoveries and identifies key research needs required to understand the effects of climate change on soils.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Feasibility and Safety Assessment for Advanced Reactor Concepts Using Vented Fuel

Recent interest in fast reactor technology has led to renewed analysis of past reactor concepts such as Gas Fast Reactors and Sodium Fast Reactors. In an effort to make these reactors more economic, the fuel is required to stay in the reactor for extended periods of time; the longer the fuel stays within the core, the more fertile material is converted into usable fissile material. However, as burnup of the fuel-rod increases, so does the internal pressure buildup due to gaseous fission products. In order to reach the 30 year lifetime requirements of some reactor designs, the fuel pins must have a vented-type design to allow the buildup of fission products to escape. The present work aims to progress the understanding of the feasibility and safety issues related to gas reactors that incorporate vented fuel. The work was separated into three different work-scopes: 1. Quantitatively determine fission gas release from uranium carbide in a representative helium cooled fast reactor; 2. Model the fission gas behavior, transport, and collection in a Fission Product Vent System; and, 3. Perform a safety analysis of the Fission Product Vent System. Each task relied on results from the previous task, culminating in a limited scope Probabilistic Risk Assessment (PRA) of the Fission Product Vent System. Within each task, many key parameters lack the fidelity needed for comprehensive or accurate analysis. In the process of completing each task, the data or methods that were lacking were identified and compiled in a Gap Analysis included at the end of the report.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

Self-Sustaining Thorium Boiling Water Reactors

The primary objectives of this project are to: Perform a pre-conceptual design of a core for an alternative to the Hitachi proposed fuel-self- sustaining RBWR-AC, to be referred to as a RBWR-Th. The use of thorium fuel is expected to assure negative void coefficient of reactivity (versus positive of the RBWR-AC) and improve reactor safety; Perform a pre-conceptual design of an alternative core to the Hitachi proposed LWR TRU transmuting RBWR-TB2, to be referred to as the RBWR-TR. In addition to improved safety, use of thorium for the fertile fuel is expected to improve the TRU transmutation effectiveness; Compare the RBWR-Th and RBWR-TR performance against that of the Hitachi RBWR core designs and sodium cooled fast reactor counterparts - the ARR and ABR; and, Perform a viability assessment of the thorium-based RBWR design concepts to be identified along with their associated fuel cycle, a technology gap analysis, and a technology development roadmap. A description of the work performed and of the results obtained is provided in this Overview Report and, in more detail, in the Attachments. The major findings of the study are summarized.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

Final technical report for: Insertional Mutagenesis of Brachypodium distachyon DE-AI02-07ER64452

Several bioenergy grasses are poised to become a major source of energy in the United States. Despite their increasing importance, we know little about the basic biology underlying the traits that control the utility of grasses as energy crops. Better knowledge of grass biology (e.g. identification of the genes that control cell wall composition, plant architecture, cell size, cell division, reproduction, nutrient uptake, carbon flux, etc.) could be used to design rational strategies for crop improvement and shorten the time required to domesticate these species. The use of an appropriate model system is an efficient way to gain this knowledge. Brachypodium distachyon is a small annual grass with all the attributes needed to be a modern model organism including simple growth requirements, fast generation time, small stature, small genome size and self-fertility. These attributes led to the recommendation in the DOE’s “Breaking the Biological Barriers to Cellulosic Ethanol: A Joint Research Agenda” report to propose developing and using B. distachyon as a model for energy crops to accelerate their domestication. Strategic investments (e.g. genome sequencing) in B. distachyon by the DOE are now bearing fruit and B. distachyon is being used as a model grass by hundreds of laboratories worldwide. Sequence indexed insertional mutants are an extremely powerful tool for both forward and reverse genetics. They allow researchers to order mutants in any gene tagged in the collection by simply emailing a request. The goal of this project was to create a collection of sequence indexed insertional mutants (T-DNA lines) for the model grass Brachypodium distachyon in order to facilitate research by the scientific community. During the course of this grant we created a collection of 23,649 B. distachyon T-DNA lines and identified 26,112 unique insertion sites. The collection can be queried through the project website (http://jgi.doe.gov/our-science/science-programs/plant-genomics/brachypodium/brachypodium-t-dna-collection/) and through the Phytozome genome browser (http://phytozome.jgi.doe.gov/pz/portal.html). The collection has been heavily utilized by the research community and, as of October 23, 2015, 223 orders for 12,069 seeds packets have been filled. In addition to creating this resource, we also optimized methods for transformation and sequencing DNA flanking insertion sites.

09 BIOMASS FUELS↗
DOE OSTI2016

Quantum Chemistry via Walks in Determinant Space

There are many chemical questions of practical interest to the DOE that could be answered if there were an electronic structure method that provided consistently accurate results for all systems at an affordable computational cost. The coupled cluster method with single, double and perturbative triple excitations (CCSD(T)) is the most frequently used high-order method, but it has known deficiencies, e.g., in the description of stretched bonds. The full configuration interaction (FCI) method is the most robust method for treating electronic correlations, but it is little used because its computational cost scales exponentially in the size of the system. The largest calculation that has been done to date employed 10 billion determinants. In this regard, there was a major advance in 2010. The Alavi group at Cambridge University developed a stochastic approach to FCI --- combining it with ideas from quantum Monte Carlo (QMC) --- called FCIQMC, that allows one to go to a far larger number of determinants in certain circumstances. The computational cost is exponential in the system and basis size but with a much reduced exponent compared to conventional FCI. In this project Umrigar's group made several major improvements to the FCIQMC method that increased its efficiency by many orders of magnitude. In addition this project resulted in a cross-fertilization of ideas between the FCIQMC method, the older phaseless auxilliary-field quantum Monte Carlo (AFQMC) method developed by Zhang and Krakauer (two of the PI's of this project), and symmetry-restored wavefunctions developed by Scuseria (also a PI of this project).

36 MATERIALS SCIENCE↗
DOE OSTI2015

Advanced Burner Reactor with Breed-and-Burn Thorium Blankets for Improved Economics and Resource Utilization

This study assesses the feasibility of designing Seed and Blanket (S&B) Sodium-cooled Fast Reactor (SFR) to generate a significant fraction of the core power from radial thorium fueled blankets that operate on the Breed-and-Burn (B&B) mode without exceeding the radiation damage constraint of presently verified cladding materials. The S&B core is designed to maximize the fraction of neutrons that radially leak from the seed (or “driver”) into the subcritical blanket and reduce neutron loss via axial leakage. The blanket in the S&B core makes beneficial use of the leaking neutrons for improved economics and resource utilization. A specific objective of this study is to maximize the fraction of core power that can be generated by the blanket without violating the thermal hydraulic and material constraints. Since the blanket fuel requires no reprocessing along with remote fuel fabrication, a larger fraction of power from the blanket will result in a smaller fuel recycling capacity and lower fuel cycle cost per unit of electricity generated. A unique synergism is found between a low conversion ratio (CR) seed and a B&B blanket fueled by thorium. Among several benefits, this synergism enables the very low leakage S&B cores to have small positive coolant voiding reactivity coefficient and large enough negative Doppler coefficient even when using inert matrix fuel for the seed. The benefits of this synergism are maximized when using an annular seed surrounded by an inner and outer thorium blankets. Among the high-performance S&B cores designed to benefit from this unique synergism are: (1) the ultra-long cycle core that features a cycle length of ~7 years; (2) the high-transmutation rate core where the seed fuel features a TRU CR of 0.0. Its TRU transmutation rate is comparable to that of the reference Advanced Burner Reactor (ABR) with CR of 0.5 and the thorium blanket can generate close to 60% of the core power; but requires only one sixth of the reprocessing and fabrication capacity per unit of core power. Nevertheless, these high-performance cores were designed to set upper bounds on the S&B core performance by using larger height and pressure drop than those of typical SFR design. A study was subsequently undertaken to quantify the tradeoff between S&B core design variables and the core performance. This study concludes that a viable S&B core can be designed without significant deviation from SFR core design practices. For example, the S&B core with 120cm active height will be comparable in volume, HM mass and specific power with the S-PRISM core and could fit within the S-PRISM reactor vessel. 43% of this core power will be generated by the once-through thorium blanket; the required capacity for reprocessing and remote fuel fabrication per unit of electricity generated will be approximately one fifth of that for a comparable ABR. The sodium void worth of this 120cm tall S&B core is significantly less positive than that of the reference ABR and the Doppler coefficient is only slightly smaller even though the seed uses a fertile-free fuel. The seed in the high transmutation core requires inert matrix fuel (TRU-40Zr) that has been successfully irradiated by the Fuel Cycle Research & Development program. An additional sensitivity analysis was later conducted to remove the bias introduced by the discrepancy between radiation damage constraints -- 200 DPA applied for S&B cores and fast fluence of 4x1023 n(>0.1MeV)/cm2 applied for ABR core design. Although the performance characteristics of the S&B cores are sensitive to the radiation damage constraint applied, the S&B cores offer very significant performance improvements relative to the conventional ABR core design when using identical constraint.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2013

East Kentucky Bioenergy Capacity Assessment Project

When you look across the landscape of Kentucky you will find a very diverse topography. In the western portions of the state you will find fertile and gently rolling soils that are prime land for traditional row crop production. As you move east towards the Appalachian Mountains the terrain becomes increasing roughed and less productive soils. One of the primary objectives of Morehead State University is to serve the eastern Kentucky population of Kentucky. Fitting within that mission is identifying new opportunities for people living in this region. With the passing of the Renewable Fuels Standard in 2005 there was a focus put on the production of biomass crops that can be used in the production of ethanol and cellulosic ethanol. The majority of US ethanol production is derived from corn. The eastern portion of Kentucky is not well suited for corn production, but might be a location for other biomass crops to be produced. Additionally, many farmers in the region were looking for alternative crops to tobacco that might be well suited for the region.

09 BIOMASS FUELS↗
DOE OSTI2016

A search for the decay of a B meson into a kaon and a tau lepton pair at the BaBar experiment

The flavour changing neutral current (FCNC) process, $B^+$ → $K^+ τ^+ τ^-$ highly suppressed in the Standard Model (SM). This decay is forbidden at tree level and only occurs at lowest order via one-loop diagrams.$B^+$ → $K^+ τ^+ τ^-$ thus has the potential to provide a stringent test of the SM and a fertile ground for new physics searches. Contributions due to virtual particles in the loop allow one to probe, at relatively low energies, new physics at large mass scales. We search for the rare FCNC process $B^+$ → $K^+ τ^+ τ^-$ using data collected by the BaBaR detector at the SLAC National Accelerator Laboratory. The BaBaR data sample corresponds to a total integrated luminosity, at the energy of the Τ(4S) resonance, of 424.4 $fb^-1$ and 471 million $B\bar{B}$ pairs. For this search, hadronic $B_{tag}$ reconstruction is employed, where one B is exclusively reconstructed via one of many possible hadronic modes. The remaining decay products in an event are then attributed to the signal B, on which the search for $B^+$ → $K^+ τ^+ τ^-$ is performed. Each τ is required to decay leptonically, into either an electron or a muon and the lepton neutrinos. Furthermore, a multi-variate analysis technique (neural network) is used to select for signal events and suppress dominant background modes. No significant signal is observed. The resulting branching fraction is measured to be $\beta(B^+$ → $K^+ τ^+)$ = $1.31^{0:66}_{-0:61}$(stat.) $^{+0:35}_{-0:25}$(sys.) x 10$^{-3}$, which is consistent with zero at the 1.9σ level, with an upper limit of 2.25 x 10$^{-3}$, at the 90% confidence level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Lifecycle analysis of renewable natural gas and hydrocarbon fuels from wastewater treatment plants’ sludge

Wastewater treatment plants (WWTPs) produce sludge as a byproduct when they treat wastewater. In the United States, over 8 million dry tons of sludge are produced annually just from publicly owned WWTPs. Sludge is commonly treated in anaerobic digesters, which generate biogas; the biogas is then largely flared to reduce emissions of methane, a potent greenhouse gas. Because sludge is quite homogeneous and has a high energy content, it is a good potential feedstock for other conversion processes that make biofuels, bioproducts, and power. For example, biogas from anaerobic digesters can be used to generate renewable natural gas (RNG), which can be further processed to produce compressed natural gas (CNG) and liquefied natural gas (LNG). Sludge can be directly converted into hydrocarbon liquid fuels via thermochemical processes such as hydrothermal liquefaction (HTL). Currently, the environmental impacts of converting sludge into energy are largely unknown, and only a few studies have focused on the environmental impacts of RNG produced from existing anaerobic digesters. As biofuels from sludge generate high interest, however, existing anaerobic digesters could be upgraded to technology with more economic potential and more environmental benefits. The environmental impacts of using a different anaerobic digestion (AD) technology to convert sludge into energy have yet to be analyzed. In addition, no studies are available about the direct conversion of sludge into liquid fuels. In order to estimate the energy consumption and greenhouse gas (GHG) emissions impacts of these alternative pathways (sludge-to-RNG and sludge-to-liquid), this study performed a lifecycle analysis (LCA) using the Greenhouse gases, Regulated Emissions, and Energy use in Transportation (GREET®) model. The energy uses and GHG emissions associated with the RNG and hydrocarbon liquid are analyzed relative to the current typical sludge management case, which consists of a single-stage mesophilic digester with biogas flaring. Along with the alternative HTL process, four types of AD technologies with fuel production—single-stage mesophilic, mesophilic 2-stage, single-stage mesophilic with thermohydrolysis treatment, and mesophilicmesophilic acid/gas phase—are studied. Results show that the sludge-to-CNG pathway via AD and the sludge-to-liquid pathway via HTL reduce GHG emissions consumptions significantly. When we compare the GHG emissions of the alternative fuel production pathways to that of the counterfactual case in terms of the amount of sludge treated, reductions in GHG emissions are 39%–80% and 87% for alternative AD and HTL, respectively. Compared to petroleum gasoline and diesel GHG emission results in terms of MJ, the renewable CNG production pathway via AD and the renewable diesel production pathway via HTL reduce GHG emissions by 193% and 46%, respectively. These large reductions are mainly due to GHG credits from avoiding GHGs under the counterfactual scenario, and/or fertilizer displacement credits. Similarly, reductions in fossil fuel use for sludge-based fuels are huge. However, well-defined counterfactual scenarios are needed because the results of the study depend on the counterfactual scenario, which might vary over time.

03 NATURAL GAS↗
DOE OSTI2016

Proposal to support the 4th international conference on nitrification and related processes (ICoN4)

The 4th International Conference on Nitrification and Related Processes (ICoN4) commencing between June 27 and July 1, 2015, at the University of Alberta in Edmonton, Alberta, Canada brings together an international collection of academic, government, and private sector researchers of the global biogeochemical nitrogen cycle to share their scientific discoveries, innovations and pertinent societal impacts. The classical understanding of “nitrification” describes the two-step transformation of ammonium to nitrite and nitrite to nitrate; however, we now know from the analysis genome sequences, the application of ‘omics technologies, microbial ecology, biogeochemistry, and microbial physiology that the transformation of ammonium is not performed by a few particular groups of microorganisms nor is it confined to oxic environments. Past ICoN meetings have explored the interconnections between ammonium- and nitrite-consuming processes in all ecosystems, the emission of greenhouse gases by these processes and their control, and the intersection between intermediates of the nitrification process and other elemental cycles; this has generated tremendous progress in our understanding of the global nitrogen cycle and it has generated excitement in the next generation of N cycle researchers. Nitrification research has a long-standing connection to the Community Science Program of the DOE. Between 1999 and 2001, the JGI generated the first genome sequence of an ammonia-oxidizing bacterium, Nitrosomonas europaea ATCC 19718, and it has subsequently sequenced, or is in the process of sequencing over 50 additional genomes from ammonia-oxidizing bacteria, nitrite-oxidizing bacteria, and ammonia-oxidizing archaea. Autotrophic ammonia- and nitrite-transforming microorganisms play also a critical role in carbon cycling and sequestration in nearly all ecosystems. Not only do they control the concentration and speciation of biologically available N to plants and other microorganisms, nitrification is also the source of the various forms of nitrogen pollution. Nitrate pollution from over-fertilization of managed soils causes eutrophication and the reduction of nitrate and nitrate also results in emission of N2O, a denitrification process that leads to the accumulation of this major greenhouse gas in the atmosphere. Anaerobic ammonia oxidation (anammox) and nitrite-driven anaerobic methane oxidation (n-DAMO) are involved in the transformation of ammonium, nitrite, and nitrate to dinitrogen without N2O as an intermediate, acting as mitigating processes to nitrification. Along with the vast international participation in the ICoN conferences, encouragement and inclusion of early career investigators and graduate students is viewed as critical to the continued success of our discipline.

42 ENGINEERING↗