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All sourcesNASA NTRSDOE OSTI
NASA NTRS1982

Wind turbine siting: A summary of the state of the art

The process of siting large wind turbines may be divided into two broad steps: site selection, and site evaluation. Site selection is the process of locating windy sites where wind energy development shows promise of economic viability. Site evaluation is the process of determining in detail for a given site the economic potential of the site. The state of the art in the first aspect of siting, site selection is emphasized. Several techniques for assessing the wind resource were explored or developed in the Federal Wind Energy Program. Local topography and meteorology will determine which of the techniques should be used in locating potential sites. None of the techniques can do the job alone, none are foolproof, and all require considerable knowledge and experience to apply correctly. Therefore, efficient siting requires a strategy which is founded on broad based application of several techniques without relying solely on one narrow field of expertise.

Hiester, T. R.↗
NASA NTRS1995

Site selection for Mars exobiology

The selection of sites on Mars that have a high priority for exobiological research is fundamental for planning future exploration. The most immediate need is to identify targets for high resolution orbital imaging during the Mars Observer and Mars '94/'96 missions that can be used to refined site priorities for surface exploration. We present an objective approach to site selection whereby individual sites are selected and scored, based on the presence of key geological features which indicate high priority environments. Prime sites are those that show evidence for the prolonged activity of liquid water and which have sedimentary deposits that are likely to have accumulated in environments favorable for life. High priority areas include fluvio-lacustrine (stream-fed lake systems), springs, and periglacial environments. Sites where mineralization may have occurred in the presence of organisms (e.g. springs) are given high priority in the search for a fossil record on Mars. A systematic review of Viking data for 83 sites in the Mars Landing Site Catalog (MLSC) resulted in the selection of 13 as being of exobiological interest. The descriptions of these sites were expanded to address exobiological concerns. An additional five sites were identified for inclusion in the second edition of the MLSC. We plan to broaden our site selection activities to include a systematic global reconnaissance of Mars using Viking data, and will continue to refine site priorities for exobiological research based on data from future missions in order to define strategies for surface exploration.

Farmer, J.↗
DOE OSTI2012

Successful Implementation of Soil Segregation Technology at the Painesville FUSRAP Site - 12281

Typically the highest cost component of the radiological soils remediation of Formerly Utilized Sites Remedial Action Program (FUSRAP) sites is the cost to transport and dispose of the excavated soils, typically contaminated with naturally occurring isotopes of uranium, thorium and radium, at an appropriately permitted off-site disposal facility. The heterogeneous nature of the contamination encountered at these sites makes it difficult to accurately delineate the extent of contaminated soil using the limited, discrete sampling data collected during the investigation phases; and difficult to precisely excavate only the contaminated soil that is above the established cleanup limits using standard in-field scanning and guiding methodologies. This usually results in a conservative guided excavation to ensure cleanup criteria are met, with the attendant transportation and disposal costs for the larger volumes of soil excavated. To address this issue during the remediation of the Painesville FUSRAP Site, located in Painesville, Ohio, the Buffalo District of the U.S. Army Corps of Engineers, and its contractor, Safety and Ecology Corporation (SEC), employed automatic soil segregation technology provided by MACTEC (now AMEC) to reduce the potential for transportation and disposal of soils that met the cleanup limits. This waste minimization technology utilized gamma spectroscopy of conveyor-fed soils to automatically segregate the material into above and below criteria discharge piles. Use of the soil segregation system resulted in cost savings through the significant reduction of the volume of excavated soil that required off-site transportation and disposal, and the reduction of the amount of imported clean backfill required via reuse of 'below criteria' segregated soil as place back material in restoring the excavations. Measurements taken by the soil segregation system, as well as results of quality control sampling of segregated soils, confirmed that soils segregated as below criteria for reuse as site fill did meet the Record of Decision cleanup criteria for the site. Automatic soil segregation technology was successfully implemented as part of the 2010 - 2011 remediation effort at the Painesville FUSRAP Site. The Orion ScanSortSM system employed at the site demonstrated the ability to accurately determine the radioactivity concentrations in the processed soil and soil-like material and quickly segregate that material for appropriate final disposition. Data from the soil segregation system and confirmatory QC samples indicated that the segregated 'below criteria' soils met the cleanup criteria in the ROD, and was appropriate for reuse as fill in the excavations. The reduction of the total excavated soil volume requiring off-site disposal by 94% yielded significant project cost savings through reduction of transportation and disposal and backfill procurement costs. Use of automatic soil segregation technology was an efficient and cost-effective method for addressing the radiological contamination at the Painesville Site. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2012

Overview and History of DOE's Hanford Site - 12502

Hanford's DOE offices are responsible for one of the largest nuclear cleanup efforts in the world, cleaning up the legacy of nearly five decades of nuclear weapons production. Nowhere in the DOE Complex is cleanup more challenging than at the Hanford Site in southeastern Washington. Hanford cleanup entails remediation of hundreds of large complex hazardous waste sites; disposition of nine production reactors and the preservation of one as a National Historic Landmark; demolition of hundreds of contaminated facilities including five enormous process canyons; remediation of billions of gallons of contaminated groundwater; disposition of millions of tons of low-level, mixed low-level, and transuranic waste; disposition of significant quantities of special nuclear material; storage and ultimate disposition of irradiated nuclear fuel; remediation of contamination deep in the soil that could impact groundwater; decontamination and decommissioning of hundreds of buildings and structures; and treatment of 56 million gallons of radioactive waste in 177 large underground tanks through the construction of a first-of-its-kind Waste Treatment Plant. Cleanup of the Hanford Site is a complex and challenging undertaking. The DOE Richland Operations Office has a vision and a strategy for completing Hanford's cleanup including the transition to post-cleanup activities. Information on the strategy is outlined in the Hanford Site Completion Framework. The framework describes three major components of cleanup - River Corridor, Central Plateau, and Tank Waste. It provides the context for individual cleanup actions by describing the key challenges and approaches for the decisions needed to complete cleanup. The U.S. Department of Energy (DOE), as regulated by the U.S. Environmental Protection Agency (EPA) and Washington State Department of Ecology (Ecology), is implementing a strategy to achieve final cleanup decisions for the River Corridor portion of the Hanford Site. The DOE Richland Operations Office (RL) and DOE Office of River Protection (ORP) have prepared this document to describe the strategy and to begin developing the approach for making cleanup decisions for the remainder of the Hanford Site. DOE's intent is that the Completion Framework document will facilitate dialogue among the Tri-Parties and with Hanford's diverse interest groups, including Tribal Nations, State of Oregon, Hanford Advisory Board, Natural Resource Trustees, and the public. Future cleanup decisions will be enhanced by an improved understanding of the challenges facing cleanup and a common understanding of the goals and approaches for cleanup completion. The overarching goals for cleanup are sevenfold. - Goal 1: Protect the Columbia River. - Goal 2: Restore groundwater to its beneficial use to protect human health, the environment, and the Columbia River. - Goal 3: Clean up River Corridor waste sites and facilities to: Protect groundwater and the Columbia River. Shrink the active cleanup footprint to the Central Plateau, and support anticipated future uses of the land. - Goal 4: Clean up Central Plateau waste sites, tank farms, and facilities to: Protect groundwater. Minimize the footprint of areas requiring long-term waste management activities. Support anticipated future uses of the land. - Goal 5: Safely manage and transfer legacy materials scheduled for off-site disposition including special nuclear material (including plutonium), spent nuclear fuel, transuranic waste, and immobilized high-level waste. - Goal 6: Consolidate waste treatment, storage, and disposal operations on the Central Plateau. - Goal 7: Develop and implement institutional controls and long-term stewardship activities that protect human health, the environment, and Hanford's unique cultural, historical and ecological resources after cleanup activities are completed. These goals embody more than 20 years of dialogue among the Tri-Party Agencies, Tribal Nations, State of Oregon, stakeholders, and the public. They carry forward key values captured in forums such as the Hanford Future Site Uses Working Group, Tank Waste Task Force, Hanford Summits, and Hanford Advisory Board Exposure Scenario Workshops, as well as more than 200 advice letters issued by the Hanford Advisory Board (http://www.hanford.gov/page.cfm/hab). These goals help guide all aspects of Hanford Site cleanup. Cleanup activities at various areas of the site support the achievement of one or more of these goals. These goals help set priorities to apply resources and sequence cleanup efforts for the greatest benefit. These goals reflect DOE's recognition that the Columbia River is a critical resource for the people and ecology of the Pacific Northwest. The 50-mile stretch of the river known as the Hanford Reach is home to the last free-flowing section of the river in the U.S. As one of the largest rivers in North America, its waters support a multitude of uses that are vital to the economic and environmental well being of the region and it is particularly important in sustaining the culture of Native Americans. Cleanup actions must protect this river. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Assessment of Rare Earth Element Fingerprints for Distinguishing Between Site-Related Wastes and Background - 19441

Actinides such as uranium, thorium and radium are known to be present in sites associated with various phases of the cold war weapons research, development and production. Remediation of these sites as well as others associated with chemical plants that may have generated radioactive actinide-containing wastes have been the focus of the Formerly Utilized Sites Remedial Action Program (FUSRAP) for the past 20 years. The goal is to remediate a site to established cleanup standards as efficiently and cost-effectively as possible. For radiologically-contaminated sites, one potential challenge is the presence of non-FUSRAP media such as naturally-occurring radioactive material (NORM) or technologically-enhanced naturally-occurring radioactive material (TENORM), from non-FUSRAP sources, at concentrations exceeding site cleanup standards. Such NORM and TENORM, and even byproduct radionuclides from other unrelated activities on or near the site, can be mistaken for project waste and thus incur significant additional excavation and waste transport and disposal costs. Past studies have provided examples of NORM and non-FUSRAP waste and described strategies to distinguish them from FUSRAP waste. This paper describes various sources of NORM, summarizes the types of project-related waste at some active FUSRAP sites, and identifies TENORM sites from which radionuclides could possibly migrate via various environmental pathways to nearby FUSRAP sites. The authors also examine two Case Studies that calculate distinctive elemental ratios and are examples of tools which may be used for distinguishing FUSRAP waste from other radionuclides present in natural or other man-made contributors to background. Case Study I examines two bodies of data and calculates distinctive elemental ratios between pairs of rare earth elements (REE) to see if significant differences may exist between such ratios in unregulated coal ash residue, common in fill in well-established towns and cities, and FUSRAP waste. The first group of data, consisting of eighteen sample results, was obtained from the FUSRAP Maywood Superfund Site's historical data while the second was obtained from a paper which provided extensive data (more than 100 samples) on the REE content in fly ash residues from three major coal-producing areas in the United States. This example illustrates statistically significant differences in five of six REE ratios and thus provides a potential tool for distinguishing FUSRAP waste from coal ash-based NORM. Case Study II examines differences in the mean REE:Actinide and REE:REE ratios in Welsbach-impacted sample results to distinguish project waste from background. While the purpose of this study was to distinguish project waste from background levels of the radionuclides of concern (ROC), it provides a good example of how one or more ratios could potentially be used to distinguish FUSRAP waste from NORM. Lastly, the authors recommend that future projects ensure robust characterization, that considers all potential radionuclide contributors from both FUSRAP activities as well as from other contributors to background for the region during the Planning Phase of the Data Life Cycle described within the Multi-Agency Radiation Survey and Site Investigation Manual (MARSSIM). It is expected that the incremental characterization sampling and analysis costs will be dwarfed by potential savings from efforts to better delineate and limit remediation to FUSRAP wastes rather than other potentially unregulated contributors to regional background. Other agencies or commercial entities with radiological environmental liabilities similar to FUSRAP would benefit from similar considerations of REEs and other radionuclides that could contribute to regional background. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Comparing Ecological Risk between D and D Facilities and Operating Facilities at the Hanford Site - 19531

Many countries are faced with a large remediation task resulting from World War II, the Cold War, and subsequent industrial development. In the U.S. the Department of Energy (DOE) faces the largest hazardous waste remediation tasks, with a commitment to protect human health and the environment during and following remediation. DoE's biggest challenge is remediation of the many remaining cleanup areas at the Hanford Site, Washington. Some Hanford sites have extensive ecological resources and ecosystems that require protection or restoration. We briefly 1) describe a rapid evaluation method for ecological resources on units slated for cleanup that allows comparison among the different areas at the Hanford Site, 2) examine some D4 (deactivation, decommissioning, decontamination and demolition) facilities and Operating facilities that require remediation, 3) describe potential ecological harm to resources on these sites, and 4) compare how risks from potential harm vary at the Hanford Site. The ecological evaluation includes three phases: 1) general steps (identify resource categories, identify cleanup areas), 2) ecological descriptions (describe resources on the site to be cleaned up), and 3) ecological ratings (rate the value of the resources on a scale that can be applied across remediation sites). After completion of these steps for the sites requiring cleanup, a comparison of potential risks can be made among types of facilities (e.g. D4 facilities, legacy waste sites, operating facilities). D4 facilities are those slated for deactivation, decommissioning, decontamination and demolition, while operating facilities at Hanford include waste treatment plants, sludge basins, waste trenches, Central Waste Complex, storage facilities, and disposal facilities, among others required to support the D4 and other remediation activities, before they too are remediated. Currently the potential harm to ecological (and eco-cultural) resources on the Hanford Site for remediation at D4 facilities is very low, but increases to very high (for reactors) during remediation when there is physical disruption, increased traffic and personnel, and possible increased contamination. Following remediation, the potential harm to ecological resources is low, and the value may increase due to restoration of native vegetation on sites that were largely industrial prior to remediation. In contrast, the potential harm to ecological resources at Operating Facilities was higher currently than for D4 facilities, but was low to medium following cleanup. The higher harm (risk) at D4 facilities partly derives from the location of the reactors near the Columbia River, a resource extremely important to Tribal Nations and to other peoples in the Northwestern United States, as well as for the iconic and threatened salmon populations. Methods described in this paper provide Congress, DOE managers, regulators, Tribes, and the general public with assurance that ecological and eco-cultural resources and the environment are being protected during and following remediation. The analysis of specific sites provides managers, regulators and the public with information to make cost-effective decisions about remediation that continues to enhance ecological value while protecting human health. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

The Evolution of DOE/Stakeholder Relationships at the Fernald Preserve, Ohio, Site - 19559

The Fernald Preserve, Ohio, Site is managed by the US Department of Energy (DOE) Office of Legacy Management. It is approximately 29 km (18 miles) northwest of Cincinnati, Ohio, on the site of a former uranium-processing plant established by the US Atomic Energy Commission in 1951. The production mission officially ended in 1991 when it was replaced by a remediation mission. Extensive environmental remediation was subsequently conducted under the Superfund program by the DOE Office of Environmental Management. After most of the remediation was concluded in 2006, the site was transferred to the DOE Office of Legacy Management, which continued comprehensive ecological restoration and is responsible for an ongoing aquifer remediation operation. The site was renamed the Fernald Preserve and opened to the public in 2008 as an undeveloped park, encompassing a diversity of natural habitats native to the area. The site now serves as a community asset, offering a Visitors Center with exhibits that tell the site story, hiking trails, wildlife observation opportunities, meeting spaces for community groups, educational program opportunities, and Interpretive Services personnel to engage the public. There was a long history of community mistrust about government operations at the site, beginning in the 1950's when land for the site was acquired by eminent domain, and continuing when contamination and hazardous waste management concerns were revealed in the 1980's. Resulting media coverage on possible contamination and cover-up concerns was extensive. In 1986, sitewide studies to determine the nature and extent of contamination and to consider cleanup options were instigated. In 1989, the site was placed on the National Priorities List of the Superfund program. Because of the longstanding mistrust held by many stakeholders, DOE faced a very serious challenge in achieving consensus among stakeholder groups about the cleanup levels, waste disposition, and the future uses of the site. Starting in the late 1980's, DOE, the regulators, site contractors and the community took a number of steps over many years to increase trust and achieve consensus among the many stakeholder groups. These steps included establishing a single cleanup mission, involving the community early and often as a critically important stakeholder, creating a citizens taskforce and community envoys, and providing extensive educational outreach. As a result, DOE, regulators, contractors, and community members moved from a position of very little trust to one of increased trust and collaboration among all concerned parties. The lessons learned from the Fernald site can be invaluable in the resolution of difficult environmental issues and should be considered as DOE seeks increased collaboration and consensus with stakeholders to solve other environmental remediation challenges. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

GCS site selection in saline Miocene formations in South Louisiana

One of the key requirements of a commercial scale geologic carbon sequestration (GCS) site selection process is identifying injection sites to safely inject and retain injected CO 2 over extended time scales. This requires thorough evaluation of site-specific surface and subsurface features. A site screening and selection framework was developed and used to identify potential sites in South Louisiana, incorporating surface data including site proximity to large CO 2 stationary sources, vicinity of large population centres and state lands, land usage, legacy oil and gas wells, and local/regional geologic trends. Regionally the Miocene sediments thicken and dip towards the south, reflecting a prograding deltaic environment during the Miocene which resulted in the deposition of thick packages of fine-grained sandstones suitable for CO 2 storage. The results of three example selected sites that are spatially separated with varying subsurface and surface features are presented in this study. The multiple stacked sand zones at these sites provide ample amount of pore volume for CO 2 storage with varying degree of stratigraphic/structural traps for long terms storage containment. Here, the screening framework presented in this study and the detailed evaluation of three specific sites in South Louisiana provides a process to screen and characterize sites for GCS projects and the suitability of these Miocene sediments for commercial scale CO 2 storage projects. It is envisioned that the analysis described in this paper will be beneficial for a large number of audiences involved in GCS work and aid in the site selection process.

58 GEOSCIENCES↗
DOE OSTI2014

Spatial Variability of Surface Irradiance Measurements at the Manus ARM Site

The location of the Atmospheric Radiation Measurement (ARM) site on Manus island in Papua New Guinea was chosen because it is very close the coast, in a geographically at, near-sea level area of the island, minimizing the impact of local island effects on the meteorology of the measurements [Ackerman et al., 1999]. In this study, we confirm that the Manus site is in deed less impacted by the island meteorology than slightly inland by comparing over a year of broadband surface irradiance and ceilometer measurements and derived quantities at the standard Manus site and a second location 7 km away as part of the AMIE-Manus campaign. The two sites show statistically similar distributions of irradiance and other derived quantities for all wind directions except easterly winds, when the inland site is down wind from the standard Manus site. Under easterly wind conditions, which occur 17% of the time, there is a higher occurrence of cloudiness at the down wind site likely do to land heating and orographic effects. This increased cloudiness is caused by shallow, broken clouds often with bases around 700 m in altitude. While the central Manus site consistently measures a frequency of occurrence of low clouds (cloud base height less than 1200 m) about 25+4% regardless of wind direction, the AMIE site has higher frequencies of low clouds (38%) when winds are from the east. This increase in low, locally produced clouds causes an additional -20 W/m2 shortwave surface cloud radiative effect at the AMIE site in easterly conditions than in other meteorological conditions that exhibit better agreement between the two sites.

Manus ARM site↗
DOE OSTI2021

Dynamic Interconversion of Metal Active Site Ensembles in Zeolite Catalysis

Catalysis science is founded on understanding the structure, number, and reactivity of active sites. Kinetic models that consider active sites to be static and noninteracting entities are routinely successful in describing the behavior of heterogeneous catalysts. Yet, active site ensembles often restructure in response to their external environment and even during steady-state catalytic turnover, sometimes requiring non-mean-field kinetic treatments to describe distance-dependent interactions among sites. Such behavior is being recognized more frequently in modern catalysis research, with the advent of experimental methods to quantify turnover rates with increasing precision, an expanding arsenal of operando characterization tools, and computational descriptions of atomic structure and motion at chemical potentials and timescales increasingly relevant to reaction conditions. This review focuses on dynamic changes to metal active site ensembles on zeolite supports, which are silica-based crystalline materials substituted with Al that generate binding sites for isolated and low-nuclearity metal site ensembles. Metal sites can become solvated and mobilized during reaction, facilitating interactions among sites that change their nuclearity and function. Such intersite communication can be regulated by the zeolite support, resulting in non-single-site and potentially non-mean-field kinetic behavior arising from mechanisms of catalytic action that combine elements of those canonically associated with homogeneous and heterogeneous catalysis. Here, we discuss recent literature examples that document dynamic active site behavior in metal-zeolites and outline methodologies to identify and interpret such behavior. We conclude with our outlook on future research directions to develop this evolving branch of catalysis science and harness it for practical applications.

operando characterization↗
DOE OSTI2017

2016 Groundwater Monitoring and Inspection Report Gnome-Coach, New Mexico, Site January 2017

The Gnome-Coach, New Mexico, Site was the location of an underground nuclear test in 1961 and a groundwater tracer test in 1963. Residual contamination remaining in the subsurface from these events requires long-term oversight. The Long-Term Surveillance and Maintenance Plan for the site describes the U.S. Department of Energy Office of Legacy Management’s (LM’s) plan for monitoring groundwater (radiochemical sampling and hydraulic head measurements), inspecting the site, maintaining the site’s institutional controls, evaluating and reporting data, and documenting the site’s records and data management processes. Groundwater monitoring and site inspection activities are conducted annually. This report summarizes the results of these activities conducted during the October 2015 through September 2016 reporting period. The site inspection and annual sampling were conducted on January 27, 2016. At the time of the site inspection, the signs installed near the emplacement shaft, near well USGS-1, and around the perimeter of the site were observed as being in good condition, as were the roads, wellheads, and Project Gnome monument. No new groundwater extraction wells or oil and gas wells were installed during this reporting period on the site or in the sections that surround the site. One new application was received by the New Mexico Oil Conservation Division to install a salt water disposal well approximately 0.8 miles northeast of the Project Gnome monument. The proposed well has a planned completion depth of 15,500 feet below ground surface, but as of November 2016 a drill date has not been established.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A Deep Exon Cryptic Splice Site Promotes Aberrant Intron Retention in a Von Willebrand Disease Patient

A translationally silent single nucleotide mutation in exon 44 (E44) of the von Willebrand factor (VWF) gene is associated with inefficient removal of intron 44 in a von Willebrand disease (VWD) patient. This intron retention (IR) event was previously attributed to reordered E44 secondary structure that sequesters the normal splice donor site. We propose an alternative mechanism: the mutation introduces a cryptic splice donor site that interferes with the function of the annotated site to favor IR. We evaluated both models using minigene splicing reporters engineered to vary in secondary structure and/or cryptic splice site content. Analysis of splicing efficiency in transfected K562 cells suggested that the mutation-generated cryptic splice site in E44 was sufficient to induce substantial IR. Mutations predicted to vary secondary structure at the annotated site also had modest effects on IR and shifted the balance of residual splicing between the cryptic site and annotated site, supporting competition among the sites. Further studies demonstrated that introduction of cryptic splice donor motifs at other positions in E44 did not promote IR, indicating that interference with the annotated site is context dependent. We conclude that mutant deep exon splice sites can interfere with proper splicing by inducing IR.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Preliminary Evaluation of Removing Used Nuclear Fuel from Shutdown Sites - 2016 Update - 17086

An updated evaluation of removing used or spent nuclear fuel (SNF)2 from 13 shutdown nuclear power reactor sites was conducted during 2016. At these shutdown sites the nuclear power reactors have been permanently shut down and the sites have been decommissioned or are undergoing decommissioning. The shutdown sites included in the evaluation were Maine Yankee, Yankee Rowe, Connecticut Yankee, Humboldt Bay, Big Rock Point, Rancho Seco, Trojan, La Crosse, Zion, Crystal River, Kewaunee, San Onofre, and Vermont Yankee. The evaluation was divided into four components: (1) characterization of the SNF and greater-than-Class C low-level radioactive waste (GTCC waste) inventory, (2) a description of the on-site infrastructure at the shutdown sites, (3) an evaluation of the near-site transportation infrastructure and transportation experience, including identification of gaps in information, and (4) an evaluation of the actions necessary to prepare for and remove SNF and GTCC waste. Updates to the evaluation since 2015 include incorporating spent nuclear fuel data from the GC-859 database; updating of Google Earth imagery; incorporating revisions to transportation certificates of compliance; adding information obtained from site visits to the Pacific Sun Railroad and Camp Pendleton, California; adding rail assessments for Kewaunee, Crystal River, and San Onofre to the evaluation; and adding information obtained from the site visit to Vermont Yankee. As additional sites such as Fort Calhoun, Palisades, Clinton, Quad Cities, Pilgrim, Oyster Creek, and Diablo Canyon shut down, these sites will be included in updates to the evaluation. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Probing individual single atom electrocatalyst sites by advanced analytical scanning transmission electron microscopy

Single atom electrocatalysts (SAEs) are promising next-generation materials for promoting a variety of important reactions, such as the oxygen reduction, nitrogen reduction, and CO 2 reduction reactions. While bulk characterization techniques such as X-ray absorption spectroscopy and Mössbauer spectroscopy have significantly enhanced our understanding of these catalysts, direct probing of individual single metal atom sites at the atomic scale is necessary to understand local variations in the properties of these sites and accelerate design and synthesis of improved SAEs. Aberration-corrected scanning transmission electron microscopy (STEM) has become a powerful tool for providing this type of atomic-scale information about SAE metal sites. These sites are typically unstable under the electron beam, however, which, in combination with conventional acquisition methods and detectors, has limited the type and quantity of information obtainable by spectroscopic STEM techniques. Here, we map multiple individual SAE metal sites in a nitrogen-doped carbon containing atomically dispersed Fe and Re (FeReNC) at the atomic scale by direct electron detection electron energy-loss spectroscopy (EELS). Direct electron detection provides an improved signal-to-noise ratio over conventional scintillator-based detectors and enables detection and real space localization of weak signals. In addition, we demonstrate an automated method for identification of metal atom positions, placement of the probe on these sites, and simultaneous EELS and energy dispersive X-ray spectroscopic (EDS) signal acquisition. This simultaneous acquisition of EELS and EDS provides access to the composition and bonding of a wide range of SAE metal sites. In this study, focusing the probe directly on the metal sites also increases the relevant data acquisition rate by more than an order of magnitude over two-dimensional mapping, enabling improved statistical measurements of site properties. The versatility, sensitivity, and speed that these techniques provide enhances our ability to probe the local elemental and chemical environment of a large number of individual SAE metal site structures at the atomic scale, enabling an improved understanding of the variations in the local properties of these electrocatalysts to be gained. As a result, significantly increased information about individual metal sites will be available to future electrochemical studies through these techniques, accelerating the development of advanced SAEs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Effect of Cr and Mn ions on the structure and magnetic properties of GaFeO{sub 3}: Role of the substitution site

Effect of substitution of Cr and Mn in the Fe and Ga sites of GaFeO{sub 3} on the structural parameters and magnetic properties has been investigated by preparing GaFe{sub 1-x}Cr{sub x}(Mn{sub x})O{sub 3} and Ga{sub 1-x}Cr{sub x}(Mn{sub x})FeO{sub 3} starting with appropriate oxide precursors. It is shown that, starting with Cr or Mn substituted Ga{sub 2}O{sub 3}, one obtains Ga{sub 1-x}Cr{sub x}(Mn{sub x})FeO{sub 3}, while reaction of Cr or Mn substituted {alpha}-Fe{sub 2}O{sub 3} with Ga{sub 2}O{sub 3} yields GaFe{sub 1-x}Cr{sub x}(Mn{sub x})O{sub 3}. The structural parameters and magnetic properties vary significantly with the substitution site of Cr showing a large decrease in the unit cell parameters as well as the T{sub C} and other magnetic properties when the substitution is at the octahedral Fe (1, 2) site. Substitution of Cr at the octahedral Ga2 site results in marginal changes. Substitution of Mn in the Ga and Fe sites also show differences although the changes themselves are much smaller. First-principles calculations confirm such site-specificity and show how Cr substitution affects the properties differently when substituted at the Ga2 and Fe1 sites. - Graphical abstract: The important role of site-specific substitution of transition metal ions on the structure and magnetic properties of GaFeO{sub 3} has been investigated experimentally and theoretically. Highlights: > Substitution of transition metal ions to specific cation site. > Ionic radii of the cation dictate the disorder associated with the specific site. > Site-specificity explains magnetic ordering and structural parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Carbonate substitution in the mineral component of bone: Discriminating the structural changes, simultaneously imposed by carbonate in A and B sites of apatite

The mineral component of bone and other biological calcifications is primarily a carbonate substituted calcium apatite. Integration of carbonate into two sites, substitution for phosphate (B-type carbonate) and substitution for hydroxide (A-type carbonate), influences the crystal properties which relate to the functional properties of bone. In the present work, a series of AB-type carbonated apatites (AB-CAp) having varying A-type and B-type carbonate weight fractions were prepared and analyzed by Fourier transform infrared spectroscopy (FTIR), powder X-ray diffraction (XRD), and carbonate analysis. A detailed characterization of A-site and B-site carbonate assignment in the FTIR ν{sub 3} region is proposed. The mass fractions of carbonate in A-site and B-site of AB-CAp correlate differently with crystal axis length and crystallite domain size. In this series of samples reduction in crystal domain size correlates only with A-type carbonate which indicates that carbonate in the A-site is more disruptive to the apatite structure than carbonate in the B-site. High temperature methods were required to produce significant A-type carbonation of apatite, indicating a higher energy barrier for the formation of A-type carbonate than for B-type carbonate. This is consistent with the dominance of B-type carbonate substitution in low temperature synthetic and biological apatites. - Graphical abstract: A series of differently substituted high temperature AB-type carbonated apatites show interesting structural changes, an additional B-carbonate site with the presence of A-carbonate in the apatite, and crystal domain sizes that correlate only with the amount of A-site carbonate. Our results provide an explanation for the dominance of B-type carbonate in biominerals. Display Omitted - Highlights: • Series of AB-type carbonated apatites with varying carbonate levels synthesized. • FTIR indicates additional orientations for B-site CO{sub 3}{sup 2-} with A-type substitution. • Crystal domain lengths correlate only to A-site CO{sub 3}{sup 2-} in high-temp AB-apatites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Isolated Metal Sites in Cu–Zn–Y/Beta for Direct and Selective Butene-Rich C 3+ Olefin Formation from Ethanol

Direct and selective production of C 3+ olefins from bioethanol remains a critical challenge and important for the production of renewable transportation fuels such as aviation biofuels. In this study, we report a Cu–Zn–Y/Beta catalyst for selective ethanol conversion to butene-rich C 3+ olefins (88% selectivity at 100% ethanol conversion, 623 K), where the Cu, Zn, and Y sites are all highly dispersed. The ethanol-to-butene reaction network includes ethanol dehydrogenation, aldol condensation to crotonaldehyde, and hydrogenation to butyraldehyde, followed by further hydrogenation and dehydration reactions to form butenes. Cu sites play a critical role in promoting hydrogenation of the crotonaldehyde C═C bond to form butyraldehyde in the presence of hydrogen, making this a distinctive pathway from crotyl alcohol-based ethanol-to-butadiene reaction. Reaction rate measurements in the presence of ethanol and acetaldehyde (543 K, 12 kPa ethanol, 1.2 kPa acetaldehyde, 101.9 kPa H 2 ) over monometallic Zn/Beta and Y/Beta catalysts indicate that Y sites have higher C–C coupling rates than over Zn sites (initial C–C coupling rate, 6.1 × 10 –3 mol mol Y –1 s –1 vs 1.2 × 10 –3 mol mol Zn –1 s –1 ). Further, Lewis-acidic Y-site densities over Cu–Zn–Y/Beta with varied Y loadings are linearly correlated with the initial C–C coupling rates, suggesting that Lewis-acidic Y sites are the predominant sites that catalyze C–C coupling in Cu–Zn–Y/Beta catalysts. Control experiments show that the dealuminated Beta support is important to form higher density of Lewis-acidic Y sites in comparison with other supports such as silica, or deboronated MWW despite similar atomic dispersion of Y sites and Y–O coordination numbers over these supports, leading to more than 9 times higher C–C coupling rate per mole Y over dealuminated Beta relative to other supports. This study highlights the significance of unique combination of metal sites in contributing to the selective valorization of ethanol to C 3+ olefins, motivating for exploring multifunctional zeolite catalysts, where the presence of multiple sites with varying reactivities and functions allows for controlling the predominant molecular fluxes toward the desired products in complex reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Recruiting Human Microbiome Shotgun Data to Site-Specific Reference Genomes

The human body consists of innumerable multifaceted environments that predispose colonization by a number of distinct microbial communities, which play fundamental roles in human health and disease. In addition to community surveys and shotgun metagenomes that seek to explore the composition and diversity of these microbiomes, there are significant efforts to sequence reference microbial genomes from many body sites of healthy adults. To illustrate the utility of reference genomes when studying more complex metagenomes, we present a reference-based analysis of sequence reads generated from 55 shotgun metagenomes, selected from 5 major body sites, including 16 sub-sites. Interestingly, between 13% and 92% (62.3% average) of these shotgun reads were aligned to a then-complete list of 2780 reference genomes, including 1583 references for the human microbiome. However, no reference genome was universally found in all body sites. For any given metagenome, the body site-specific reference genomes, derived from the same body site as the sample, accounted for an average of 58.8% of the mapped reads. While different body sites did differ in abundant genera, proximal or symmetrical body sites were found to be most similar to one another. The extent of variation observed, both between individuals sampled within the same microenvironment, or at the same site within the same individual over time, calls into question comparative studies across individuals even if sampled at the same body site. This study illustrates the high utility of reference genomes and the need for further site-specific reference microbial genome sequencing, even within the already well-sampled human microbiome.

59 BASIC BIOLOGICAL SCIENCES↗