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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Colonie, New York, FUSRAP Site: Pathway from Remediation to Redevelopment - 19465

The Colonie, New York, Formerly Utilized Sites Remedial Action Program (FUSRAP) Site consists of a 4.5-hectare (11.2-acre) US Department of Energy (DOE)-owned vacant property (Main Site) and 56 commercial and residential vicinity properties (VPs). The site was owned and operated by National Lead Industries (NL) from 1937 to 1984. The Main Site was used for manufacturing fuel and weapons components using uranium and thorium. Depleted uranium dust was emitted from exhaust stacks that contaminated the site and the VPs. NL also filled in portions of the site with industrial waste and released contaminants to groundwater. The state court shut the plant down in 1984. The site was acquired by DOE in 1985, which remediated the VPs and began to remediate the Main Site up to 1997. The US Army Corps of Engineers (USACE) undertook remedial actions beginning in 1997. The site has three Operable Units (Main Site, Groundwater, and VPs). The Main Site soil was remediated to residential standards except for three small easement areas. The soils in the easement areas are safe for exposure to workers. There is a groundwater plume beneath the site that will require the use of monitoring and temporary land use controls until cleanup standards are met. The VPs require no further action. A 2-year transition period from USACE to the DOE Office of Legacy Management (LM) began on June 18, 2018, with the receipt of the Site Closeout Report from USACE. LM has determined that the 4.5-hectare site is excess to its mission needs and intends to pursue sale of the property for redevelopment. There are several processes required before the disposal can occur. Organizations with similar sites that are federally owned and ready for private redevelopment may benefit from reviewing the Colonie site disposition processes. This paper will discuss (1) Determining disposal alternatives for the Colonie, New York, site. (2) Describing the federal requirements for the disposal of excess real property. (3) Communicating to stakeholders that the site is ready for disposal. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

The impact of contamination and aging effects on the long-term laser-damage resistance of SiO 2 /HfO 2 /TiO 2 high-reflection coatings for 1054nm

The laser damage thresholds of optical coatings can degrade over time due to a variety of factors, including contamination and aging. Optical coatings deposited using electron beam evaporation are particularly susceptible to degradation due to their porous structure. In a previous study, the laser damage thresholds of optical coatings were reduced by roughly a factor of two from 2013 to 2017. The coatings in question were high reflectors for 1054 nm that contained SiO 2 and HfO 2 and/or TiO 2 layers, and they were stored in sealed PETG containers in a class 100 cleanroom with temperature control. At the time, it was not certain whether contamination or thin film aging effects were responsible for the reduced laser damage thresholds. Therefore, to better understand the role of contamination, the coatings were recleaned and the laser damage thresholds were measured again in 2018. Here, the results indicate that contamination played the most dominant role in reducing the laser damage thresholds of these optical coatings, even though they were stored in an environment that was presumed to be clean.

42 ENGINEERING↗
DOE OSTI2019

H-Canyon Tunnel Inspection System

Cable Analysis: The crawlers is controlled remotely via a long coax cable. In order to make sure we do not damage the cable which could cut our contact (data/power/control), we had to determine the bend radius of it at certain locations. This was done with dimensional analysis in Creo and inputting the information into a MATLAB program. Engineering Drawings: Since many of the crawlers parts, such as the main body, needed to be machined, part drawings were needed to communicate the details necessary for manufacture. Project Overview: The H-Canyon Ventilation Exhaust Tunnel due both to its long service history and exposure to aggressive process offgas chemistry has experienced degradation. In order to allow visual inspection of the condition of the radioactively-contaminated tunnel, a remote crawler was designed to deliver cameras as needed to return high definition video. My involvement included Vendor Searches, Cable Analysis, Thermal Analysis, and Engineering Drawings. Thermal Analysis: In order to see if internal active cooling is needed for the crawler, simplified thermal models were designed to approximate the internal temperatures: Conduction (assumes all heat sources are thermally-coupled to the crawler body); Convection (assumes no heat sources are thermally-bonded to crawler). Going Forward: Continue refining the cable analysis as the crawler model is updated and refined. Use my knowledge gained here to further my skills in engineering.

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

Can Common Pool Resource Theory Catalyze Stakeholder-Driven Solutions to the Freshwater Salinization Syndrome?

Freshwater salinity is rising across many regions of the United States as well as globally, a phenomenon called the freshwater salinization syndrome (FSS). The FSS mobilizes organic carbon, nutrients, heavy metals, and other contaminants sequestered in soils and freshwater sediments, alters the structures and functions of soils, streams, and riparian ecosystems, threatens drinking water supplies, and undermines progress toward many of the United Nations Sustainable Development Goals. There is an urgent need to leverage the current understanding of salinization’s causes and consequences–in partnership with engineers, social scientists, policymakers, and other stakeholders–into locally tailored approaches for balancing our nation’s salt budget. In this feature, we propose that the FSS can be understood as a common pool resource problem and explore Nobel Laureate Elinor Ostrom’s social-ecological systems framework as an approach for identifying the conditions under which local actors may work collectively to manage the FSS in the absence of top-down regulatory controls. We adopt as a case study rising sodium concentrations in the Occoquan Reservoir, a critical water supply for up to one million residents in Northern Virginia (USA), to illustrate emerging impacts, underlying causes, possible solutions, and critical research needs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Smart Ventilation for Advanced California Homes – Single Zone Technology Task

This study is intended to demonstrate the potential for energy savings while providing acceptable Indoor Air Quality (IAQ) for ZNE homes. It uses the concept of Smart Ventilation where ventilation systems are designed and controlled to produce the same, or better, IAQ compared to simple, continuously operated ventilation systems. The key energy saving principle for smart ventilation is that ventilation is shifted in time to when the energy required to condition the air is lower. A variety of smart ventilation controls based on outdoor temperature, occupancy and auxiliary fan sensing were developed and assessed across homes built to the 2016 Title 24 Prescriptive standards in California climate regions. Simulations used a co-simulation strategy that combines EnergyPlus with CONTAM. The IAQ calculations were based on the equivalent ventilation principle outlined in the ASHRAE 62.2-2016 ventilation standard, Appendix C. Two prototype homes were simulated (1-story 2,100 ft2 and 2-story 2,700 ft2). Their envelope airtightness was varied between 1, 3 and 5 ACH50. Climate zones were chosen to reflect the variety of heating and cooling demand throughout California. A weighted average analysis was used to generalize the energy predictions across the projected new housing stock in the state. Temperature-based controls were found to be effective, with the most successful smart controls reducing weighted average site ventilation energy use by about 40%, while TDV weighted average ventilation energy reductions were higher, up to roughly 60%. Results were also normalized to ensure identical IAQ in all cases, and the weighted average site and TDV ventilation savings increased, up to 55% and 72% ventilation savings, respectively, for the top-performing temperature-based controls. Peak demand during the 2-6pm period on the hottest days of the year was reduced by up to 400 watts. More than 90% of site energy savings were for heating end-uses, while TDV energy savings were split fairly evenly between heating and cooling. On average, the smart controls reduced occupant pollutant exposure by 0-10%, and they increased ventilation rates by roughly 20%. Occupancy-based controls that accounted for contaminants released by building materials and furnishings during unoccupied times were generally ineffective, with very low energy savings. Performance was improved somewhat through use of a 1-hour pre-occupancy flush out period, though savings were still marginal compared to temperature-based controls. All temperature and occupancy controls were also tested with auxiliary fan sensing capability (i.e., accounting for the use of other exhaust devices in the home, like bathroom or kitchen fans). Auxiliary fan sensing increased energy savings in all cases, from roughly 5 to 15%.

42 ENGINEERING↗
DOE OSTI2025

Roles of surface Mn(III) and MgOH + /CaOH + complexation in photochemically assisted Mn 2+ oxidation and Todorokite formation

Todorokite, a Mn oxide phase commonly found in seafloor Mn nodules, is one of the most abundant Mn oxides in nature and has wide applications in environmental engineering, including heavy metal remediation, contaminant adsorption for water purification, and catalysis for organic pollutant degradation. However, traditional abiotic formation of todorokite reported to date typically requires high temperature, pressure, and pH outside circumneutral conditions, or involves several days of phase transformations from precursor phases. In this study, we demonstrate rapid todorokite formation within 6 h via photochemically assisted oxidation of Mn 2+ (aq) in the presence of Mg 2+ or Ca 2+ , notably at ambient temperature and pressure. The concentrations of aqueous MgOH + and CaOH + , as well as the pH (initial 9 or 6), had significant collective influences on the crystalline phases of the formed Mn oxide solids. The proportions of the Mn oxidation states (IV, III, and II) and the extent of Mn(III) surface complexation with MgOH + or CaOH + controlled the crystalline phases (todorokite, feitknechtite, and birnessite) and the extent of cation incorporation into the resulting Mn oxide solids. Specifically, the oxidation state of Mn influenced the crystallization of different Mn oxide phases, and the formed Mn(III) complexed with MgOH + or CaOH + facilitated the formation of todorokite, along with cation incorporation. X-ray pair distribution function analysis revealed that incorporated Mg species were located at the inside corner sites of the 5 × 3 MnO 6 octahedral tunnel structure of todorokite, suggesting complexation between MgOH + and Mn(III) at the corners of the tunnel. Furthermore, this study provides novel insights into the elusive formation of todorokite and its potential for applications in advanced water treatment and environmental remediation.

Abiotic Mn2+ oxidation↗
DOE OSTI2018

Redox potential control in molten salt systems for corrosion mitigation

In a molten salt nuclear reactor system, the redox potential must be controlled for mitigating corrosion of structural materials. The paper presented a critical review on the available knowledge of redox potential control in molten fluoride salt systems. The major potential contaminants that affect the redox potential and material corrosion are TF, oxides, hydroxides, and various metal fluorides. Redox potential control methodologies include gas sparging, contacting the salt with a reducing metal, and adding soluble salt redox buffers to the salt. Redox potential measurement technologies include electrochemical sensors and optical spectroscopy. This work also analyzed the current technology issues and recommended near future studies.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Groundwater flowpath characteristics drive variability in per- and polyfluoroalkyl substances (PFAS) loading across a stream-wetland system

Groundwater dependent ecosystems in areas with industrial and military land use are at risk of direct exposure to a wide range of contaminants, including PFAS chemicals. Glaciated terrain often has mixed high and low permeability sediments coupled with groundwater flow-through lake features. These hydrogeologic attributes create highly complex ‘source to seep’ dynamics that make spatiotemporal contaminant transport patterns difficult to predict. We investigated one such system in detail using a suite of heat-tracing and chemical methods. Numerous (n=57) preferential groundwater discharge zones (vertical flux rates ranging 0.2 to 3.2 m/d) were identified across the upper Quashnet River stream-wetland system in Mashpee, MA, USA, adjacent to an Air Force Base with several known PFAS source areas. Surface-water and groundwater samples were collected and analyzed (n=145) for precursors and terminal PFAS compounds between March and September 2022. Samples were collected at identified seeps along the Quashnet River (n=59), from wells upgradient from the stream-wetland system (n= 44), from contributing flow-through kettle lakes (n=8), and at multiple locations along the Quashnet River (n=34). Samples from seeps and wells had measured PFAS concentrations ranging from non-detect to approximate 3,500 ng/L (mean= 1,650 ng/L), and a range of deuterium excess values (3.2 to 15.9 per mil) indicative of varying degrees of groundwater-lake interaction prior to emergence at the discharge zones. Groundwater-lake interaction along flowpaths that sourced the sampled seeps was farther supported by significant correlations (p < 0.01) between deuterium excess and %PFAS precursors, and between %PFAS precursors and multiple terminal PFAS compounds (e.g., PFPeS, PFBS, PFHxS). However, some sampled seeps contributing groundwater to the stream-wetland system had much higher total PFAS concentrations (>1000 ng/L) than the upgradient kettle lakes, despite showing lake (evaporative) isotopic signatures, indicating the potential for groundwater flowpath convergence at wetland discharge zones and the influence of lakebed PFAS precursor reactions. PFAS compounds and water isotopic composition at sampled multilevel groundwater wells, rivers, lakes, and seeps suggest that a complex mixture of source groundwater and flowpath characteristics are responsible for diverse observed PFAS mixtures at preferential discharge zones across the stream-wetland system. Further, total PFAS loading patterns to the Quashnet River via groundwater discharge remained remarkably similar from winter to summer to fall conditions, despite a regional dry period in late summer 2022 with the upper river channel completely drying. This work addresses gaps in the existing PFAS literature by demonstrating the importance of subsurface fate and transport on PFAS compound concentrations in controlling contaminant mass loading in preferential groundwater discharge zones and presents a transferrable field toolkit for efficient characterization of spatially preferential PFAS transport dynamics.

Contaminant transport↗
DOE OSTI2024

Fabrication of pristine 2D heterostructures for scanning probe microscopy

Material-by-design has been a long-standing aspiration that has recently become a reality. Such designer materials have been repeatedly demonstrated using the top-down approach of mechanical exfoliation and stacking, leading to a variety of artificial 2D heterostructures with new properties that are otherwise unattainable. Consequently, tremendous research frontiers in physics, chemistry, engineering, and life science have been created. While thousands of layered crystals exist in nature, only a few dozen of them with manageable chemical-stability have been made into heterostructures using this method. Moreover, experimental investigations of materials that have received limited exploration in the 2D realm, such as cuprates, halides, and perovskites, along with their heterostructures, have been fundamentally hindered by their rapid chemical degradation. Another critical challenge imposed by exfoliating and stacking 2D layers in ambient environment is the absorption of itinerant gas molecules that further contaminate sensitive 2D interfaces in the heterostructures. Such contamination and compromised material properties significantly hinder surface-sensitive local probes—scanning probe microscopy (SPM)—that often require nanometer to atomic scale surface cleanliness. In this article, we aim to provide a technical review of recent development toward 2D materials and heterostructure fabrication in more controlled environments that are suitable for SPM characterizations. These include the development of more efficient mechanical exfoliation and dry-transfer techniques, as well as the incorporation of 2D material exfoliation and transfer in inert gas, low vacuum, and, eventually, ultra-high vacuum environments. Finally, we provide an outlook on the remaining challenges and opportunities in ultra-clean 2D material fabrication techniques.

Materials Science↗
DOE OSTI2023

Conservation of Helium while Maintaining High System Purity

Recent helium shortages and helium price increases have lead to an increased emphasis being placed on conserving helium. The need to conserve helium must be balanced with need to maintain the high levels of purity necessary to prevent operational problems caused by contamination. Helium losses and contamination control are especially important for test stands that have cryogenic distribution systems operating continuously with frequent changeover of cryogenic temperature components that are being tested. This paper describes a mathematical model to estimate the quantity of helium lost and the purity of the helium after the pump and backfill procedure is complete. The process to determine the optimal time during pump down to cut off pumping and start backfilling is described. There is a tradeoff between trying to achieve the lowest possible pressure during pumping and the quantity of air leaking into the volume while pumping is occurring. An additional benefit of careful selection of pump and backfill parameters in conjunction with real-time pressure monitoring can reduce the labor and time required to complete a successful pump and backfill procedure. This paper is intended to be a tool for engineers to review their pump and backfill procedures and measured data to optimize helium losses, system purity, and labor required.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Conservation of Helium while Maintaining High System Purity

Recent helium shortages and helium price increases have lead to an increased emphasis being placed on conserving helium. The need to conserve helium must be balanced with need to maintain the high levels of purity necessary to prevent operational problems caused by contamination. Helium losses and contamination control are especially important for test stands that have cryogenic distribution systems operating continuously with frequent changeover of cryogenic temperature components that are being tested. This paper describes a mathematical model to estimate the quantity of helium lost and the purity of the helium after the pump and backfill procedure is complete. The process to determine the optimal time during pump down to cut off pumping and start backfilling is described. There is a tradeoff between trying to achieve the lowest possible pressure during pumping and the quantity of air leaking into the volume while pumping is occurring. An additional benefit of careful sel ection of pump and backfill parameters in conjunction with real-time pressure monitoring can reduce the labor and time required to complete a successful pump and backfill procedure. This paper is intended to be a tool for engineers to review their pump and backfill procedures and measured data to optimize helium losses, system purity, and labor required.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Lessons Learned from Hanford's Purex Tunnel 2 Structural Stabilization Project - 20509

In 2019, U.S. Department of Energy (DOE) contractor CH2M Hill Plateau Remediation Company (CHPRC) completed structurally stabilizing the Plutonium Uranium Extraction Plant (Purex) waste storage Tunnel 2 with engineered grout. This action significantly reduced risk to Hanford workers, the surrounding community and environment by preventing future collapse of the tunnel and possible release of radioactive materials. Decades of plutonium production at the Purex facility required construction of two large underground tunnels for storage of highly contaminated plutonium processing equipment that had failed during the operation of Purex and other facilities across the Hanford Site. Following the partial collapse of Purex Tunnel 1 on May 9, 2017, DOE and CHPRC took immediate action to safely stabilize the collapsed section of the tunnel. The hole in the tunnel was filled the next day as a temporary stabilization measure, and no contamination was detected as a result of the partial collapse of the tunnel. Workers then stabilized Tunnel 1 in its entirety by filling with engineered grout, which also encapsulated the radioactive equipment and railcars within the tunnel. Grouting eliminated the risk of further collapse and stabilized the tunnel contents, all while not precluding future remedial actions or final closure decisions. While conducting an integrity analysis of Tunnel 1 by using construction drawings, photos and other historical documents, project teams also analyzed the much larger Purex Tunnel 2. The analysis found Tunnel 2 did not meet current codes for structural integrity, and it may not be able to bear the weight of the soil above the tunnel. Therefore, it was determined that Tunnel 2 was also at risk of collapse. DoE's independent panel of experts determined grouting to be the best choice for stabilizing Tunnel 2 because it provides the highest level of stability and protection, and does not preclude future remedial actions. DOE authorized CHPRC to commence work and the Purex Tunnel 2 Structural Stabilization Project was launched in December of 2017. The paper will discuss the process of recognizing the following critical aspects and risks associated with stabilizing Tunnel 2, and the actions taken by the project team to mitigate these risks, including: - Tunnel investigation and data collection to assist with future remediation; - On-site batching and mock-ups to provide the large quantity of grout required for stabilizing the tunnel; - Workforce involvement and innovative actions that mitigated the project's most significant potential hazards, including traffic control; - Project team high level of execution translated into successful project execution. Sharing lessons learned from this critical risk-reduction effort can enhance the safety and efficiency of other complex and hazardous projects across the DOE complex. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Suppressing CO formation in low-temperature methanol steam reforming via Ce-modified CuZnGa layered oxide catalysts

Cu-based layered double hydroxides (LDHs) are widely recognized as effective catalysts for low-temperature methanol steam reforming, yet achieving high hydrogen productivity together with near-complete suppression of CO formation remains challenging. Here, we report the synthesis and evaluation of a series of CuZnGa LDH-derived catalysts and Ce-modified analogues prepared via an aqueous miscible organic method, which enables high metal dispersion and precise structural control. The optimized CuZnGa catalyst exhibits a hydrogen production rate of 16.9 µmol H 2 ·g cat −1 ·s −1 at 180 °C with an H 2 /CO ratio exceeding 3500, outperforming many state-of-the-art low-temperature systems. Importantly, the incorporation of small amounts of Ce further suppresses CO formation while maintaining high hydrogen productivity. Combined spectroscopic characterization and density functional theory calculations reveal that Ce is incorporated into the LDH lattice by substituting Ga 3+ sites up to a critical threshold, beyond which highly dispersed CeO x species are formed. These species provide mobile lattice oxygen that participates in a Mars-van Krevelen-type pathway, selectively oxidizing CO and suppressing the reverse water-gas shift reaction. This study establishes a clear relationship between Ce speciation, oxygen mobility, and catalytic selectivity in LDH-derived systems. The resulting catalysts demonstrate the potential of interface-engineered Cu-based materials for efficient low-temperature hydrogen production with minimal CO contamination.

09 BIOMASS FUELS↗
DOE OSTI2019

Evolution of Stakeholder Relations at the Mound Laboratory-End of DoE's Mission to the Present - 19551

In November 1989, the same month the Berlin Wall fell, the US Environmental Protection Agency (EPA) placed the Mound Laboratory (Mound Plant or Mound site) in Ohio on the National Priorities List (NPL) due to volatile organic compound contamination in the groundwater. As a result of the Cold War ending, the United States sought to greatly reduce the nation's nuclear weapons arsenal, consolidate the US Department of Energy's (DOE) mission, and close many DOE facilities. In 1991, the City of Miamisburg learned that DOE was planning to close the Mound Laboratory. The city spent two years lobbying in Washington, DC, to keep the facility open; however, that effort was not successful. By 1993, DOE, EPA, and Ohio EPA had signed a Federal Facility Agreement that formalized EPA and Ohio EPA oversight of the DOE environmental cleanup of the Mound NPL site under the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA). The decontamination and cleanup of the Mound site fell under two federal laws, CERCLA and the Resource Conservation and Recovery Act. DOE, EPA, Ohio EPA, the City of Miamisburg, and other local stakeholders all agreed that the Mound site should be cleaned up to an industrial/commercial land use standard. This would allow the site to transition into a privately owned business park. In 1994, the City of Miamisburg created the nonprofit Miamisburg Mound Community Improvement Corporation (MMCIC) that would own, market, and redevelop the site. The City also chartered the Mound Reuse Committee to act as an independent advisory organization, composed of representatives from the local community and business, government, education, and special interest groups. In 1994, DOE and the MMCIC entered into a lease agreement that facilitated immediate reuse of site buildings that were no longer required by DOE and did not require remediation. In 1995, DOE, EPA, and Ohio EPA developed the Mound 2000 Process to more effectively use CERCLA Removal Action authority to evaluate and remediate, as necessary, disparate areas of the Mound site. The Mound 2000 process divided the site into smaller, more manageable areas that accelerated cleanup and allowed areas to be reused more quickly. All areas of the Mound site were cleaned up to meet the EPA standard for industrial/commercial land use. The CERCLA process included opportunities for the public to review proposed cleanup strategies. Public input on cleanup and reuse included that from local citizens, businesses, Miamisburg City Council, local schools and financial institutions, Ohio EPA, Montgomery County, and the State of Ohio. In 1998, while site cleanup was still in process, DOE agreed to sell the entire Mound property to the MMCIC for $10.00. The site sales agreement accelerated reuse by allowing DOE to offer ownership of discrete land parcels to MMCIC as soon as EPA confirmed those areas met CERCLA standards for property transfer. This allowed the Mound site to become one of the first former DOE weapons sites to transition to reuse as a privately owned and operated community asset. Many other former DOE production facilities require continued federal ownership to protect the integrity of the environmental cleanup. In 2011, the MMCIC changed its name to the Mound Development Corporation (MDC) and continued to transition the site for reuse as part of the Mound Business Park. The MMCIC/MDC is a nonprofit economic development arm of the City of Miamisburg. DOE supported the economic development efforts with grants and matching funds. Individual land parcels were transferred from DOE to the MDC according to the DOE Mound Land Transfer Process. Ownership of parcels was transferred to the MDC via quitclaim deeds with no repair, replacements, or rebuild of areas. Each parcel's quitclaim deed contains the CERCLA institutional controls. To reduce the property tax burden, the Miamisburg City Council passed an ordinance that allowed the City to accept temporary ownership of specific parcels and hold ownership until the MDC could either lease or sell them. With the exception of one 23-acre parcel that includes the Operable Unit 1 area (site of former sanitary landfill), the entire site has been transferred to the MDC. Today, the former Mound Laboratory site is home to the vibrant Mound Business Park operated by the MDC. The site contains numerous buildings with active businesses and multiple areas suitable for new construction. Private companies continue cutting-edge work that carries forward the legacy of more than 50 years of DOE research, development, production, and inspiration from the former Mound Laboratory scientists, engineers, technicians, and support personnel. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Tribochemical Conversion of Methane to Graphene and Other Carbon Nanostructures: Implications for Friction and Wear

Tribochemistry involves chemical reactions occurring at sliding contact interfaces in the presence of gaseous and/or liquid media. It often leads to the formation of a solid reaction film (also termed boundary film) which controls friction and wear and hence the efficiency and reliability of moving mechanical systems (such as engines). Here we demonstrate tribochemical conversion of methane to graphene, nano-onion, and disordered carbons on the sliding surfaces of Ni-, Cu-, and CuNi-containing VN coatings at atmospheric pressure and room temperature, providing 2-3 orders of magnitude reduction in wear and similar to 50% reduction in friction compared to those of the uncoated steels. Transmission electron microscopy confirms that graphene forms preferably on metal rich nanoclusters of the composite coatings, while the carbon nano-onions are scattered throughout the carbon tribofilm. Ab initio molecular dynamics simulations elucidate underlying mechanisms involved in the tribochemical conversion of methane to carbon- based nanostructures in support of microscopic observations. These scientific findings may lead to new materials technologies that can use methane as a source for continuous and in situ lubrication. For example, there is an urgent need to curtail the uses of lubricating oils in natural gas compressors and engines as they contaminate the natural gas being compressed or burnt.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A Limited-In-Scope Comparison of Subsidence Scenarios For 3D Vadose Zone PORFLOW Trench Models

This technical memorandum summarizes the results from two separate sequences of 3D PORFLOW vadose zone flow and contaminant transport models that were used to test the impact of different spatial distributions of subsidence boundary conditions. More specifically, the two simulation setups used a general conceptual model for an engineered trench (ET): one with a subsided region specified in the center of the trench and one with a subsided region located at the end of the trench. Both subsided regions had the same geometric specifications (e.g., length, width, orientation), but used water infiltration rate boundary conditions that appropriately accounted for surface runoff and lateral drainage from the adjacent upslope intact regions of the final closure cap. Because of the substantially higher water infiltration rate associated with the subsided region at the end of the trench, this geometry produced higher absolute peak fluxes to the water table for all six radionuclides that were simulated. However, the slower release rate of the centrally located subsided hole geometry produced a higher flux to the water table in the time period subsequent to the absolute peak. A third model was implemented as a control, where the water infiltration rate that corresponds to the centrally located subsided region was applied at the end of the trench to highlight the purely geometric effects. The results show that a higher water infiltration rate produces a sharper peak, while a lower infiltration rate leads to a broader peak. A centrally located hole impacts more of the waste zone, producing a higher peak when an equal infiltration rate is applied. These generalized qualitative differences, and their impacts on the overall modeling workflow (i.e., from vadose zone models to limits and dose calculations), should receive appropriate consideration during the development of conceptual models.

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

Viral and bacterial community responses to stimulated Fe(III)–bioreduction during simulated subsurface bioremediation

The delivery of fermentable substrate(s) to subsurface environments stimulates Fe(III)–bioreduction and achieves detoxification of organic/inorganic contaminants. Although, much research has been conducted on the microbiology of such engineered systems at lab and field scales, little attention has been given to the phage–host interactions and virus community dynamics in these environments. The objective was to determine the responses of soil bacterial communities and viral assemblages to stimulated anaerobic Fe(III)–bioreduction following electron donor (e.g. acetate) addition. Microbial communities, including viral assemblages, were investigated after 60 days of Fe(III)–bioreduction in laboratory–scale columns continuously fed with acetate–amended artificial groundwater. Viral abundances were greatest in the influent section and decreased along the flow path. Acetate availability was important in influencing bacterial diversity, microbial interactions and viral abundance and community composition. The impact of acetate addition was most evident in the influent section of the columns. The increased relative abundance of Fe(III)–reducing bacteria coincided with an increase in viral abundance in areas of the columns exhibiting the most Fe(III) reduction. In conclusion, the genetic composition of viruses in these column sections also differed from the control column and distal sections of acetate–treated columns suggesting viral communities responded to biostimulated Fe(III)–bioreduction.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Electronics Upgrades to the Green is Clean Phoswich Detector Systems and Programmatic Implementation at LANL - Phase II Completion - 18403

Los Alamos National Laboratory (LANL) radiological facilities produce low-density room trash that, in many cases, is not contaminated with radioactivity. It has been estimated that 50 to 90% of low-density room trash is free of radioactive contamination and eligible for inclusion in LANL's Green is Clean (GIC) program. The GIC program is a verification program for non-regulated waste from radiation controlled areas that has been actively segregated as nonradioactive through the use of the waste generator's acceptable knowledge. The GIC program has employed two large area Phoswich gamma ray detector systems (HERCULES and ZEUS) to verify that GIC candidate low-density waste contains no radioactivity above background. The large area (127 cm{sup 2}) Phoswich detectors consist of a thin NaI front crystal (3 mm thick) that is optically coupled to a thick CsI back crystal (50 mm thick). The scintillation properties of the two crystals are different enough to allow the system's electronic components to identify the origin of any pulse. The original systems utilize Nuclear Instrumentation Module (NIM) electronics to process the detector signals. The electronics currently in use by the systems are out of date and some components are no longer manufactured. In 2015, phase I upgrades to the GIC detector systems were completed. Phase I objectives included identifying more modern commercially available electronics that could replace the NIM electronics. A pulse shape discriminator (PSD) module, the Digital Gamma Finder (DGF) Pixie-4 made by XIA LLC, that fits in a compact National Instruments{sup TM} PXI chassis was identified to replace the majority of the original NIM bin electronics - a single Pixie-4 module replaces four NIM amplifiers and four NIM pulse shape analyzers (PSAs). Another phase I objective was to show that that new PSD could separate out the NaI and CsI detector signals in a manner equivalent to or better than the NIM electronics. Proof of concept was achieved in 2015 when a prototype upgrade system on ZEUS was built and tested and gating parameter settings were determined that successfully separated the NaI and CsI signals. Phase II required establishing a LabVIEW software interface with Pixie-4 electronics in lieu of the manufacturer provided Pixie-4 software called the Pixie Viewer. In addition, phase II included 1) final optimization of the gating parameters on the prototype Pixie-4 ZEUS system, 2) finalizing Requirements, Design and Test Plan documents, 3) LabVIEW software interface quality assurance (QA) testing, 4) setting up the HERCULES system with the Pixie-4 upgrade electronics, 5) check source and background calibration of both systems, 6) absolute efficiency determination on both systems and 7) procedure revisions and implementation of both systems into routine operations. In 2017 phase II was completed including the preparation of detailed Requirements, Design and Test Plan documents. The LabVIEW interface software that communicates and controls the Pixie-4 has been completed, merged with the preexisting LabVIEW operations software and fully tested. Gating parameter optimization, configuration of HERCULES with the Pixie-4 electronics, check source and background calibrations and absolute efficiency determinations have all been performed - quantitative results are presented in the full paper. For performance validation, comparison measurements of actual GIC bags on both the HERCULES system using the old NIM Bin electronics and the ZEUS system using the upgraded Pixie-4 electronics have been done and evaluated. Finally, procedure revisions and implementation of both systems into routine operations is currently in process and planned to be complete by the end of calendar year 2017. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗