SEARCH · Engineering Papers

Results for “mixed conduction”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,099 records · Page 61

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Evaluation of Nuclear Spent Fuel Disposal in Clay-Bearing Rock - Process Model Development and Experimental Studies

The DOE R&D program under the Spent Fuel Waste Science Technology (SFWST) campaign has made key progress in modeling and experimental approaches towards the characterization of chemical and physical phenomena that could impact the long-term safety assessment of heat-generating nuclear waste disposition in deep clay/shale/argillaceous rock. International collaboration activities such as heater tests and postmortem analysis of samples recovered from these have elucidated key information regarding changes in the engineered barrier system (EBS) material exposed to years of thermal loads. Chemical and structural analyses of sampled bentonite material from such tests has as well as experiments conducted on these are key to the characterization of thermal effects affecting bentonite clay barrier performance and the extent of sacrificial zones in the EBS during the thermal period. Thermal, hydrologic, and chemical data collected from heater tests and laboratory experiments has been used in the development, validation, and calibration of THMC simulators to model near-field coupled processes. This information leads to the development of simulation approaches (e.g., continuum vs. discrete) to tackle issues related to flow and transport at various scales of the host-rock and EBS design concept. Consideration of direct disposal of large capacity dual-purpose canisters (DPCs) as part of the back-end SNF waste disposition strategy has generated interest in improving our understanding of the effects of elevated temperatures on the EBS design. This is particularly important for backfilled repository concepts where temperature plays a key role in the EBS behavior and long-term performance. This report describes multiple R&D efforts on disposal in argillaceous geologic media through development and application of coupled THMC process models, experimental studies on clay/metal/cement barrier and host-rock (argillite) material interactions, molecular dynamic (MD) simulations of water transport during (swelling) clay dehydration, first-principles studies of metaschoepite (UO 2 corrosion product) stability, and advances in thermodynamic plus surface complexation database development. Drift-scale URL experiments provides key data for testing hydrological-chemical (HC) model involving strong couplings of fluid mixing and barrier material chemical interactions. The THM modeling focuses on heater test experiments in argillite rock and gas migration in bentonite as part of international collaboration activities at underground research laboratories (URLs). In addition, field testing at an URL involves in situ analysis of fault slip behavior and fault permeability. Pore-scale modeling of gas bubble migration is also being investigated within the gas migration modeling effort. Interaction experiments on bentonite samples from heater test under ambient and elevated temperatures permit the evaluation of ion exchange, phase stability, and mineral transformation changes that could impact clay swelling. Advances in the development, testing, and implementation of a spent nuclear fuel (SNF) degradation model coupled with canister corrosion focus on the effects of hydrogen gas generation and its integration with Geologic Disposal Safety Assessment (GDSA). GDSA integration activities includes evaluation of groundwater chemistries in shale formations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Powering Data Centers with Clean Energy: A Techno-Economic Case Study of Nuclear and Renewable Energy Dependability

Rising data demands from artificial intelligence (AI) and large language models (LLMs) generating images, videos, and text have prompted increased need for larger and more robust data centers in the United States. Major companies interested in these larger data centers face the choice of linking them to existing regional grids, building stand-alone power supplies onsite, or a combination of both. The request, review, and approval process for new transmission lines to grids in the United States, however, has grown in recent years to times spans rivaling those of new construction for nuclear power plants. Building an islanded power supply for each data center is therefore becoming a prominent option. In this case study, several technologies are modeled in techno-economic simulations for long-term system costs subject to fixed electricity demand from a singular data center. A 250 MWe data center is assumed with additional 50 MWe for resiliency. Techno-economic simulations are conducted using the Holistic Energy Resource Optimization Network (HERON) software, which is a part of the Framework for Optimization of Resources and Economics (FORCE) tool suite. Technologies considered include solar, wind, lithium-ion batteries, and several types of nuclear reactors: large-scale reactors, small modular reactors, and microreactors. A low- and high-cost estimate for each technology is assumed to develop a range of expected economic performance. Low-cost estimates included several clean energy production tax credits. Different combinations of renewable energy generators with nuclear reactors are considered, ranging from a fully renewable-powered data center to a fully nuclear-powered data center. Historic time series of wind and solar availability from the Texas grid are used to train a reduced order model; this model then generates unique time series with similar characteristics of the training dataset. Multiple scenarios of weather and subsequent operations are simulated for each renewable-nuclear combination to determine total costs throughout the project lifetime. Fully renewable-powered configurations required large amounts of installed capacity (GW scale) in the simulations to meet the fixed demand of the data center. This is due to some scenarios in the historical dataset which captured low-wind and low-solar days, requiring over-building of these technologies as well as batteries to compensate for the low amounts of electricity generation. Fully nuclear-powered configurations outperformed the fully renewable and mixed renewable-nuclear configurations in terms of cost, with ranges between $1B and $10B in 2023 USDs compared to $40B+ for fully renewable configurations. Of the nuclear technologies, small modular reactors performed better economically than large-scale nuclear models due to lower projected capital costs, and both performed better than the microreactor models. These results demonstrate the applicability of firm, dispatchable electricity resources from baseload generators like nuclear power plants for operating facilities that run at constant power without daily variability.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Low-energy electronic structure of perovskite and Ruddlesden-Popper semiconductors in the Ba-Zr-S system probed by bond-selective polarized x-ray absorption spectroscopy, infrared reflectivity, and Raman scattering

Chalcogenides in perovskite and the related layered Ruddlesden-Popper crystal structures ( chalcogenide perovskites for brevity) are an exciting family of semiconductors but remain experimentally little studied. Chalcogenide perovskites share crystal structures and some physical properties with ionic compounds such as oxide and halide perovskites, but the metal-chalcogen bonds responsible for semiconducting behavior are substantially more covalent than in these more-studied perovskites. In this study, we use complementary experimental and theoretical methods to study how the mixed ionic-covalent Zr-S bonds support the electronic structure and physical properties of perovskite BaZrS 3 and Ruddlesden-Popper Ba 3 Zr 2 S 7 . We apply theoretical methods to assign features of experimentally measured x-ray absorption spectroscopy (XAS) to particular orbital transitions, enabling a clear physical interpretation of angle-dependent, polarized XAS data measured on single-crystal samples, and an atomistic view of the covalent bonding network that facilitates charge transport. Polarized Raman measurements identify signatures of crystalline anisotropy in Ba 3 Zr 2 S 7 and enable the first assignments of mode symmetry in this material. Infrared reflectivity reveals electronic transport properties that augur well for the use of chalcogenide perovskites in optoelectronic and energy-conversion technologies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Igiugig Site Visit Report

The National Renewable Energy Laboratory (NREL) team conducted a site visit during January 23-25, 2019 with the Igiugig Village Council (IVC) and other stakeholders to assist the community of Igiugig in refining their long-term energy strategy. The agenda included a tour of the village, data collection, presentations, long-term visioning exercises, identification of energy scenarios, and a school presentation. Participants in the site visit activities spanned a range of local, regional, government, and industry participation. There were 24 attendees at the all-day community workshop on Thursday, January 24th, with participants from the IVC, NREL, Bristol Bay Native Association (BBNA), Bristol Bay Native Corporation (BBNC), Lake and Peninsula Borough, Alaska Energy Authority, Intergrid, ORPC, Deer Stone Consulting, the Southwest Alaska Municipal Conference, and University of Alaska Fairbanks - Alaska Center for Energy and Power. Igiugig is a well-organized rural Alaskan community, with a leadership team that appears to have broad community support. The use of consensus-based decision making is one tangible example of how the leadership team actively invokes and promotes community-focused thinking. The NREL team observed anecdotal evidence of how this approach seems to be strengthening the community: active participation in the visioning exercise, a student hosted fund-raiser dinner at the school, a clean and organized landfill, and well-maintained roads and buildings. Igiugig has wind, solar, and river hydrokinetic resources readily available within the community. Wind has shown to be a promising resource in the region, and has been integrated into microgrids around the state, but the community has had mixed success with wind technologies: some devices failed quickly and others continue to operate. The economics of solar energy are improving in Alaska, and economical solar projects are being installed around the state. Considering that economic activity in Igiugig peaks during the summer sport fishing season, solar could prove to be a valuable supplement to the electrical system. Igiugig has been a test site for two different river hydrokinetic devices, and they have began a third project to operate ORPC's RivGen device, which is delivering valuable device performance data, operations and maintenance experience, and design refinement information. Already, this device has made over 7-million revolutions, and delivered over 8 MWh of power to the community. Igiugig's river resource is fairly unique because it is available year-round and has the potential to provide reliable base-load power for months at a time. A preliminary investigation of this diverse resource mix suggests that Igiugig could achieve very high levels (70% or more) of annual renewable generation contributions. A critical step in pursuing this path is identifying the mix of energy assets (generation and storage) that best meets the community's budget, needs, and goals. The assets that a community installs early in their grid-modernization initiative can constrain the options that are economical at later stages, which may lead to sub-optimal solutions. This is where technical and economic analysis of potential scenarios (i.e., distinct mixes of energy assets) can be useful in identifying the most promising pathways so that a community can make informed and strategic decisions about the assets they install. These analyses are most accurate and informative when they are based on actual technology performance and cost data. As the RivGen project continues to operate and generate this data, we will be better prepared to evaluate the technology's long-term viability and to identify research areas that would improve it. Igiugig's energy projects are at the cutting edge of two intersecting technology areas: 1) deploying an operational river hydrokinetic turbine, and 2) integrating renewable energy sources to achieve very high percent renewables. If these projects are successful, the lessons learned and technologies developed could be valuable for other microgrids around the world. Igiugig's unique resource mix make it an ideal location for this work, and the community's organizational strength make it an ideal partner in this ground-breaking work. Ongoing support for technical assistance to manage and address technical challenges along the way will maximize the probability of project success.

13 HYDRO ENERGY↗

DOE OSTI2024

Eligibility Assessment of Items in the TA-60 Rack Assembly and Alignment Complex Legacy Storage Yard

The U.S. Department of Energy, National Nuclear Security Administration, Los Alamos Field Office (NA-LA), documented and evaluated seven structures in the Technical Area 60 (TA-60) Rack Assembly and Alignment Complex (RAAC) legacy storage yard at Los Alamos National Laboratory (LANL or Laboratory) for listing in the National Register of Historic Places (National Register). This documentation and evaluation was conducted in compliance with Section 106 of the National Historic Preservation Act of 1966, as amended; the Code of Federal Regulations (36 CFR 800); the Programmatic Agreement among the U.S. Department of Energy, National Nuclear Security Administration, Los Alamos Field Office, the New Mexico State Historic Preservation Office and the Advisory Council on Historic Preservation Concerning Management of the Historic Properties at Los Alamos National Laboratory, Los Alamos New Mexico (PA)1; and A Plan for the Management of the Cultural Heritage at Los Alamos National Laboratory, New Mexico (LANL’s Cultural Resources Management Plan (2017). NA-LA makes the following National Register eligibility determinations: la cuna; the rack transporter (jeep, rack trailer, and steering dolly); the Mexia diagnostic rack; the Mexia device canister; the Mexia device mounting stand; and the Mexia target stand are eligible for listing in the National Register, and the second steering dolly is not eligible for listing in the National Register. This National Register evaluation was completed because LANL proposes to develop a consolidated waste facility in TA-60 next to the former RAAC. Across 3.56 acres, LANL proposes to construct an 8,000-square-foot, pre-engineered waste storage building; a 1,500-square-foot office/warehouse building; and 28,500 square feet of covered storage. The development will also include access control features and fencing, parking spaces, and utilities. Additionally, the Laboratory will continue to use the southern part of TA-60-0017 and reuse TA-60-0086 and TA-60-0324 in the development. The consolidated waste facility will operate as a central accumulation area—storing universal waste, mixed low-level (radioactive) waste, hazardous chemicals, and New Mexico special waste—until the waste can be shipped off site.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2020

Moisture-Induced Crystallographic Reorientations and Effects on Charge Carrier Extraction in Metal Halide Perovskite Solar Cells

Lead halide perovskites (LHPs) are promising semiconductors for optoelectronic applications. In LHP solar cells, the focus thus far has been mainly on compositional optimization of the MHP layer, without much understanding of the effects of compositional mixing on structure and texture. This is a serious gap in our knowledge because research has shown that texture underlies the mechanisms of charge carrier and ionic transport. Therefore, it is essential to understand the mechanisms that drive changes in texture in LHPs. Here we examine the effect of moisture and composition on the structure and texture of LHPs and their impacts on optoelectronic properties. Exposure to moisture is shown to induce a crystallographic reorientation in the polycrystalline films, which is also dependent on the amount of organic cation material present at the surface. For films with an excess of organic halide, moisture was shown to induce texture in the (001) plane contributing to the enhancement of photocurrents and long-term device stability. This work shows the importance of texture for the electronic properties of LHPs with a special emphasis on charge carrier extraction in optoelectronic devices.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Gasification of Mixed Blends of Coal, Biomass, and Plastic Waste

The objective of this DOE-funded project by the Electric Power Research Institute, Inc. (EPRI), Hamilton Maurer International (HMI) and Sotacarbo S.p.A. (Sotacarbo), is to qualify coal, biomass, and plastic waste blends based on performance testing of selected pellet recipes in a pilot-scale updraft moving-bed gasifier. The testing provides relevant data to advance the commercial-scale design of the moving-bed gasifier to be able to successfully use these feedstocks to produce hydrogen. In particular, the effects of the waste plastics on feedstock development (i.e., blending and pelletizing) and the resulting products (i.e., syngas compositions, organic condensate production, and ash characteristics) are a focus. The gasifier is Hamilton Mauer International, Inc. (HMI)’s moving-bed gasifier, which has been proven capable of gasifying nearly all coal ranks. It has also shown the ability in prior testing work to gasify wood chips. However, mixtures of these fuels with plastic wastes had not yet been prepared and gasified together. The feedstocks were prepared by California Pellet Mill (CPM) under contract to HMI. The technical tasks for this research project included: • Feed Procurement and Preparation: Nine different feedstocks were prepared from varying compositions of PRB coal, corn stover biomass, and car fluff waste plastics. Fuel pellets were produced by California Pellet Mill (CPM) and shipped to Sotacarbo’s test facility in Italy. • Test Plan Development: A test plan was created to define the test runs to be performed. The test plan detailed the different tests that were run, instrumentation used, extractive samples taken, and relevant figures of merit. • Gasifier Testing: Tests were performed in the pilot-scale gasifier at Sotacarbo using nine different fuel feedstocks generated from varying mixtures of coal, biomass, and plastic wastes. The testing provides information on gasification reaction efficiency/performance, yielding relevant data for models used to scale up the gasifier design. This task will also included work to reassemble the gasifier at Sotacarbo and perform a baseline 100% coal run. • Data Analysis and Reporting: Review of the data, determination of figures of merit, and interpretation of the results was reported. The results can be used to specify the range of feedstock blends that can be successfully gasified as well as quantify gasifier outputs based on specific blends. The tri-fuel pelletizing conducted at CPM and gasification testing results from Sotacarbo’s 30mm up draft moving bed gasifier are significant. Providing data for an established gasifier to help accelerate its updated design to be able to accommodate feedstocks composed of coal, biomass, and plastic waste. This should ultimately lead to development and commercialization of a lower cost, white hydrogen generation system.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2020

Pluto's Ultraviolet Spectrum, Surface Reflectance, and Airglow Emissions

During the New Horizons spacecraft’s encounter with Pluto, the Alice ultraviolet spectrograph conducted a series of observations that detected emissions from both the interplanetary medium (IPM) and Pluto. In the direction of Pluto, the IPM was found to be 133.4 ± 0.6 R at Lyα, 0.24 ± 0.02 R at Lyβ, and <0.10 R at He i 584 Å. We analyzed 3900 s of data obtained shortly before closest approach to Pluto and detect airglow emissions from H i, N i, N ii, N{sub 2}, and CO above the disk of Pluto. We find Pluto’s brightness at Lyα to be 29.3 ± 1.9 R, in good agreement with preencounter estimates. The detection of the N ii multiplet at 1085 Å marks the first direct detection of ions in Pluto’s atmosphere. We do not detect any emissions from noble gases and place a 3σ upper limit of 0.14 R on the brightness of the Ar i 1048 Å line. We compare preencounter model predictions and predictions from our own airglow model, based on atmospheric profiles derived from the solar occultation observed by New Horizons, to the observed brightness of Pluto’s airglow. Although completely opaque at Lyα, Pluto’s atmosphere is optically thin at wavelengths longer than 1425 Å. Consequently, a significant amount of solar far-UV light reaches the surface, where it can participate in space weathering processes. From the brightness of sunlight reflected from Pluto, we find the surface has a reflectance factor (I/F) of 17% between 1400 and 1850 Å. We also report the first detection of a C{sub 3} hydrocarbon molecule, methylacetylene, in absorption, at a column density of ∼5 × 10{sup 15} cm{sup −2}, corresponding to a column-integrated mixing ratio of 1.6 × 10{sup −6}.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Small-scale Assessment of Simplified Ceramic Waste Form Processing

The feasibility of directly processing glass-bonded sodalite ceramic waste form materials by heating a mixture of Zeolite 4A, chloride salt, and sodium borosilicate binder glass was demonstrated by generating laboratory-scale materials. This direct processing method eliminates pre-setting the moisture content of the Zeolite 4A, eliminates the step of occluding salt in the prepared Zeolite 4A prior to processing, and can be conducted using larger particle sizes of crushed Zeolite 4A and crushed borosilicate glass than those called for in the current method. These simplifications are expected to facilitate material transfer and handling in a hot cell or controlled atmosphere environment and be more readily implemented at large scale than the current method. Most materials made to assess these simplifications were directly processed at 925 °C for two hours in an argon atmosphere glovebox, but one material was processed at 925 °C for four hours and one material was processed at 880 °C for two hours. Sodalite was generated and became microencapsulated by the binder glass in all materials. The microstructures were uniform throughout each product, were similar in all products, and were similar to the microstructures of materials made previously using the pressureless consolidation or hot isostatic pressing methods. Various formulations showed the efficiency of sodalite generation was not sensitive to the salt-to-Zeolite 4A ratio or salt-to-glass mass ratio, although a greater relative mass of glass is required to encapsulate sodalite generated from large particles of aggregated Zeolite 4A. The upper limit of salt loadings that can be effectively processed remains to be determined. The effectiveness of direct processing provided new insights into the conversion mechanism. The salt was likely dissolved into the glass that transported NaCl into the Zeolite 4A aggregates and sodalite was generated in situ as NaCl migrated from the outside of the aggregate inward. Other salt cations (e.g., potassium, strontium, cesium, and probably lithium) remain dissolved in the glass encapsulating the zeolite/sodalite domains. When the glass solidifies during cooling, small halite inclusion phases form in glass within sodalite domains and large mixed salt inclusions form in glass surrounding the sodalite due to the low solubility of chloride in the (solid) glass. Other salt cations were oxidized during processing and formed inclusions in the bulk glass (e.g., neodymium). Initial degradation tests show the dissolution behavior of directly processed CWF (SCWF) materials is similar to CWF materials made using different methods.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Whose Gas is it anyway? Differentiating the Source of a Large Soil Vapor Plume beneath Two Adjacent Waste Sites - 20487

DOE contractor CH2M Hill Plateau Remediation Company is currently responsible for conducting groundwater contamination monitoring at several RCRA treatment, storage, and disposal units located on the Hanford Site in Richland, Washington State. The Nonradioactive Dangerous Waste Landfill treatment, storage, and disposal unit presents a distinct groundwater monitoring problem because of a large multi-contaminant soil vapor plume beneath it that is a likely source of low-level volatile organic compound groundwater contamination. Adjacent to Nonradioactive Dangerous Waste Landfill is the Solid Waste Landfill. Volatile organic compounds are inventory components of both the Nonradioactive Dangerous Waste Landfill and the Solid Waste Landfill. Therefore, it is possible that both sites could be contributing to the soil vapor plume. For regulatory purposes, it is important to differentiate which site is the primary contributor of volatile organic compounds to the plume. An approach was developed to identify the primary volatile organic compound source of the soil vapor plume beneath Nonradioactive Dangerous Waste Landfill and Solid Waste Landfill. The site conceptual model hypothesis of vapor-phase volatile organic compound transport to the dissolved phase in groundwater was tested by a simple mathematical model of vapor/liquid equilibrium concentrations at the groundwater/air interface. Once it was shown that vapor-phase volatile organic compound transport to groundwater was a valid conceptual model for Nonradioactive Dangerous Waste Landfill and Solid Waste Landfill, spatial and statistical methods were used to determine the primary site contributing to the majority of volatile organic compounds to the soil vapor plume. Average groundwater chloroform, tetrachloroethene, and trichloroethene concentrations from Nonradioactive Dangerous Waste Landfill and Solid Waste Landfill monitoring network wells were plotted on maps of the facilities and immediate vicinities and compared to soil vapor sampling probe locations. Principal component analysis and mixing ratios were used to identify source contributions of each treatment, storage, and disposal unit to the plume. Results of the vapor/liquid equilibrium concentrations mathematical model showed that transport phenomena outweigh steady-state equilibria. Estimated vapor/liquid equilibrium concentrations were considerably lower than soil vapor measurements. The results indicate that dynamic vadose zone and groundwater factors such as decreased vapor concentrations with depth, vapor dilution from dispersion in the vadose zone, and advective and diffusional volatile organic compound dilution in groundwater result in groundwater volatile organic compound concentrations much less than would be measured under steady-state equilibrium conditions. Site source contribution differentiation by principal component analysis and mixing ratios was inconclusive using actual soil gas data because of the similarity in concentration values in both datasets for Nonradioactive Dangerous Waste Landfill and Solid Waste Landfill. Similar data populations suggest mixing of the vapor contributions from both sites by dispersion through the soil matrix pore spaces. However, when groundwater volatile organic compound data were compared between the Nonradioactive Dangerous Waste Landfill and Solid Waste Landfill monitoring networks, Solid Waste Landfill mean concentrations were higher, suggesting more vapor-phase volatile organic compound transport to groundwater at those locations. Simulated volatile organic compound soil vapor and groundwater datasets created to test the methods developed for this study show that the method can be successful in source differentiation when significantly different datasets are compared. This paper will describe a method of testing a conceptual model for vapor-phase contaminant transport to groundwater and for differentiating site sources of contaminants comprising a mixed-constituent soil vapor plume. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Dense hydrogen layers for high performance MagLIF

We report that Magnetized Liner Inertial Fusion (MagLIF) experiments driven by the Z machine produce >10 13 deuterium-deuterium fusion reactions. Simulations indicate high yields and gains (1000) with increased current and deuterium-tritium layers for burn propagation. Such a coating also isolates the metal liner from the gaseous fuel, which should reduce mixing of liner material into the fuel. However, the vapor density at the triple point is only 0.3 kg/m3, which is not high enough for MagLIF operation. We present two solutions to this problem. First, a fuel wetted low-density plastic foam can be used to form a layer on the inside of the liner. The desired vapor density can be obtained by controlling the temperature. This does however introduce carbon into the layer which will enhance radiation losses. Simulations indicate that this wetted foam layer can significantly contribute to the fusion yield when the foam density is less than 35 kg/m 3 . Second, we show that a pure frozen fuel layer can first be formed on the inside of the liner and then low temperature gaseous fuel can be introduced just before the implosion without melting a significant amount of the ice layer. This approach is the most promising for MagLIF to produce high yield and gain.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Fiscal Year 2020 Filtration of Hanford Tank Waste 241-AP-105

Bench-scale filtration testing of 15 liters of 241-AP-105 supernatant was conducted using a Mott inline filter Model 6610 (media grade 5) backpulsed dead-end filter (BDEF) in the hot cells of the Radiochemical Processing Laboratory at Pacific Northwest National Laboratory. The as-received samples were diluted with raw water from the Hanford Site to assess the propensity for solids to form upon dilution and to assess the impact those solids have on filtration performance. The feed was split into two batches. The first batch was settled and decanted as planned in Tank Side Cesium Removal operations. The BDEF was used to filter this AP-105 feed at a targeted flux of 0.065 gpm/ft 2 and exhibited no measurable pressure increase during filtration. The second batch was fed to the BDEF with solids resuspended. This was also operated at the targeted flux of 0.065 gpm/ft 2 . In this case, the target pressure differential of 2 psid (resistance of 6.24 × 10 10 m -1 ) was reached in slightly more than 12 h. A backpulse restored the filter flux; however, the time to the next backpulse was slightly shorter. These tests indicate that after the addition of raw water, settle and decant effectively removed solids from the feed. It is not possible to assess the time required for these solids to settle based on the result from these tests. However, if sufficient time is allowed for the solids to settle, no measurable filter fouling was observed in current testing. In contrast, if insufficient time is allowed for solids to settle, filter fouling will occur relatively quickly and will likely require backpulses more frequently than every 12 hours (1.91 m 3 /m 2 volume filtered). Solids concentrated from backpulse solutions displayed large variability in composition with Al-silicates and mixed chromium-aluminum oxide phases. Amounts of Mg, Fe, and Ca were also found in the presence of Na and O. These solids could be grouped in three categories: (1) soluble Na-salts that formed large block-like particles but were made up of fibrous materials, (2) amorphous Al-phases, and (3) colloidal iron oxides with an average particle diameter of 4.2 µm.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Tuscaloosa Marine Shale Laboratory

The Tuscaloosa Marine Shale (TMS) in Louisiana and Mississippi is an Upper Cretaceous source rock formation sandwiched between the sands of the upper and lower Tuscaloosa sections. The TMS is believed to be the source rock for underlying prolific Tuscaloosa sand formation. The TMS has an unproven estimate of 7,000,000,000 bbls of recoverable oil while its current total average production is about 3,000 bbls of oil per day in 2017. In 2013 and 2014, more than 80 wells were drilled horizontally into the TMS that were fractured using multi-stage fracturing technology. The results from this have been mixed, but recent production for several wells show an appealing initial oil production rate of more than 1000 bbl/day. The preliminary core analysis by industry partners and a few literature studies shows that the TMS is one of the most clay-rich and sensitive shales to water. Due to these and other technical problems, there is high risk for the economic development of TMS compared to other shale plays. The experiences of major industrial players in the TMS show the necessity of open and collaborative efforts to better understand the critical gaps in the development of this challenging and potentially highly economic shale play to enable more cost-efficient and environmentally-sound recovery from this unconventional liquid-rich shale play. The overall objective of this project is to form a consortium of science and industry partners to address the following six major objectives using scientific and technical approaches: 1. To improve wellbore integrity by better understanding the sources of the wellbore instability issues, proposing innovative mud and cement design for the TMS. 2. To improve formation evaluation using laboratory techniques for the evaluation of mineralogical composition, organic content, and produced-water chemistry as well as well log and geophysical analysis. 3. To determine the role of geologic discontinuities on fracture growth and shale creep behavior using digital image correlation technique. 4. To investigate the application of stable CO 2 foam and super-hydrophobic proppants for improved reservoir stimulation. 5. To better understand the nature of water/hydrocarbon/CO 2 flow in clay and organic-rich formation and the role of water/fluid interaction on recovery. 6. To prepare better socio-economic environment for TMS development by community engagement. Subsequently, the TMS virtual laboratory conducted testing and analysis of various properties of rock and formation fluids from the TMS, including but not limited to the following: Analyzing reports and logs to better understand the source of wellbore instability in TMS wells; Experiments to design a customized cement based on TMS requirements; Experiments to obtain the mineralogical and geochemical composition of TMS samples; Seismic analysis of TMS geophysical data to better predict total organic carbon (TOC) content and brittleness in TMS; Well log analysis to better estimate the TOC and geo-mechanical properties of TMS; Experiments on formation water to understand the chemistry of produced water; Experiments to determine the role of lamination and natural fractures on fracture propagation or rock deformation using digital image correlation technique in in-direct tensile tests, semi-circular bend test and creep tests Experiments to determine the stability and rheological properties of nanoparticle-stabilized CO 2 foam in TMS rock samples; Experiments to determine fluid dynamics in un-propped TMS fractures and the role of nano-coating of proppants on fluid dynamics in fractures with proppants; Micro-fluidics experiments to enhance the understanding of fluid dynamics in tight liquidrich pores with high clay content; Socio-economic studies to better engage communities in TMS development.

58 GEOSCIENCES↗

DOE OSTI2020

Ducted Fuel Injection versus Conventional Diesel Combustion: An Operating-Parameter Sensitivity Study Conducted in an Optical Engine with a Four-Orifice Fuel Injector

Ducted fuel injection (DFI) has been shown to attenuate engine-out soot emissions from diesel engines. The concept is to inject fuel through a small tube within the combustion chamber to enable lower equivalence ratios at the autoignition zone, relative to conventional diesel combustion. Previous experiments have demonstrated that DFI enables significant soot attenuation relative to conventional diesel combustion for a small set of operating conditions at relatively low engine loads. This is the first study to compare DFI to conventional diesel combustion over a wide range of operating conditions and at higher loads (up to 8.5 bar gross indicated mean effective pressure) with a four-orifice fuel injector. This study compares DFI to conventional diesel combustion through sweeps of intakeoxygen mole fraction (XO 2 ), injection duration, intake pressure, start of combustion (SOC) timing, fuel-injection pressure, and intake temperature. DFI is shown to curtail engine-out soot emissions at all tested conditions. Under certain conditions, DFI can attenuate engine-out soot by over a factor of 100. In addition to producing significantly lower engine-out soot emissions, DFI enables the engine to be operated at low-NO x conditions that are not feasible with conventional diesel combustion due to high soot emissions.

42 ENGINEERING↗

DOE OSTI2024

Fatigue Testing and Characterization of Pre-hydrided Zircaloy-4 Cladding Tubes

The solubility of hydrogen in Zircaloy-4 (Zry-4) at the cladding operating temperature is near 100 wt. ppm. Above this solubility limit, excess hydrogen precipitates as δ-hydride platelets in the cladding material. Because of the effect of the thermal gradient across the cladding thickness on the migration and precipitation of hydrogen, hydride rims are often observed at the cladding outer surface; under excessive corrosion conditions hydride blisters are possible. It is well known that the fatigue of metal alloys, especially high cycle fatigue, is sensitive to the status of surface including the microstructure, roughness, and residual stress. Thus, the question considered herein, is whether excessive hydrogen pickup modifies the microstructure such that it has a degradation effect on the fatigue performance of cladding during operation. This report describes the evaluation of fatigue performance of a pre-hydrided Zry-4 cladding. A commercial Zry-4 was polished and pre-hydrided to 800 ppm and 1300 ppm H contents. The fatigue testing was conducted under strain control at 5 Hz with fully-reversed bending by using a cyclic integrated reversible bending fatigue tester (CIRFT). Six specimens with 1300 ppm and one specimen with 800 ppm were tested. Significant variation in test results were observed. While two of the 1300 ppm specimens failed with less than 1 ×10 5 cycles (at 0.32% and 0.41%), the four other samples did not fail over the strain amplitude range of 0.25% to 0.38%. Interestingly, the fracture initiation site of the failed samples was on the outside diameter (OD) surface rather than on the inside diameter (ID) surface as is typical for the as-polished cladding. This suggested a degrading effect of the hydriding process. Subsequently, three of the unfailed specimens were then further tested at ~0.43% to observe where failure initiation occurred. Significant variation was also observed in these three specimens. One specimen failed at ~9000 cycles while the two others failed at 43000 and 1.06 ×10 5 cycles. The performance here correlated to the location of failure initiation; failure initiated on the OD in the sample that failed after 9000 cycles while it initiated on the ID in the sample that failed after 43000 and 1.06 ×10 5 cycles. Flat features at the OD initiation sites suggest a brittle hydride feature on the surface of those samples was the cause of the degradation in fatigue performance, though the overall hydrogen levels in all samples was similar. A summary of all the observations is provided below: • The un-failed specimens with 1300 ppm H were cycled to failure with a higher amplitude near 0.43%. In addition, the fatigue-treated specimen tended to have a longer fatigue at the same induced amplitude. • Fractography revealed a mixed failure mode for the pre-hydrided specimen. Particularly, the specimen with fracture initiation site (FIS) located on the outer diameter surface of tube tended to have a shorter fatigue life than that of FIS on the inner diameter surface. • Etched cross section was shown to have hydride platelets aligned with tube longitudinal axis as expected, and the density of hydrides is at the similar level as in literature data. Meanwhile, a LECO procedure was applied for hydrogen concentration measurement, which showed the measured hydrogen contents are close to the nominal value. • With the polished cladding tube as baseline, O’Donnell-Lager (O-L) analysis showed that a decrease of about 50% in reduction-of-area (RA) would be needed for the O-L fitting to the fatigue data of 1300 ppm cladding. The suggestion for the next steps is provided.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

WO 3 /CuWO 4 Ratio Controls Open-Circuit Photovoltage and Photocurrent in Type II Heterojunction Solar Fuel Photoelectrodes

WO 3 /CuWO 4 photoelectrodes for the oxygen evolution reaction benefit from a type II heterojunction for charge separation. However, the impact of the WO 3 /CuWO 4 ratio on the photocurrent and the photovoltage is not clear. To probe the effect of composition, Cu x W 1-x O y thin films with variable W:Cu ratio were prepared on FTO by reactive magnetron co-sputtering of W and Cu, followed by air annealing at 500ºC. EDS, XRD, Rietveld refinement, and Raman spectroscopy confirm the presence of crystalline WO 3 and CuWO 4 in the W rich films and increasing amounts of amorphous copper oxides in the Cu rich films. Bandgaps were determined by optical absorption spectroscopy, surface photovoltage spectroscopy (SPS), and photoaction spectra and are found to decrease from 2.7 eV to 1.2 eV with increasing copper oxide content. SPS reveals n-type semiconductor photoanode behavior for WO 3 /CuWO 4 samples and p-type photocathode behavior for CuO x rich films. Photoelectrochemical experiments confirm stable water oxidation with Faraday efficiency near unity for all W rich films and photocurrents that are increasing with CuWO 4 content. Optimal performance is seen for WO 3 /CuWO 4 mixed phases containing 47-75 mass% CuWO 4 . These compositions maximize charge separation at the type II heterojunction interface between the two materials. Additionally, according to incident photon to current efficiency (IPCE) data, the WO 3 improves photon conversion below 350 nm, while CuWO 4 improves conversion at 450-525 nm. Overall, this work shows for the first time how the WO 3 /CuWO 4 ratio controls the photovoltage and the photocurrent in type II heterojunction solar fuel photoelectrodes, and how copper oxides in the copper rich films severely degrade the performance. Furthermore, these results are useful in the context of bulk-heterojunction electrodes for the conversion of solar energy into fuels.

CuWO4↗

DOE OSTI2022

DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization

In this work, we present DFT-FE 1.0, building on DFT-FE 0.6 [Comput. Phys. Commun. 246, 106853 (2020)], to conduct fast and accurate large-scale density functional theory (DFT) calculations (reaching ~ 100,000 electrons) on both many-core CPU and hybrid CPU-GPU computing architectures. This work involves improvements in the real-space formulation—via an improved treatment of the electrostatic interactions that substantially enhances the computational efficiency—as well high-performance computing aspects, including the GPU acceleration of all the key compute kernels in DFT-FE. We demonstrate the accuracy by comparing the ground-state energies, ionic forces and cell stresses on a wide-range of benchmark systems against those obtained from widely used DFT codes. Further, we demonstrate the numerical efficiency of our implementation, which yields ~ 20× CPU-GPU speed-up by using GPU acceleration on hybrid CPU-GPU nodes. Notably, owing to the parallel-scaling of the GPU implementation, we obtain wall-times of 80–140 seconds for full ground-state calculations, with stringent accuracy, on benchmark systems containing ~ 6, 000 – 15,000 electrons.

pseudopotential↗

DOE OSTI2023

Mapping brucellosis risk in Kenya and its implications for control strategies in sub-Saharan Africa

In Sub-Saharan Africa (SSA), effective brucellosis control is limited, in part, by the lack of long-term commitments by governments to control the disease and the absence of reliable national human and livestock population-based data to inform policies. Therefore, we conducted a study to establish the national prevalence and develop a risk map for Brucella spp. in cattle to contribute to plans to eliminate the disease in Kenya by the year 2040. We randomly generated 268 geolocations and distributed them across Kenya, proportionate to the area of each of the five agroecological zones and the associated cattle population. Cattle herds closest to each selected geolocation were identified for sampling. Up to 25 cattle were sampled per geolocation and a semi-structured questionnaire was administered to their owners. We tested 6,593 cattle samples for Brucella immunoglobulin G (IgG) antibodies using an Enzyme-linked immunosorbent assay (ELISA). We assessed potential risk factors and performed spatial analyses and prevalence mapping using approximate Bayesian inference implemented via the integrated nested Laplace approximation (INLA) method. The national Brucella spp. prevalence was 6.8% (95% CI: 6.2–7.4%). Exposure levels varied significantly between agro-ecological zones, with a high of 8.5% in the very arid zone with the lowest agricultural potential relative to a low of 0.0% in the agro-alpine zone with the highest agricultural potential. Additionally, seroprevalence increased with herd size, and the odds of seropositivity were significantly higher for females and adult animals than for males or calves. Similarly, animals with a history of abortion, or with multiple reproductive syndromes had higher seropositivity than those without. At the herd level, the risk of Brucella spp. transmission was higher in larger herds, and herds with a history of reproductive problems such as abortion, giving birth to weak calves, or having swollen testes. Geographic localities with high Brucella seroprevalence occurred in northern, eastern, and southern regions of Kenya all primarily characterized by semi-arid or arid agro-ecological zones dominated by livestock pastoralism interspersed with vast areas with mixed livestock-wildlife systems. The large spatial extent of our survey provides compelling evidence for the widespread geographical distribution of brucellosis risk across Kenya in a manner easily understandable for policymakers. Our findings can provide a basis for risk-stratified pilot studies aiming to investigate the cost-effectiveness and efficacy of singular and combined preventive intervention strategies that seek to inform Kenya’s Brucellosis Control Policy.

60 APPLIED LIFE SCIENCES↗