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DOE OSTI2023

Structuring Nutrient Yields throughout Mississippi/Atchafalaya River Basin Using Machine Learning Approaches

To minimize the eutrophication pressure along the Gulf of Mexico or reduce the size of the hypoxic zone in the Gulf of Mexico, it is important to understand the underlying temporal and spatial variations and correlations in excess nutrient loads, which are strongly associated with the formation of hypoxia. This study’s objective was to reveal and visualize structures in high-dimensional datasets of nutrient yield distributions throughout the Mississippi/Atchafalaya River Basin (MARB). For this purpose, the annual mean nutrient concentrations were collected from thirty-three US Geological Survey (USGS) water stations scattered in the upper and lower MARB from 1996 to 2020. Eight surface water quality indicators were selected to make comparisons among water stations along the MARB over the past two decades. Principal component analysis (PCA) was used to comprehensively evaluate the nutrient yields across thirty-three USGS monitoring stations and identify the major contributing nutrient loads. The results showed that all samples could be analyzed using two main components, which accounted for 81.6% of the total variance. The PCA results showed that yields of orthophosphate (OP), silica (SI), nitrate–nitrites (NO 3 -NO 2 ), and total suspended sediment (TSS) are major contributors to nutrient yields. It also showed that land-planted crops, density of population, domestic and industrial discharges, and precipitation are fundamental causes of excess nutrient loads in MARB. These factors are of great significance for the excess nutrient load management and pollution control of the Mississippi River. It was found that the average nutrient yields were stable within the sub-MARB area, but the large nitrogen yields in the upper MARB and the large phosphorus yields in the lower MARB were of great concern. t-distributed stochastic neighbor embedding (t-SNE) revealed interesting nonlinear and local structures in nutrient yield distributions. Clustering analysis (CA) showed the detailed development of similarities in the nutrient yield distribution. Moreover, PCA, t-SNE, and CA showed consistent clustering results. This study demonstrated that the integration of dimension reduction techniques, PCA, and t-SNE with CA techniques in machine learning are effective tools for the visualization of the structures of the correlations in high-dimensional datasets of nutrient yields and provide a comprehensive understanding of the correlations in the distributions of nutrient loads across the MARB.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Extended Low Load Boiler Operation to Improve Performance and Economics of an Existing Coal Fired Power Plant (Final Report)

The overall goal is to improve the performance and economics of existing coal fired power plants by extending low load boiler operation to lower loads than is currently achievable. The objective of this program is to develop and validate sensor hardware and analytical algorithms to lower plant operating expenses (OPEX) for the currently operating pulverized coal utility boiler fleet. Coal fired utility boilers are increasingly under grid dispatch pressure. In some cases, the coal fired cost of generation is noncompetitive with respect to natural gas generation and subsidized renewable sources. To remain profitable and remain fully compliant with existing environmental regulations, the installed coal fired fleet must find technologies which allow it to move into a more flexible cyclic load dispatch model. Today the installed coal fired utility fleet must be cost of generation competitive, fully emissions compliant, and responsive to the variability inherent in renewable energy generation sources. In the Phase I of the project, GE Steam Power, Inc. (GE) performed modeling of different operating scenarios for low load operation using an existing full plant dynamic model developed for a 660MW steam power plant. Sensors and analytic algorithms to enable a stable and steady coal supply for low load pulverizer operation were identified and tested at the Pulverizer Development Facility (PDF) at GE’s Clean Energy Center in Bloomfield, Connecticut. Sensors and analytic algorithms to enable stable combustion for low load operation were identified and tested at the 15 MWth Industrial Scale Burner facility (ISBF) at GE’s Clean Energy Center. A concept was developed to test the sensors and control algorithms, down selected after testing, at a full-scale coal fired power plant. A budget estimate was then developed, and the concept was implemented at an existing utility power plant. The specific objectives of the experimental work were to: • Identify and select sensors and analytic algorithms for monitoring coal pulverizer operation at lower loads to provide stable operation and appropriate coal fineness at lower coal throughput; Identify and select sensors and analytic algorithms for a Boiler Flame Stability Monitor to better balance air and fuel at each burner. This enables a reduction in a coal boiler’s safe low load power level while maintaining stable flame characteristics; Develop a concept in Phase I for low load operation of a full-scale power plant and develop a budget estimate for testing and execute the test plan at an existing plant in Phase II; Validate the capability of the extended low load boiler system to extend the minimum load operating point in a safe and reliable manner on an existing full-scale utility boiler. At the completion of this experimental study, GE has developed a set of sensors and analytic algorithms, down selected after testing, that have the potential to enable safe low load operation of a utility boiler. GE has also identified a host site for testing these identified sensors and analytic algorithms. GE has generated a full set of deliverables that provide sufficient information to proceed with the next step of testing at a host site. This includes a potential host site and budget estimate for concept testing at host site. In the Phase II of the project, a series of field tests were completed to validate the extended low load boiler operation, which consisted of detailed engineering, installation, commissioning, and testing the additional sensors and analytics for the coal-fired combustion system on an existing full-scale utility boiler. The optimization work has been supported by the host plant and endorsed by their engineering and operation staff.

01 COAL, LIGNITE, AND PEAT↗

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 OSTI2023

Preliminary Design of Critical Experiments Involving Commercially Available B 4 C Neutron Absorber Plates with Low-Enriched UO 2 Fuel

The International Criticality Safety Benchmark Evaluation Project (ICSBEP) is an initiative to provide high-quality benchmark data in a standardized format for criticality safety analysts to use to validate calculational tools and nuclear data. In the last released 2022 version, the ICSBEP handbook contains over 5,000 critical experiment descriptions, results, and associated models. This paper describes the critical configurations proposed and calculations performed as part of the conceptual design phase of Integral Experiment Request (IER) 554 (IER-554). The goal of IER-554 is to add to the benchmark experiments available to the criticality safety community by designing critical experiments that can analyze how adding commercially available Boralcan plates to an assembly of low-enriched UO2 fuel rods affects the effective neutron multiplication factor (k eff ). Boralcan, a neutron absorber product developed by Rio Tinto, is made of B4C in an Al 1100 matrix and is commonly used for criticality suppression in fuel storage pools. In the current version of the ICSBEP handbook, only a few dated critical experiments involve B4C materials, and none involve Boralcan in a thin plate shape. The experiments designed as part of IER-554 are intended to be performed at the Sandia Pulsed Reactor Facility/Critical Experiments (SPRF/CX) apparatus at Sandia National Laboratories. SPRF/CX is a well-characterized assembly considered trustworthy by the benchmarking community because of the numerous high-quality evaluations with very low experimental uncertainties included in the ICSBEP handbook. Figure 1 illustrates the assembly for a particular configuration from LCT-078, one of the published benchmarks in the ICSBEP handbook. The experiments will be moderated and reflected by light water at ambient atmospheric pressure. Before the plates are inserted in the critical assembly, they will be characterized with x-ray computed tomography (XCT) to identify the sizes and distribution of the B 4 C powder particles inside the plates. The preliminary design calculations were performed with SCALE 6.3.0 using the KENO V.a sequence for the criticality calculations, the CE-TSUNAMI-3D sequence for the sensitivity and uncertainty studies, and the ENDF/B-VII.1 Continuous Energy cross section library. All the calculation results presented have 10 pcm statistical uncertainties. A set of critical experiments with Boralcan plates could increase the confidence of the criticality safety community in its modeling methods when using this type of neutron absorber material. Experiments would also help validate k eff calculations, and the industry could use these validations to change the B loading credit limits from the US Nuclear Regulatory Commission standard review plan for dry cask storage of spent nuclear fuel. This paper summarizes only part of the analysis documented in the preliminary design report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Neutron Absorber Plate Characterization Plan for Criticality Experiments Design

After being used in nuclear installations, depleted fuel can still be highly reactive and must be handled securely to prevent any radiological or criticality concerns. In particular, spent fuel from use in nuclear power reactors must be stored and transported in specifically designed containers using neutron absorber materials to prevent criticality. Various neutron absorber material types exist and are manufactured by various entities, as thoroughly described in the Handbook of Neutron Absorber Materials for Spent Nuclear Fuel Storage and Transportation Applications written by EPRI. Presently, one of the most modern and most widely used types of neutron absorber material contains particles of boron carbide, or B 4 C, embedded in aluminum matrix: Boralcan, manufactured by Rio Tinto. It is very important for the community to know as much as possible about such neutron absorber materials. Therefore, in the recent years, a US Department of Energy National Nuclear Security Administration–Nuclear Criticality Safety Program funded project initiated design of an experiment that places Boralcan neutron-absorbing plates in an established critical assembly using low-enriched uranium fuel at the Sandia Pulsed Reactor Facility/Critical Experiments (SPRF/CX) apparatus at Sandia National Laboratories. The goal of the experiment is to produce high-quality benchmark data to submit to the International Criticality Safety Benchmark Evaluation Project (ICSBEP), for use in validating calculational tools and nuclear data by criticality safety analysts. The project, named IER-554, is currently in its final design stage, following a successful preliminary design. In the work documented in the design study, ten critical configurations using Boralcan neutron absorber plates were designed, and the experiment was proven to be feasible, with a predicted low k eff uncertainty around 100 pcm. An overview of the modeled cutout of the critical assembly with a Boralcan plate is shown in Figure 1, representing one of the configurations planned for the critical experiments. Before the plates are inserted in the critical assembly, it is necessary to know more about their composition and uniformity. This summary focuses on the plate characterization plans. Each plate will undergo (1) neutron transmission measurements at different locations to determine the 10 B areal density and (2) an in-depth x-ray computed tomography (XCT) examination to obtain the exact Sizes and distribution of the B4C powder particles inside the plates. In parallel, plate modeling studies are performed with a goal to determine the validity of the currently used approximation of modeling the neutron absorber plates as a homogeneous mixture of Aluminum 1100 alloy and B4C— instead of explicitly modeling the B4C particles. By using the experimental 10 B areal density measurements, and the exact size and location of the B4C particles obtained by XCT, a plate model can theoretically be built that reproduces the plate with extremely high fidelity. The results of this modeling study could increase the confidence of the criticality safety community in its modeling methods when using this type of neutron absorber material, and the industry could use these validations to change the boron loading credit limits from the U.S. Nuclear Regulatory Commission standard review plan for dry cask storage of spent nuclear fuel. The modeling calculations are performed with SCALE 6.3.0 using the KENO V.a sequence for criticality calculations with the ENDF/B-VIII.0 continuous-energy cross section library.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2026

Integrating AI Data Centers with the Power Grid

The rapid expansion of artificial intelligence (AI) has triggered an unprecedented surge in electricity demand, with US data center energy use projected to double or triple 2023 levels by 2028. This exponential growth places strain on grid infrastructure, which can hinder timely construction of desired computing capacity. To bridge this supply-demand gap, utilities and AI developers are increasingly turning to demand flexibility, a strategy that incentivizes shifting or reducing power use during peak periods of grid stress. Data centers are uniquely equipped for flexible operations due to their digital workloads, built-in redundancy, and onsite energy assets. This article outlines four primary mechanisms to enable data center flexibility: computational load flexibility (shifting tasks temporally or geographically), flexible use of core facility infrastructure adjustments, energy storage utilization, and onsite electricity generation. To encourage adoption, utilities are deploying new tariff designs, including voluntary interruptible service riders, mandated flexibility requirements, and streamlined interconnection processes for flexible loads. For the highly capitalized and rapidly growing AI industry, the primary motivators for embracing these strategies are expediting facility interconnection, satisfying emerging regulatory mandates, and mitigating community resistance. While demand flexibility cannot substitute the long-term need for new bulk power generation, it serves as an essential, immediate solution for enabling near-term deployment. By transforming data centers from grid stressors into stabilizing assets, flexible operations can ensure reliable grid integration, ease market pressures, and support a resilient power system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

Impact of biomass burning aerosols on radiation, clouds, and precipitation over the Amazon: relative importance of aerosol–cloud and aerosol–radiation interactions

Biomass burning (BB) aerosols can influence regional and global climate through interactions with radiation, clouds, and precipitation. Here, we investigate the impact of BB aerosols on the energy balance and hydrological cycle over the Amazon Basin during the dry season. We performed simulations with a fully coupled meteorology–chemistry model, the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem), for a range of different BB emission scenarios to explore and characterize nonlinear effects and individual contributions from aerosol–radiation interactions (ARIs) and aerosol–cloud interactions (ACIs). The ARIs of BB aerosols tend to suppress low-level liquid clouds by local warming and increased evaporation and to facilitate the formation of high-level ice clouds by enhancing updrafts and condensation at high altitudes. In contrast, the ACIs of BB aerosol particles tend to enhance the formation and lifetime of low-level liquid clouds by providing more cloud condensation nuclei (CCN) and to suppress the formation of high-level ice clouds by reducing updrafts and condensable water vapor at high altitudes (>8 km). For scenarios representing the lower and upper limits of BB emission estimates for recent years (2002–2016), we obtained total regional BB aerosol radiative forcings of –0.2 and 1.5 W m –2 , respectively, showing that the influence of BB aerosols on the regional energy balance can range from modest cooling to strong warming. We find that ACIs dominate at low BB emission rates and low aerosol optical depth (AOD), leading to an increased cloud liquid water path (LWP) and negative radiative forcing, whereas ARIs dominate at high BB emission rates and high AOD, leading to a reduction of LWP and positive radiative forcing. In all scenarios, BB aerosols led to a decrease in the frequency of occurrence and rate of precipitation, caused primarily by ACI effects at low aerosol loading and by ARI effects at high aerosol loading. The dependence of precipitation reduction on BB aerosol loading is greater in a strong convective regime than under weakly convective conditions. Overall, our results show that ACIs tend to saturate at high aerosol loading, whereas the strength of ARIs continues to increase and plays a more important role in highly polluted episodes and regions. This should hold not only for BB aerosols over the Amazon, but also for other light-absorbing aerosols such as fossil fuel combustion aerosols in industrialized and densely populated areas. The importance of ARIs at high aerosol loading highlights the need for accurately characterizing aerosol optical properties in the investigation of aerosol effects on clouds, precipitation, and climate.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Biocatalytic Carboxylic Acid Reduction and Transamination in Cell‐Free Lysates at High Substrate Loading

Chemoselective reduction of stable carboxylic acids to reactive aldehydes is of interest across many industries. While carboxylic acid reductases (CARs) are promising biocatalysts for this chemistry, poor chemoselectivity and low yield are commonly obtained when using less expensive crude lysate preparations and prerequisite ATP and NADPH regeneration systems. Here, in this work, we developed a highly chemoselective multienzyme cascade featuring a CAR and an ω-transaminase (TA) in crude lysate format, with conversion of the dicarboxylic acid terephthalic acid (TPA) into the diamine para -xylylenediamine (pXDA) as the model chemistry. We improved chemoselectivity for pXDA using engineered aldehyde-stabilizing Escherichia coli strains, though desired product yields remained modest. We next found that CAR activity was limited at high substrate loadings and overcame this bottleneck by modulating the ratio of polyphosphate (polyP 6 ) to Mg 2+ , enabling volumetric scaling and increased substrate loading up to 50 mM TPA. We then showcased the portability of this platform across substrates, resulting in the synthesis of four other high-value amines from carboxylate precursors. The combination of high carboxyl group turnover, up to 93.5 mM under the tested conditions, and the simplicity of crude enzyme preparation is a promising platform for sustainable functional group interconversion.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2020

Empirical Assessment of the Appliance-Level Load Shape and Demand Response Potential in India

Over the next 15 years, electricity demand from the key residential and commercial appliances is projected to be nearly 300 GW or ~65% of India’s total peak demand. The objective of this study is to characterize appliance level demand and temporal variation, and identify the overall DR potential in India. We use Bangalore Electricity Supply Company territory (peak load of 3,505 MW in 2016) as a case study, using actual one-minute resolution load data for 2,979 distribution feeders and a detailed load survey. Our results show that agricultural pumping and space cooling (residential, commercial, and industrial) are the main contributors to the peak demand – with shares of 23-27% and 14-23%, respectively. Both sectors have about 1,000 MW of DR potential – agricultural pumps offering load shifting service while space cooling offering shimmy service that is capable of dynamically adjusting to react to short-run ramps and grid disturbances. Residential electric water heaters contribute nearly 18% of the winter morning peak demand and can also offer about 500 MW in shimmy service. Overall, we find that shifting and shimmy services offer 1,199 MW and 1,511 MW total DR potential, respectively.

demand response↗

DOE OSTI2020

Assessment of Survey Results from Advanced Reactor Industry Domain Experts on Nonlinear Soil-Structure Interaction Analysis Software Verification and Validation

The seismic load case has a significant impact on the design and cost of nuclear power plants. Given the need to substantially reduce cost, advanced reactor designers are looking to leverage numerical tools that enable seismic analysis of an integrated vessel/support/structure/soil system. Modern nonlinear analysis tools provide a solution, capturing dynamic coupling between components (including soil-structure interaction (SSI)) concurrent with nonlinear behavior in one or more parts of the system. Although these methods have a rich history of technical development and implementation, software quality assurance (SQA) following nuclear industry standards remains a significant burden for those wishing to adopt such methods for advanced reactor design and licensing. To reduce the SQA burden, this project will develop the guidance for SQA verification and validation (V&V) of coupled nonlinear SSI analysis tools, to include a test matrix of software features and test problems to support commercial grade dedication (CGD). The guidance is intended to be technology-neutral: supporting designers of all advanced reactors. To maximize the value of the project to reactor designers, the project team performed focused surveys of and interviews with advanced reactor designers. Additionally, the project surveyed members of the broader industry involved in reactor design and licensing. The aggregated industry feedback consists of written survey responses, live polling responses, focused interviews, and informal feedback provided after outreach presentations, collectively referred to as “survey results”. Herein, the survey results are reported, reviewed, and assessed to inform follow-on project activities. The survey results confirmed the familiarity of the industry with the coupled nonlinear SSI analysis. They also affirm the project need based upon the expressed intent to (1) incorporate nonlinear features and (2) pursue the coupled nonlinear SSI analysis to reduce seismic demands and construction costs. All reactor designers indicated their intent to incorporate two or more nonlinear features, and all reactor designer respondents opined that the coupled nonlinear SSI analysis would allow for the optimization of the reactor design and construction. However, the programmatic challenges, whether real or perceived, present a significant barrier to reactor designers. The barrier most commonly identified by the reactor designer population was regulatory risk, with 70% citing this as a reason not to pursue the approach. The perceived regulatory risk identified by the reactor designers underscores the importance of regulator engagement and dialogue in this project. Additionally, half of the reactor designers identified cost and lack of guidance as a deterrent. The survey results also provide insights to tailor specific aspects of the guidance document and test matrix. The project plans to prepare both a formal referenceable guidance document and a collaborative, web-based test matrix and problem set. The project will focus on more complete test problem definitions for the prioritized nonlinear features over shallower problem descriptions for a larger set of features. The nonlinearities prioritized as high based upon survey feedback include fluid-structure interaction and seismic isolation and energy dissipation devices. The nonlinearities prioritized as intermediate include nonlinear geomaterials, nonlinear concrete, nonlinear steel, and interface/contact nonlinearity. Deep embedment and the associated nonlinear phenomena are assigned the lowest priority based upon survey feedback.

42 ENGINEERING↗

DOE OSTI2025

Low-iridium stabilized ruthenium oxide anode catalyst for durable proton-exchange membrane water electrolysis

While mixing iridium (Ir) with ruthenium oxide (RuO 2 ) has proven to be an effective strategy for reducing Ir loading in anode catalysts for proton-exchange membrane (PEM) water electrolysers, achieving industrially relevant long-term stability typically requires an Ir-rich, Ru-lean combination. Here, in this study, by combining density functional theory with Metropolis Monte Carlo methods, we discovered that sufficient stabilization in the RuO 2 lattice could be achieved with less than 50 at.% of Ir, and that Ir in the first subsurface layer plays a critical role. By effectively dispersing Ir dopants within the RuO 2 lattice, we demonstrated an Ir:Ru atomic ratio of only 1:6 that exhibited exceptional stability for over 1,500 h of continuous water electrolysis at 2 A cm −2 . Our Ru 6 IrO x catalyst has the potential to reduce Ir loading by 80% compared with current commercial PEM water electrolysers, and its stability was further validated under industrial testing conditions in a 25-cm 2 PEM electrolyser.

36 MATERIALS SCIENCE↗

DOE OSTI2020

HOSS: an implementation of the combined finite-discrete element method

Nearly thirty years since its inception, the combined finite-discrete element method (FDEM) has made remarkable strides in becoming a mainstream analysis tool within the field of Computational Mechanics. FDEM was developed to effectively “bridge the gap” between two disparate Computational Mechanics approaches known as the finite and discrete element meth-ods. At Los Alamos National Laboratory (LANL) researchers developed the Hybrid Optimization Software Suite (HOSS) as a hybrid multi-physics platform, based on FDEM, for the simulation of solid material behavior complemented with the latest technological enhancements for full fluid–solid interaction. Furthermore, in HOSS, several newly developed FDEM algorithms have been implemented that yield more accurate material deformation formulations, inter-particle interaction solvers, and fracture and fragmentation solutions. Additionally, an explicit computational fluid dynamics solver and a novel fluid–solid interaction algorithms have been fully integrated (as opposed to coupled) into the HOSS’ solid mechanical solver, allowing for the study of an even wider range of problems. Advancements such as this are leading HOSS to become a tool of choice for multi-physics problems. Finally, HOSS has been successfully applied by a myriad of researchers for analysis in rock mechanics, oil and gas industries, engineering application (structural, mechanical and biomedical engineering), mining, blast loading, high velocity impact, as well as seismic and acoustic analysis. This paper intends to summarize the latest development and application efforts for HOSS.

58 GEOSCIENCES↗

DOE OSTI2020

Fission Product Gas Monitoring During Fuel Drying Operations - 20094

The goal of the project was to devise and implement a method of accurately qualifying any noble gas emitted during fuel drying operations (part of the dry fuel storage process) in order to provide the data needed to validate the off-site dose calculations. The imputes of the project was the NRC publishing Information Notice 18-01, 'Noble Fission Gas Releases During Spent Fuel Cask Loading Operations' in February 2018. The information notice describes some industry events that occurred during vacuum drying operations as part of a dry fuel campaign. The solution was devised by Fort Calhoun Station staff in partnership with Mirion Technologies technical staff. The monitoring was accomplished by directing all the effluent from the fuel storage cask vacuum drying machine through a sample chamber containing a compact ISOCS characterized CZT based gamma spectrometer connected to a Mirion Data Analyst. This resulted near real-time quantification of the radionuclides of concern. (authors)

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2026

Progressing Analysis of Variable Electric Rates (PAVER) Study

The Progressing Analysis of Variable Electric Rates (PAVER) study analyzed the impact of a range of time-varying electric rates on the performance of a regional electric grid and the resulting costs for participating and non-participating customers. This analysis leveraged and extended the work of PNNL’s Distribution System Operator with Transactive (DSO+T) study. Five different rate designs were included: a flat volumetric energy charge, a typical Time of Use (TOU) rate, a dynamic energy (DE) rate (based on wholesale locational marginal prices), a dynamic energy and capacity (DE+C) rate, and, finally, a Block and Swing (B&S) rate that billed customers based on their average load profile at constant pricing, but used the DE+C dynamic price for load deviations from their average profile. These rates were analyzed in a large-scale co-simulation of an entire regional grid with a customer population representative of the current state. A large fraction (80%) of residential and commercial customers were assumed to participate in these time-varying rates with automatically controlled HVAC, water heaters, electric vehicles, and batteries. This study assumed no industrial sector participation. The DE and DE+C rates saw system peak loads reduced by 6-7%, while the large participation in the TOU rate case saw a significant rebound effect and a resulting peak load increase of >5%. The impacts to the annual and peak system demand impacted system wholesale prices and the overall grid operating costs. This cost structure determined the revenue needed to be collected from customers by each rate design. Participating customers on the DE and DE+C rates (located in one of the modeled DSOs) saw reductions in average annual electricity bills of 11-17% with average increases in monthly bill variation of no more than 13%. At such high participation levels, TOU customers saw 10% higher average annual bills (due to system-wide rebound effects) and average increased monthly bill variation of 16%. Residential owners of large flexible loads (such as electric vehicles) saw larger bill savings (17-20%) when on a fully dynamic rate. The presence of on-site generation (such as rooftop solar) did not appear to appreciably change customer outcomes. Customers on the Block and Swing rate did see 6% lower monthly bill variation (as intended) than the flat rate case, but at the expense of appreciable bill savings, which were only 3%, comparable to the savings seen by non-participants. Given this finding we recommend that additional research be conducted into how best various bill protection mechanisms can balance minimizing customer bill variation with providing financial incentives commensurate with the flexibility customers provide. We also recommend that customer outcomes be explored across a range of regions using current actual customer and system cost data.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2024

Global net climate effects of anthropogenic reactive nitrogen

Anthropogenic activities have substantially enhanced the loadings of reactive nitrogen (Nr) in the Earth system since pre-industrial times, contributing to widespread eutrophication and air pollution. Increased Nr can also influence global climate through a variety of effects on atmospheric and land processes but the cumulative net climate effect is yet to be unravelled. Here we show that anthropogenic Nr causes a net negative direct radiative forcing of –0.34 [–0.20, –0.50] W m –2 in the year 2019 relative to the year 1850. This net cooling effect is the result of increased aerosol loading, reduced methane lifetime and increased terrestrial carbon sequestration associated with increases in anthropogenic Nr, which are not offset by the warming effects of enhanced atmospheric nitrous oxide and ozone. Future predictions using three representative scenarios show that this cooling effect may be weakened primarily as a result of reduced aerosol loading and increased lifetime of methane, whereas in particular N 2 O-induced warming will probably continue to increase under all scenarios. Our results indicate that future reductions in anthropogenic Nr to achieve environmental protection goals need to be accompanied by enhanced efforts to reduce anthropogenic greenhouse gas emissions to achieve climate change mitigation in line with the Paris Agreement.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

High‐Loading Lithium‐Sulfur Batteries with Solvent‐Free Dry‐Electrode Processing

Abstract Lithium‐sulfur (Li‐S) batteries, with their high energy density, nontoxicity, and the natural abundance of sulfur, hold immense potential as the next‐generation energy storage technology. To maximize the actual energy density of the Li‐S batteries for practical applications, it is crucial to escalate the areal capacity of the sulfur cathode by fabricating an electrode with high sulfur loading. Herein, ultra‐high sulfur loading (up to 12 mg cm −2 ) cathodes are fabricated through an industrially viable and sustainable solvent‐free dry‐processing method that utilizes a polytetrafluoroethylene binder fibrillation. Due to its low porosity cathode architecture formed by the binder fibrillation process, the dry‐processed electrodes exhibit a relatively lower initial capacity compared to the slurry‐processed electrode. However, its mechanical stability is well maintained throughout the cycling without the formation of electrode cracking, demonstrating significantly superior cycling stability. Additionally, through the optimization of the dry‐processing, a single‐layer pouch cell with a loading of 9 mg cm −2 and a novel multi‐layer pouch cell that uses an aluminum mesh as its current collector with a total loading of 14 mg cm −2 are introduced. To address the reduced initial capacity of dry‐processed electrodes, strategies such as incorporating electrocatalysts or employing prelithiated active materials are suggested.

Chemistry↗

DOE OSTI2020

Enabling 6C Fast Charging of Li–Ion Batteries with Graphite/Hard Carbon Hybrid Anodes

Li-ion batteries that can simultaneously achieve high-energy density and fast charging are essential for electric vehicles. Graphite anodes enable a high-energy density, but suffer from an inhomogeneous reaction current and irreversible Li plating during fast charging. In contrast, hard carbon exhibits superior rate performance but lower energy density owing to its lower initial coulombic efficiency and higher average voltage. In this work, these tradeoffs are overcome by fabricating hybrid anodes with uniform mixtures of graphite and hard carbon, using industrially-relevant multi-layer pouch cells (>1 Ah) and electrode loadings (3 mAh cm –2 ). By controlling the graphite/hard carbon ratio, this study shows that battery performance can be systematically tuned to achieve both high-energy density and efficient fast charging. Pouch cells with optimized hybrid anodes retain 87% and 82% of their initial specific energy after 500 cycles of 4C and 6C fast-charge cycling, respectively. This is significantly higher than the 61% and 48% specific energy retention with graphite anodes under the same conditions. The enhanced performance is attributed to improved homogeneity of the reaction current throughout the hybrid anode, which is supported by continuum-scale modeling. Furthermore, this process is directly compatible with existing roll-to-roll battery manufacturing, representing a scalable pathway to fast charging.

25 ENERGY STORAGE↗

DOE OSTI2024

Prioritization of Early-Stage Research and Development of a Hydrogel-Encapsulated Anaerobic Technology for Distributed Treatment of High Strength Organic Wastewater

This study aims to support the prioritization of research and development (R&D) pathways of an anaerobic technology leveraging hydrogel-encapsulated biomass to treat high-strength organic industrial wastewaters, enabling decentralized energy recovery and treatment to reduce organic loading on centralized treatment facilities. To characterize the sustainability implications of early-stage design decisions and to delineate R&D targets, an encapsulated anaerobic process model was developed and coupled with design algorithms for integrated process simulation, techno-economic analysis, and life cycle assessment under uncertainty. Across the design space, a single-stage configuration with passive biogas collection was found to have the greatest potential for financial viability and the lowest life cycle carbon emission. Through robust uncertainty and sensitivity analyses, we found technology performance was driven by a handful of design and technological factors despite uncertainty surrounding many others. Hydraulic retention time and encapsulant volume were identified as the most impactful design decisions for the levelized cost and carbon intensity of chemical oxygen demand (COD) removal. Encapsulant longevity, a technological parameter, was the dominant driver of system sustainability and thus a clear R&D priority. Ultimately, we found encapsulated anaerobic systems with optimized fluidized bed design have significant potential to provide affordable, carbon-negative, and distributed COD removal from high strength organic wastewaters if encapsulant longevity can be maintained at 5 years or above.

Anaerobic Treatment↗