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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Use of Stable Mercury Isotopes to Assess Mercury and Methylmercury Transformation and Transport across Critical Interfaces from the Molecular to the Watershed Scale (Final Report)

This project titled “Use of Stable Mercury Isotopes to Assess Mercury and Methylmercury Transformation and Transport across Critical Interfaces from the Molecular to the Watershed Scale” represents a collaborative effort between the University of Michigan (Jason Demers, PI) and Oak Ridge National Laboratory (Scott Brooks, co-I). Much has been learned about mercury (Hg) cycling in stream ecosystems, and East Fork Poplar Creek (EFPC) in particular, through decades of previous research. Nevertheless, some of the most fundamental questions regarding the sources of bioavailable Hg and its transformation to toxic methylmercury (MeHg) have remained unanswered. These fundamental questions include: (1) what are the sources and biogeochemical processes that lead to the input of dissolved Hg to stream water across critical subsurface interfaces within stream ecosystems, and EFPC in particular? and (2) what are the sources and biogeochemical processes that control the production and fate of bioaccumulative MeHg within stream ecosystems, and in EFPC in particular? To address these fundamental questions, our project aimed to couple laboratory experiments and field observations, both utilizing natural abundance Hg stable isotope techniques, to identify the processes responsible for generating mobile, bioavailable dissolved Hg from recalcitrant legacy sources within critical subsurface zones (e.g., streambed hyporheic zone, riparian floodplain subsurface). We used the isotopic signature of this bioavailable dissolved Hg to track its mobilization across these critical interfaces in order to link diffuse subsurface sources of dissolved Hg with increases in surface water dissolved Hg flux measured at the watershed scale. Additionally, our research aimed to determine the isotopic composition of MeHg within these same critical subsurface zones. We directly assessed the isotopic composition of MeHg within biota in order to gain insight into which subsurface sources of inorganic Hg and toxic MeHg are available for bioaccumulation within the EFPC ecosystem. Net fluxes of dissolved Hg along the flow path of EFPC were shown to vary spatially and temporally. In the Upper EFPC, within the Y12 boundary, stream water flux of dissolved Hg consistently decreased between the outfall and the downstream boundary of Y12 (57% ± 29%, 1SD). Within the Upper EFPC, an assessment of Hg isotopic composition suggested that losses were strongly reaction-driven, although isotopic diagnostics did not conform to any known processes. Downstream of Y12, in the upper reach of the Lower EFPC, dissolved Hg fluxes tended to increase during the dormant season (net gain of 11-120%), and decrease during the growing season (net loss of 23% +/- 18%, 1SD). In the downstream-most reach of Lower EFPC, dissolved Hg fluxes increased by 12-108% in 9 out of 10 monthly assessments. Overall, diffuse fluxes from the non-Y12 watershed accounted for 34% (+/- 17%, 1SD) of all dissolved Hg exported during base flow. Within Lower EFPC, an assessment of Hg isotopic composition was consistent with the contribution of diffuse Hg inputs from high-concentration hotspots within riparian floodplains and streambed hyporheic pore water. To investigate remobilization of recalcitrant Hg from legacy sediment sources, we developed procedures that coupled isotopic analysis with sequential extractions of streambed sediment. We found that the proportion of weakly-bound Hg within EFPC streambed sediment was relatively small, but could still account for a large proportion of the annual flux of dissolved Hg from EFPC. These sequential extractions also showed that this weakly-bound Hg fraction could be replenished from the much larger fraction of recalcitrant Hg in sediment. The isotopic composition of these weakly-bound and remobilized recalcitrant Hg fractions within the sediment was consistent with high-concentration dissolved Hg hotspots within hyporheic pore water. Thus, this research provided novel evidence that legacy mercury sources within streambed sediment could provide an ongoing contribution of dissolved Hg to surface waters. Finally, we developed new methods for the direct determination of the MeHg isotopic composition of organisms, which allowed a more direct evaluation of inorganic Hg and MeHg sources accumulating in the food web. We found that fish and aquatic invertebrates in both EFPC and a regional background site obtained inorganic Hg and MeHg from multiple isotopically distinct sources, including sediment, suspended particulates, and periphyton. Photodemethylation was found to be an important reaction influencing MeHg dynamics at both sites. However, the balance of microbial methylation and demethylation processes differed between the two streams, with fractionation resulting from methylation and demethylation processes being relatively in balance within the regional background site, whereas microbial methylation appeared to be dominant over microbial demethylation within the EFPC ecosystem. Broadly, the application of Hg isotopic analysis in this study led to numerous novel insights regarding the biogeochemical cycling of Hg in stream ecosystems. This research project promoted the development of two new approaches, including the coupling of sequential extractions with Hg isotopic analysis to assess remobilization of recalcitrant Hg within sediments, and a new method for the isotopic analysis of MeHg isolated from environmental samples. Both of these efforts represent advances in capacity for the field of mercury isotopic analysis and environmental assessment. Overall, this study demonstrates that the application of Hg stable isotope techniques continues to provide new insights into the biogeochemical cycling of Hg in complex aquatic environments, both within the EFPC and beyond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Fast Evaluation of Aircraft Icing Severity Using Machine Learning Based on XGBoost

Aircraft icing represents a serious hazard in aviation which has caused a number of fatal accidents over the years. In addition, it can lead to substantial increase in drag and weight, thus reducing the aerodynamics performance of the airplane. The process of ice accretion on a solid surface is a complex interaction of aerodynamic and environmental variables. The complex relationship makes machine learning-based methods an attractive alternative to traditional numerical simulation-based approaches. In this study, we introduce a purely data-driven approach to find the complex pattern between different flight conditions and aircraft icing severity prediction. The supervised learning algorithm Extreme Gradient Boosting (XGBoost) is applied to establish the prediction framework which makes prediction based on any set of observations. The input flight conditions for the proposed prediction framework are liquid water content, droplet diameter and exposure time. The proposed approach is demonstrated in three cases: maximum ice thickness prediction, icing area prediction and icing severity level evaluation. Performance comparison studies and error analysis are also conducted to verify the effectiveness and performance of the proposed method. Results show that the proposed method has reasonable capability in evaluating aircraft icing severity.

Li, Sibo (ORCID:000000021705844X)↗
DOE OSTI2020

KELT-11 b: Abundances of Water and Constraints on Carbon-bearing Molecules from the Hubble Transmission Spectrum

In the past decade, the analysis of exoplanet atmospheric spectra has revealed the presence of water vapor in almost all the planets observed, with the exception of a fraction of overcast planets. Indeed, water vapor presents a large absorption signature in the wavelength coverage of the Hubble Space Telescope’s (HST) Wide Field Camera 3 (WFC3), which is the main space-based observatory for atmospheric studies of exoplanets, making its detection very robust. However, while carbon-bearing species such as methane, carbon monoxide, and carbon dioxide are also predicted from current chemical models, their direct detection and abundance characterization has remained a challenge. Here we analyze the transmission spectrum of the puffy, clear hot-Jupiter KELT-11 b from the HST WFC3 camera. We find that the spectrum is consistent with the presence of water vapor and an additional absorption at longer wavelengths than 1.5 μm, which could well be explained by a mix of carbon bearing molecules. CO{sub 2}, when included is systematically detected. One of the main difficulties to constrain the abundance of those molecules is their weak signatures across the HST WFC3 wavelength coverage, particularly when compared to those of water. Through a comprehensive retrieval analysis, we attempt to explain the main degeneracies present in this data set and explore some of the recurrent challenges that are occurring in retrieval studies (e.g., the impact of model selection, the use of free versus self-consistent chemistry, and the combination of instrument observations). Our results make this planet an exceptional example of a chemical laboratory to test current physical and chemical models of the atmospheres of hot Jupiters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Theoretical model of dielectrophoretic water vapor condensation during multiphase flow of electrically charged water droplets in air

Water droplet growth in air, influenced by vapor diffusion and electrical charging, has significant implications for indoor air quality, cloud formation, and aerosol dynamics. Here, this study presents a comprehensive theoretical model that describes the growth dynamics of electrically charged water droplets under external electric fields, incorporating diffusion, electrostatic, and dielectrophoretic forces to enhance understanding and practical applications in air dehumidification and environmental control. A theoretical model was established to analyze the growth dynamics of the charged water droplets. The approach extended the thermodynamic framework of the Modified Kelvin-Thomson equation by integrating electrostatic and dielectrophoretic effects, enabling a comprehensive evaluation of vapor concentration near the surface of charged droplets. A sensitivity analysis was performed to assess the roles of droplet size, electric field intensity, surface charge, and vapor concentration on condensation rates. The study progressed beyond the classical diffusion-limited growth of neutral droplets, addressing the behavior of charged droplets in electrohydrodynamic environments. The model highlighted the significance of dielectrophoretic drift flux for dipolar vapor molecules, especially in micron-sized droplets ranging from 10 to 100 µm. Findings demonstrated that, for smaller droplets subjected to elevated electrical charge, average growth rates varied from 0.3 to 1.6 µm/s if the air relative humidity increased from 50 to 100 %. Analytical results are corroborated by numerical simulations, which exhibited strong concordance, thereby validating the proposed theoretical approach. This research introduced an innovative and scalable analytical methodology for electric field-enhanced droplet growth, offering valuable insights into the advancement of energy-efficient air dehumidification, water desalination, and atmospheric water harvesting technologies.

42 ENGINEERING↗
DOE OSTI2023

Integrating fine root diameter and watershed mapping to characterize rhizosphere hydrology

Root morphology and soil hydraulic characteristics were integrated using watershed distance mapping to show water distribution and uptake across the plant-soil interface. Poplar (Populus deltoides, P. trichocarpa), maize (Zea mays), juniper (Juniperus virginiana), grape (Vitis rotundifolia) and maple (Acer saccharum) seedlings were grown in sand, after which root diameter and soil water dynamics were assessed via sequential neutron radiography. Three local soil regions (root-soil interface or edge, rhizosphere, bulk soil) were classified based on both radial distance from the root surface and diameter of the nearest root, from which changes in water content and distribution were characterized using digital image processing. Water content dynamics across the rhizosphere showed two different species-independent processes: a consistently elevated water content at the root-soil edge interface which increased with root diameter, and hysteresis as the rhizosphere transitioned to bulk soil (~0.5 cm from the root), independent of root diameter. Water uptake per unit root surface area declined exponentially with root diameter, independent of species. Results highlight the species-independent hydrologic characteristics of the rhizosphere and the potential for evaluating them in a local spatially connected soil context. Avenues for improved integration of soil and root characteristics are discussed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Factors Influencing Grid-connected Heat Pump Water Heater Performance in the Southeast U.S.

Grid-connected heat pump water heaters (HPWH) can shift electrical load while minimizing impacts to hot water availability for occupants. This capability provides a flexible grid resource to utilities seeking to manage peak loads Such load control also can feasibly improve renewable utilization within the utility electric production mix, for instance using off-peak generation during periods with high renewable energy generation. It also offers lower electric bills to customers through increased energy efficiency of HPWH and cuts greenhouse gas emissions. In particular, the Southeast U.S. due to its high penetration of electric water heating presents a promising opportunity for grid-connected HPWHs. This paper builds upon the results of an extensive HPWH load shifting field study conducted in 51 occupied homes in Florida using EcoPort technology (Butzbaugh et al, 2022). In 2022, only an initial evaluation was available. Here, long term load results are available as well as examination of various control strategies and influences. Analysis is conducted for HPWH energy use and load shifting performance based on home occupancy (i.e., low and high) and water heater location (i.e., conditioned and unconditioned) across different temperature profiles. An unexpected outcome of this analysis was the poor performance of HPWHs located in conditioned spaces, possibly because of inadequate air volume from improper installation. We did find higher demand reductions from 2-hour load ups and slightly improved for critical peak signals in the afternoon control periods. As expected, higher occupancy households showed great load reductions.

Fenaughty, Karen↗
DOE OSTI2022

Electroprecipitation Mechanism Enabling Silica and Hardness Removal through Aluminum-Based Electrocoagulation

We evaluate the effectiveness of an aluminum-based electrocoagulation pretreatment system to remove dissolved silica and hardness. Silica and hardness limit water recovery during membrane-based desalination applications when silica and hardness exceed the solubility limit and generate scale on the membrane surface. We show that simultaneous removal of nearly all silica (95 ± 4%) and a significant amount of hardness (40–60%) occurs with a hydraulic residence time of 2 h and a charge loading between 0 and 1200 C/L. Increasing the residence time maximized the hardness removal (58 ± 8%) via the formation of larger flocs, which allowed for more constituent removal by gravity settling. We highlight the trade-offs between improved energy efficiency at lower charge loadings and an improved removal rate at a higher charge loading. We further compare the percentage of silica and hardness removed in multicomponent solutions and compare this to single component feed solution. We discuss the implications that operational considerations have in terms of cost and treatment capacity. Finally, a cost–benefit analysis comparing chemical coagulation with electrocoagulation indicates that electrocoagulation could be half the cost of chemical coagulation and could produce more stable effluent pH and conductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Pathway Analysis Framework for Evaluating the Economic and Environmental Viability of Biomass-Based Plastic Production

Plastic production from fossil feedstocks (e.g., naphtha, coal, and natural gas) is not sustainable and causes known environmental impacts such as global warming. A possible solution is to shift production pathways to use biomass, which is a sustainable feedstock that can sequester atmospheric carbon dioxide. This study presents an optimization-based pathway analysis framework for evaluating the carbon footprints of the production of mainstream plastics from biomass and fossil feedstocks. We use the modeling framework to quickly navigate complex interdependencies that exist between the production pathways of different plastics and to determine pathways of minimum production cost under a range of carbon pricing scenarios. The framework interprets carbon prices as an exogenous taxation scheme or an endogenous negative value perceived by producers. The proposed approach reveals the biomass feedstock quantities needed to displace fossil counterparts and the plastics and technologies that should be prioritized. The framework can also be used for evaluating system-wide trade-offs between production costs and carbon footprints that arise from pathway interdependencies. We also evaluate hidden environmental impacts associated with the large-scale use of biomass as a feedstock, such as land use and water eutrophication that results from a significant increase in fertilizer use. Therefore, it is important to highlight that there are trade-offs between decarbonization and other environmental issues. Here, the proposed framework provides an integrative platform for basic techno-economic and life-cycle data that can be used for analyzing diverse scenarios and determining necessary technology targets (e.g., yields, footprints, and costs) to achieve required levels of decarbonization.

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

Mesoscale Convective Systems in a Superparameterized E3SM Simulation at High Resolution

Accurately representing mesoscale convective systems (MCSs) is crucial to simulating the energy and water cycles in global climate models. Using a novel MCS identification and tracking algorithm applied to observations and model simulations, we evaluate how well the Energy Exascale Earth System Model simulates MCSs over the central US. Simulations performed by E3SM at 25 km grid spacing with (SP-E3SM) and without (E3SM) superparameterization are compared and evaluated against observations using multiple metrics highlighting important MCS characteristics. Compared to E3SM, SP-E3SM better simulates MCS number and MCS precipitation amount, diurnal cycle, propagation, and the probability distribution of precipitation rate in both spring and summer. The improvement from SP is partly contributed by improvement in simulating the large-scale environments, featuring enhanced atmospheric low-level moisture and larger moisture transport to the central US relative to E3SM. However, SP-E3SM still underestimates MCS precipitation amount, particularly in summer. This underestimation is closely related to the negative bias in MCS precipitation intensity, although the drier environments simulated during summer also contributes to underestimation of MCS frequency. Without SP, the larger bias in MCS precipitation amount is closely related to the negative bias in MCS frequency, while the substantial dry bias in the large-scale environments also contributes to underestimation of MCS intensity. Our results suggest that SP improves MCS simulation by improving modeling of the large-scale environments and convection initiation, which are both major limiting factors in E3SM even at 25 km grid spacing where deep convection is represented by a cumulus parameterization.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

The Influence of Air‐Sea CO 2 Disequilibrium on Carbon Sequestration by the Ocean's Biological Pump

Abstract The ocean's biological carbon pump (BCP) affects the Earth's climate by sequestering CO 2 away from the atmosphere for decades to millennia. One primary control on the amount of carbon sequestered by the biological pump is air‐sea CO 2 disequilibrium, which is controlled by the rate of air‐sea CO 2 exchange and the residence time of CO 2 in surface waters. Here, we use a data‐assimilated model of the soft tissue BCP to quantify carbon sequestration inventories and time scales from remineralization in the water column to equilibration with the atmosphere. We find that air‐sea CO 2 disequilibrium enhances the global biogenic carbon inventory by ∼35% and its sequestration time by ∼70 years compared to identical calculations made assuming instantaneous air‐sea CO 2 exchange. Locally, the greatest enhancement occurs in the subpolar Southern Ocean, where air‐sea disequilibrium increases sequestration times by up to 600 years and the biogenic dissolved inorganic carbon inventory by >100% in the upper ocean. Contrastingly, in deep‐water formation regions of the North Atlantic and Antarctic margins, where biological production creates undersaturated surface waters which are subducted before fully equilibrating with the atmosphere, air‐sea CO 2 disequilibrium decreases the depth‐integrated sequestration inventory by up to ∼150%. The global enhancement of carbon sequestration by air‐sea disequilibrium is particularly important for carbon respired in deep waters that upwell in the Southern Ocean. These results highlight the importance of accounting for air‐sea CO 2 disequilibrium when evaluating carbon sequestration by the biological pump and for assessing the efficacy of ocean‐based CO 2 removal methods.

Environmental Sciences & Ecology↗
DOE OSTI2025

The Role of Wind‐Moisture Characteristics in Shaping Atmospheric River Flood Hazards

Atmospheric rivers (ARs) are key drivers of extreme precipitation in the Western U.S. Using regionally downscaled thermodynamic global warming (TGW) simulations, we examine how ARs with varying wind and moisture characteristics respond to warming. We classified 812 historical AR events into Gusty-Wet, Gusty-Dry, Calm-Wet, and Calm-Dry groups to evaluate differences in precipitation behavior. ARs with stronger winds and higher moisture content exhibit higher precipitation efficiency (PE) and greater integrated water vapor (IWV). Regionally, Calm ARs show higher IWV accumulation due to slower inland transport and reduced PE. Projections indicate increases in storm-total (sub-Clausius-Clapeyron (CC) scaling) and maximum 3-hourly precipitation (super-CC scaling) across all groups, with the most pronounced changes in Gusty-Wet and Calm-Wet ARs. Spatial differences in surface runoff, PE, and inland reach highlight the importance of AR subtype in shaping future flood hazards. These results offer insights into event-level and regional-scale precipitation changes under evolving environmental conditions.

Zhou, Yang [Lawrence Berkeley National Laboratory ↗
DOE OSTI2022

Enhancing high-fidelity nonlinear solver with reduced order model

Abstract We propose the use of reduced order modeling (ROM) to reduce the computational cost and improve the convergence rate of nonlinear solvers of full order models (FOM) for solving partial differential equations. In this study, a novel ROM-assisted approach is developed to improve the computational efficiency of FOM nonlinear solvers by using ROM’s prediction as an initial guess. We hypothesize that the nonlinear solver will take fewer steps to the converged solutions with an initial guess that is closer to the real solutions. To evaluate our approach, four physical problems with varying degrees of nonlinearity in flow and mechanics have been tested: Richards’ equation of water flow in heterogeneous porous media, a contact problem in a hyperelastic material, two-phase flow in layered porous media, and fracture propagation in a homogeneous material. Overall, our approach maintains the FOM’s accuracy while speeding up nonlinear solver by 18–73% (through suitable ROM-assisted FOMs). More importantly, the proximity of ROM’s prediction to the solution space leads to the improved convergence of FOMs that would have otherwise diverged with default initial guesses. We demonstrate that the ROM’s accuracy can impact the computational efficiency with more accurate ROM solutions, resulting in a better cost reduction. We also illustrate that this approach could be used in many FOM discretizations (e.g., finite volume, finite element, or a combination of those). Since our ROMs are data-driven and non-intrusive, the proposed procedure can easily lend itself to any nonlinear physics-based problem.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A new quinoline-based cobalt( II ) catalyst capable of bifunctional water splitting

We report on a new water-soluble cobalt( II ) complex capable of water splitting bifunctionality, i.e., water reduction and water oxidation. The species [Co II (L Qpy )H 2 O]ClO 4 (1), where L Qpy is the deprotonated form of the new tripodal ligand N 1 ,N 1 -bis(pyridin-2-ylmethyl)-N 2 -(quinolin-8-yl)benzene-1,2-diamine, HL Qpy , was developed aiming to replace an oxidation prone methylene group by a sturdy and redox stable quinoline. The molecular and electronic structures of 1 were evaluated by multiple spectroscopic, spectrometric, electrochemical and computational methods, and detailed pre- and post-catalytic studies were conducted to ascertain the molecular nature of the conversions. Complex 1 performs water reduction at a low onset overpotential (η) of 0.65 V at pH 7, reaching TON 3h 2900 (TOF 970 h −1 ) and TON 18h 12 100 (TOF 672 h −1 ) with up to 98% faradaic efficiency (FE). Species 1 also promotes water oxidation at η = 0.34 V under pH 8, achieving TON 3h 193 (TOF 64 h −1 ) at 84% FE. Experimental and DFT results enabled us to propose reaction intermediates and mechanisms.

Lucecki, Carlos A. [Wayne State University, Detroi↗
DOE OSTI2021

Effects of Al:Si and (Al+Na):Si ratios on the static corrosion of sodium‐boroaluminosilicate glasses

Abstract Understanding alteration mechanisms of borosilicate glasses in aqueous media is essential to nuclear waste performance assessments to ensure radioisotopes are contained for extended durations. Aluminum is typically added to glass compositions to reduce the extent of alteration. However, previous work on 7‐day durability tests has suggested that Al has a nonlinear relationship with extent of alteration. The effects of Al:Si and (Al+Na):Si substitutions on glass durability were evaluated using series of glasses based on the International Simple Glass corroded in static conditions up to 13 months in deionized water at 90°C. The alteration behavior was determined by measurement of element release in solution. The ⁓7‐day alteration trends across the series were consistent with predicted trends. The 13‐month results indicated overall alteration decreased as Al:Si ratios increased and was unaffected by changes in (Al+Na):Si except for the glass with the highest (Al+Na):Si ratio (ISG‐A23N), which completely altered within 14 days. Frequent sampling and in situ Raman measurements of solutions revealed ISG‐A23N experienced several distinguishable alteration rate regimes within 7 days, forming a ⁓100 µm alteration layer and a NaSiAlO 4 zeolite.

Reiser, Joelle T.↗
DOE OSTI2025

Assessing the Role of Hydrodynamics in Enhancing Height-Above-the-Nearest-Drainage Derived Synthetic Rating Curves: A Comparative Study in the Wu River Basin, Taiwan

The conventional approach to generating synthetic rating curves (SRC) using the Height-Above-the-Nearest-Drainage (HAND) method typically relies on the assumption of uniform flow, such as Manning's equation, to establish stage-discharge ratings. The zero-physics application of the uniform flow equation is insufficient for capturing detailed hydraulic features (e.g., backwater effect) and neglects the hydraulic effects from adjacent channels. This lack of hydrodynamic computation can impact the accuracy and effectiveness of riverine flood risk estimation and management. To reduce this foreseeable error, we introduce the HAND-hd workflow, which integrates sophisticated hydrodynamic computations in the production of HAND-based SRC with hydrodynamic features (SRC hd ). The results indicate that SRC hd demonstrates consistent agreement with both gauge observations and benchmark solutions. Additionally, the comparative analysis suggests that SRC hd provides notable improvements in stage-discharge ratings over conventional HAND-based SRCs, particularly in channels with mild bed gradients, where it reduces water stage prediction errors and percent biases. In steeper channel segments, SRC hd maintains comparable accuracy to conventional methods. The comprehensive evaluation in this study emphasizes the potential discrepancies and inaccuracies associated with the adoption of the uniform flow assumption in the conventional HAND-SRCs and addresses the necessity of including hydrodynamic physics in the application of HAND-based SRC (e.g., inundation map) in channels with mild gradients.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Engineered Solutions Group's SMR Containment Cable and Electrical Penetration Assembly System

GAIN Project CRADA Number NFE-21-08839, entitled “SMR Containment Cable and EPA System” was initiated by the partnership of Oak Ridge National Laboratory (ORNL) and Engineered Solutions Group (ESG) to test an ESG-designed Electrical Penetration Assembly and Containment Cabling System Qualified for not only legacy LWR designs, but also Small Modular Reactors designs currently being designed by several different suppliers. This project was undertaken to fill the equipment gap of EPA and Cabling Systems that require much more severe environmental requirements than legacy plant applications present due to their smaller containment volumes that result in high energy densities compared to legacy designs. This high energy density results in severe accident environments and more severe normal operating conditions as well. We developed two approaches to qualify Electrical Penetration Assembly (EPA) and Containment Cabling Systems for SMRs and Advanced Reactors. We take into consideration the more severe environmental parameters found with SMR designs. The system will need to meet a qualification test program addressing wear/cyclic aging, potential radiation exposure, thermal aging, vibration aging, thermal cycling, seismic qualification, electrical fault testing (per IEEE 317) and accident simulation. The equipment must meet the requirements of 10CFR50.49, GDC 50 in 10CFR50 Appendix A, and 10CFR50 Appendix J. NRC Regulatory Guides (RGs) identify an acceptable way of meeting regulatory requirements. RGs frequently endorse a standard for meeting these requirements. Specific to this review, equipment would be qualified in accordance with the following IEEE Standards. • IEEE 317-2013 (Electrical Penetration Assemblies), which is endorsed by RG 1.63, Rev. 3, • IEEE 323-2003 and the more current IEC/IEEE 60780-323 (Environmental Qualification of 1E Equipment) which is endorsed by RG 1.89. IEEE 323-2003 is endorsed by RG 1.209, • IEEE 344-2020 (Seismic Qualification. The 2013 version endorsed by RG 1.100, Rev. 4, with exceptions), • IEEE 383-2015 (Electrical Cables) (which is endorsed by RG 1.189 Rev. 4 and the -2003 version endorsed by RG 1.211 rev. 0), • IEEE 572-2019 (Electrical Connectors and Assemblies), which is endorsed by 1.156 Rev 1, and • [IEEE 1202 (endorsed by RG 1.189) would normally be applicable but the advanced cable designs are impervious to this cable flame test.] The primary goal of such a program is to provide an EPA design that can meet the qualification requirements for all legacy light water reactor plants currently operating as well as new plant designs including light water Small Modular Reactors. Thus, these requirements are applicable to plants licensed under 10CFR50 and 10CFR52. Other reactor designs may be evaluated, and this test system and qualification method applied to those applications if the requirements would satisfy the requirements of the intended plant. A secondary benefit of this work is to document some of the history and background in these requirements as there have been recent delays in an SMR licensing process due to NRC Requests for Additional Information in this subject matter area.

42 ENGINEERING↗
DOE OSTI2020

Simulator for Hydrologic Unstructured Domains (SHUD v1.0): numerical modeling of watershed hydrology with the finite volume method

Abstract. Hydrologic modeling is an essential strategy for understanding and predicting natural flows, particularly where observations are lacking in either space or time or where complex terrain leads to a disconnect in the characteristic time and space scales of overland and groundwater flow. However, significant difficulties remain for the development of efficient and extensible modeling systems that operate robustly across complex regions. This paper introduces the Simulator for Hydrologic Unstructured Domains (SHUD), an integrated, multiprocess, multiscale, flexible-time-step model, in which hydrologic processes are fully coupled using the finite volume method. SHUD integrates overland flow, snow accumulation/melt, evapotranspiration, subsurface flow, groundwater flow, and river routing, thus allowing physical processes in general watersheds to be realistically captured. SHUD incorporates one-dimensional unsaturated flow, two-dimensional groundwater flow, and a fully connected river channel network with hillslopes supporting overland flow and baseflow. The paper introduces the design of SHUD, from the conceptual and mathematical description of hydrologic processes in a watershed to the model's computational structures. To demonstrate and validate the model performance, we employ three hydrologic experiments: the V-catchment experiment, Vauclin's experiment, and a model study of the Cache Creek Watershed in northern California. Ongoing applications of the SHUD model include hydrologic analyses of hillslope to regional scales (1 m2 to 106 km2), water resource and stormwater management, and interdisciplinary research for questions in limnology, agriculture, geochemistry, geomorphology, water quality, ecology, climate and land-use change. The strength of SHUD is its flexibility as a scientific and resource evaluation tool where modeling and simulation are required.

58 GEOSCIENCES↗
DOE OSTI2025

COMPUTATION FLUID DYNAMICS ANALYSIS FOR GENERIC SMALL MODULAR REACTOR CONTAINMENT SEPARATE EFFECTS TEST

It is desirable for fourth-generation Small Modular Reactors to be passively cooled in standard and accident operations. Passive Containment Cooling Systems can reject heat from the containment structure, without using pumps or blowers. The targeted design containment structure is a large, domed, stainless steel, cylindrical vessel. In a postulated Design Basis Accident, steam will flash inside containment. Steam condensation occurs on the inner containment wall and transfers heat through the steel containment into a large body of water known as the annular reservoir (AR) surrounding the vessel serving as the ultimate heat sink. Natural circulation drives the flow in the AR and heat will be released to the environment by evaporation of water. Unique containment geometry requires a separate effects test (SET) facility for the verification and validation of the computer code and evaluation model development and assessment for reactor licensing efforts. In this study, STAR-CCM+, a computational fluid dynamics (CFD) code was used to inform the decision-making process on the design of the SET. The CFD simulation modeled, a two-phase turbulent flow with fluid film development and heat transfer for different containment geometries. The Reactor Excursion and Leak Analysis Program will also be used in a code-to-code verification against the CFD results.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗