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At least 307 records · Page 17

Preconceptual Design of Irradiated Fuel Salt Management System

The National Reactor Innovation Center was established by the U.S. Department of Energy to accelerate the demonstration and deployment of advanced nuclear reactors. To meet this mission, the National Reactor Innovation Center has developed the Laboratory for Operations and Testing in the U.S. (LOTUS) to support the first fast-spectrum molten salt reactor demonstration. The goal of this research is to understand the system requirements that may be applied to a molten salt reactor experiment in the LOTUS test bed and to perform systems analyses and preconceptual development of a storage container for the management of the irradiated molten salt fuel. This study proposes a set of irradiated fuel salt management processes for the molten salt reactor, from defueling to storage or disposal. For that, the historic Molten Salt Reactor Experiment (MSRE) at Oak Ridge National Laboratory has served as a crucial source of data for a mock application. This paper proposes a potential geometry for storing irradiated fuel salt based on MSRE data and the Monte Carlo N-Particle radiation transport code. The geometry was analyzed for criticality safety under abnormal situations, such as water ingress and interaction between containers. Based on the determined configuration of the storage system, the decay heat produced from the irradiated fuel salts was calculated to provide a reasonable time scale of the dormancy period. Using the same geometry assumed above, the neutron and gamma dose rates from the irradiated fuel salt at the end of the dormancy period were estimated, which will be useful for understanding the handling and radiation protection requirements for handling the irradiated fuel salt. Lastly, a reactor in the LOTUS test bed could use chloride-based fuel as opposed to the fluoride-based fuel used in MSRE. Thus, a literature study provided data to understand the similarities and differences between the characteristics of fluoride- and chloride-based salts in terms of salt chemistry, material characteristics, postirradiation behavior, neutronics, thermal hydraulics, and heat removal. This study, together with the proposed irradiated fuel salt management processes, preliminary criticality calculations, decay heat, and dose rate estimates, provides a strong basis for future investigation into the management of irradiated fuel salts generated during molten salt reactor technology demonstrations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Climate model projections from the Scenario Model Intercomparison Project (ScenarioMIP) of CMIP6

Abstract. The Scenario Model Intercomparison Project (ScenarioMIP) defines and coordinates the main set of future climate projections, based on concentration-driven simulations, within the Coupled Model Intercomparison Project phase 6 (CMIP6). This paper presents a range of its outcomes by synthesizing results from the participating global coupled Earth system models. We limit our scope to the analysis of strictly geophysical outcomes: mainly global averages and spatial patterns of change for surface air temperature and precipitation. We also compare CMIP6 projections to CMIP5 results, especially for those scenarios that were designed to provide continuity across the CMIP phases, at the same time highlighting important differences in forcing composition, as well as in results. The range of future temperature and precipitation changes by the end of the century (2081–2100) encompassing the Tier 1 experiments based on the Shared Socioeconomic Pathway (SSP) scenarios (SSP1-2.6, SSP2-4.5, SSP3-7.0 and SSP5-8.5) and SSP1-1.9 spans a larger range of outcomes compared to CMIP5, due to higher warming (by close to 1.5 ∘C) reached at the upper end of the 5 %–95 % envelope of the highest scenario (SSP5-8.5). This is due to both the wider range of radiative forcing that the new scenarios cover and the higher climate sensitivities in some of the new models compared to their CMIP5 predecessors. Spatial patterns of change for temperature and precipitation averaged over models and scenarios have familiar features, and an analysis of their variations confirms model structural differences to be the dominant source of uncertainty. Models also differ with respect to the size and evolution of internal variability as measured by individual models' initial condition ensemble spreads, according to a set of initial condition ensemble simulations available under SSP3-7.0. These experiments suggest a tendency for internal variability to decrease along the course of the century in this scenario, a result that will benefit from further analysis over a larger set of models. Benefits of mitigation, all else being equal in terms of societal drivers, appear clearly when comparing scenarios developed under the same SSP but to which different degrees of mitigation have been applied. It is also found that a mild overshoot in temperature of a few decades around mid-century, as represented in SSP5-3.4OS, does not affect the end outcome of temperature and precipitation changes by 2100, which return to the same levels as those reached by the gradually increasing SSP4-3.4 (not erasing the possibility, however, that other aspects of the system may not be as easily reversible). Central estimates of the time at which the ensemble means of the different scenarios reach a given warming level might be biased by the inclusion of models that have shown faster warming in the historical period than the observed. Those estimates show all scenarios reaching 1.5 ∘C of warming compared to the 1850–1900 baseline in the second half of the current decade, with the time span between slow and fast warming covering between 20 and 27 years from present. The warming level of 2 ∘C of warming is reached as early as 2039 by the ensemble mean under SSP5-8.5 but as late as the mid-2060s under SSP1-2.6. The highest warming level considered (5 ∘C) is reached by the ensemble mean only under SSP5-8.5 and not until the mid-2090s.

54 ENVIRONMENTAL SCIENCES↗

Methods of improving brain dose estimates for internally deposited radionuclides *

The US National Council on Radiation Protection and Measurements (NCRP) convened Scientific Committee 6–12 (SC 6–12) to examine methods for improving dose estimates for brain tissue for internally deposited radionuclides, with emphasis on alpha emitters. This Memorandum summarises the main findings of SC 6–12 described in the recently published NCRP Commentary No. 31, ‘Development of Kinetic and Anatomical Models for Brain Dosimetry for Internally Deposited Radionuclides’. The Commentary examines the extent to which dose estimates for the brain could be improved through increased realism in the biokinetic and dosimetric models currently used in radiation protection and epidemiology. A limitation of most of the current element-specific systemic biokinetic models is the absence of brain as an explicitly identified source region with its unique rate(s) of exchange of the element with blood. The brain is usually included in a large source region called Other that contains all tissues not considered major repositories for the element. In effect, all tissues in Other are assigned a common set of exchange rates with blood. A limitation of current dosimetric models for internal emitters is that activity in the brain is treated as a well-mixed pool, although more sophisticated models allowing consideration of different activity concentrations in different regions of the brain have been proposed. Here case studies for 18 internal emitters indicate that brain dose estimates using current dosimetric models may change substantially (by a factor of 5 or more), or may change only modestly, by addition of a sub-model of the brain in the biokinetic model, with transfer rates based on results of published biokinetic studies and autopsy data for the element of interest. As a starting place for improving brain dose estimates, development of biokinetic models with explicit sub-models of the brain (when sufficient biokinetic data are available) is underway for radionuclides frequently encountered in radiation epidemiology. A longer-term goal is development of coordinated biokinetic and dosimetric models that address the distribution of major radioelements among radiosensitive brain tissues.

61 RADIATION PROTECTION AND DOSIMETRY↗

Mitigation Methods for Piperazine Oxidation in Post-Combustion Carbon Capture

Piperazine is a promising second-generation solvent for amine scrubbing in post-combustion CO2 capture. However, the oxidative degradation of PZ can cause environmental problems and economic loss. This work presents the effects of two mitigation methods: carbon treating and N2 sparging, on the PZ oxidation in long-term operations. The species and their respective quantities adsorbed by the activated carbon were tested in a bench-scale device. The carbon was then tested in the High Temperature Oxidation Reactor (HTOR), where the solvent oxidizes at a reasonably fast rate. Pilot plant campaigns were also performed at the UT Austin SRP and the National Carbon Capture Center (NCCC) and the effects were verified. When dissolved Fe is removed by carbon treating or other methods, available soluble Fe in the system dissolves and replaces the dissolved Fe. Therefore, all available Fe and ligands need to be removed for the mitigation to be effective. The sources of soluble Fe include fly ash and the corrosion of stainless steel, and the ligands are degradation products. 8 All PZ degraded solvents have two absorbance peaks at 320 nm and 538 nm. The 320 nm peak is caused by dissolved metals, especially Fe, complexed by degradation products. The 320 nm peak is related to the amine degradation level and can be used as a simple and efficient method to estimate the amine degradation rate. The pilot plant data suggest that NO2 can oxidize PZ significantly, possibly through radical reactions. 0.01 mmol/kg-hr absorption of NO2 increased the PZ oxidation rate from 1.2 mmol/kg-hr to 2.5 mmol/kg-hr.

Yuying, Wu↗

Estimate of Gamma Dose Rates from Arrays of Fermi-1 Blanket Elements During the MEDE Process

The Enrico Fermi Atomic Power Plant Unit 1 (Fermi-1) was a sodium-cooled fast breeder reactor located in Monroe County, Michigan. The reactor was powered by a core of enriched uranium metal alloy driver fuel, which was enveloped by an axial and radial blanket material consisting of depleted uranium metal alloyed with 3 wt.% molybdenum. There are 406 axial and 559 radial irradiated sodium-bonded Fermi-1 blanket assemblies in storage at INL, totaling 34 metric tons of heavy metal. Disposal of the Fermi-1 blanket material directly into a geological repository is prohibited due to the reactive characteristic of its bond sodium. A melt drain evaporate (MEDE) process can effectively remove bond sodium from Fermi-1 blanket material. Consequently, planning is underway to apply a MEDE process to treat the 34 metric tons of heavy metal of irradiated Fermi-1 blanket material. Given the irradiated Fermi-1 blanket material’s relatively low power history and 50+ years of decay, it can be treated in a shielded glovebox. To assess the requisite shielding, the dose rates of the Fermi-1 blanket elements in various process configurations are needed. The method to perform the dose rate calculations is to first generate an average source term and associated photon source spectra for the Fermi-1 blanket material in SCALE and then use the associated photon spectra to calculate dose rates using MCNP6.2 in seven representative geometries. Dose rates in rem/h were calculated on contact (1 cm from outer geometry surface), 30 cm away from outer geometry surface, and 1 m from outer geometry surface at axial heights spanning the length of the blanket material within the geometry. The maximum average dose rate for the single Fermi-1 radial blanket element is ~0.60 rem/h, for the Fermi-1 radial blanket assembly ~1.10 rem/h, for the single Fermi-1 axial blanket element ~0.5 rem/h, for the Fermi-1 axial blanket assembly ~1.01 rem/h, for the MEDE can ~ 0.98 rem/h, for the Fermi Storage Canister ~ 0.83 rem/h, and for the MEDE cans in the DOE Standard Canister ~0.51 rem/h. Based on these maximum average values, the bounding dose rates are assumed to be 3× the average dose rates calculated for the axial blanket material and 7.6× the average dose rates calculated for the radial blanket material, based on the distribution of Fermi-1 blanket material assembly burnup.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Ultrasonic measurement of temperature distributions in extreme environments: Electrical power plants testing in utility-scale steam generators

Thermal heterogeneities within energy conversion and storage, material processing, nuclear processes, aerospace, and military applications are often inaccessible to characterization by insertion sensors. When sensor deployment is possible, conventional pointwise temperature probes quickly degrade when inserted into harsh environments typical of such processes. We developed spatially-resolved ultrasonic thermometry to noninvasively measure the spatial distributions of thermal properties in such applications, even when sizable thermal gradients are present. Our method divides the path of ultrasonic propagation into segments bound by echogenic features, which create echoes in pulse-echo mode, encoding the information about interior temperature distributions. We use the acquired ultrasonic responses to estimate the internal temperature distributions by solving an inverse problem or concatenating segmental estimates. This work describes the implementation and industrial testing of the developed method at a coal-fired electrical power generation plant. We inserted an echogenically segmented Inconel 625 waveguide into the combustion zone of the utility-scale boiler and continuously acquired ultrasonic data while keeping sensitive components away from the damaging combustion environment. The accuracy of the time-dependent temperature distributions reconstructed from the ultrasonic measurements was comparable to that of thermocouples. The resiliency of ultrasonic thermometry to harsh combustion conditions was far superior to conventional insertion sensors. The measurements obtained during plant operation captured daily steam generation cycles in response to changing customer demand and intermittent contributions of renewable power sources to the power grid. These measurements have revealed new insights into the relationship between the dynamic power generation load and the conditions inside the steam generator. As a result, the successful industrial testing of spatially-resolved ultrasonic thermometry in solids indicates that the developed technology has matured to become an attractive alternative to conventional sensing in solving challenging problems of long-term thermal characterizations in extreme environments.

42 ENGINEERING↗

Automatically generated model for light alkene combustion

Light alkenes are common combustion intermediates for a variety of fuels. Therefore, understanding their oxidation and pyrolysis chemistry is key to building detailed mechanisms for heavier fuels. This work was focused on the development and evaluation of a detailed kinetic mechanism suitable for the combustion of light alkenes up to C 4 without the use of tuned parameters, instead, the parameter values come from first principles or direct measurements. The generated mechanism accurately estimates the laminar burning velocity (S u ) and ignition delay time (IDT) of light alkenes available in the literature, which represent fundamental combustion properties at a wide range of conditions. Because each parameter is thought to have a physically realistic value, not tuned to these measurements, the new model could be used as a sub-mechanism in models for other applications. The reaction network was generated with the open-source Reaction Mechanism Generator (RMG) software. Sensitivity analyses were performed under wide ranges of temperatures and pressures, allowing for the identification of the most impactful species and reactions. Based on these, a comprehensive thermochemistry database, including calculations on 550 molecules performed in this work at the CBS-QB3 level of theory, and a kinetic library, including theoretically-derived reaction rates retrieved from the literature, were built and used in the mechanism generation. The developed mechanism was compared against several existing detailed kinetic mechanisms for ethene, propene, 1-butene, 2-butene, and isobutene. Here, the newly generated model is the most accurate among the ones analyzed, in terms of fractional bias and normalized mean square error. Hence, this new model was used to analyze the chemistry of alkene combustion. Key rate coefficients were compared, to identify the cause of deviations between the models and possible areas for further improvements.

09 BIOMASS FUELS↗

Water use in a young Pinus taeda bioenergy plantation: Effect of intensive management on stand evapotranspiration

Abstract The increasing demand for plant‐derived bioenergy is projected to expand tree plantations with intensive silviculture and improved tree genetics. These silvicultural practices result in faster stand development and canopy closure, which may also influence the systems' water dynamics. Here, we studied the evapotranspiration (ET) of a young (5 years old) intensively managed loblolly pine ( Pinus taeda ) stand and investigated the components of ET to determine its contribution to overall water use. We also compared ET with plantations that received less intensive management to determine whether our stand used more water. We used the eddy covariance method to estimate ecosystem‐level total ET (ET EC ), while plot‐level estimates of ET (ET P ) were obtained via soil lysimeters, sap flow sensors, and throughfall collectors, enabling measurement of the components of ET. Soil evaporation (Es) was the largest component of ET P (36%) over the course of the study, while transpiration and canopy interception accounted for 27% and 22%, respectively. Es decreased with stand development, while transpiration and canopy interception increased. Leaf area index (LAI) and precipitation were the most significant factors controlling ET and its components. Compared to previous studies in different sites that have similar age but lower LAI, our stand had higher water use. This high water use in the early stages of stand development was primarily due to high Es before the canopy was fully developed. While there are potential sources of uncertainty when comparing ET EC and the component fluxes in ET P , results from the two methods were not significantly different. This study had the advantage of using multiple methods to understand and verify the component processes that contribute to ET. Therefore, we recommend that multiple measurement techniques be used in the long‐term observation of ET, and in particular for the evaluation of the impact that intensively managed forests have on water resources in the southeastern United States.

54 ENVIRONMENTAL SCIENCES↗

Quantification of oil and gas methane emissions in the Delaware and Marcellus basins using a network of continuous tower-based measurements

Abstract. According to the United States Environmental Protection Agency (US EPA), emissions from oil and gas infrastructure contribute 30 % of all anthropogenic methane (CH4) emissions in the US. Studies in the last decade have shown emissions from this sector to be substantially larger than bottom-up assessments, including the EPA inventory, highlighting both the increased importance of methane emissions from the oil and gas sector in terms of their overall climatological impact and the need for independent monitoring of these emissions. In this study we present continuous monitoring of regional methane emissions from two oil and gas basins using tower-based observing networks. Continuous methane measurements were taken at four tower sites in the northeastern Marcellus basin from May 2015 through December 2016 and five tower sites in the Delaware basin in the western Permian from March 2020 through April 2022. These measurements, an atmospheric transport model, and prior emission fields are combined using an atmospheric inversion to estimate monthly methane emissions in the two regions. This study finds the mean overall emission rate from the Delaware basin during the measurement period to be 146–210 Mg CH4 h−1 (energy-normalized loss rate of 1.1 %–1.5 %, gas-normalized rate of 2.5 %–3.5 %). Strong temporal variability in the emissions was present, with the lowest emission rates occurring during the onset of the COVID-19 pandemic. Additionally, a synthetic model–data experiment performed using the Delaware tower network shows that the presence of intermittent sources is not a significant source of uncertainty in monthly quantification of the mean emission rate. In the Marcellus, this study finds the overall mean emission rate to be 19–28 Mg CH4 h−1 (gas-normalized loss rate of 0.30 %–0.45 %), with relative consistency in the emission rate over time. These totals align with aircraft top-down estimates from the same time periods. In both basins, the tower network was able to constrain monthly flux estimates within ±20 % uncertainty in the Delaware and ±24 % uncertainty in the Marcellus. The results from this study demonstrate the ability to monitor emissions continuously and detect changes in the emissions field, even in a basin with relatively low emissions and complex background conditions.

54 ENVIRONMENTAL SCIENCES↗

Economic Model for Estimation of GDP Losses in the MACCS Offsite Consequence Analysis Code

The MACCS (MELCOR Accident Consequence Code System) code is the U.S. Nuclear Regulatory Commission (NRC) tool used to perform probabilistic health and economic consequence assessments for atmospheric releases of radionuclides. It is also used by international organizations, both reactor owners and regulators. It is intended and most commonly used for hypothetical accidents that could potentially occur in the future rather than to evaluate past accidents or to provide emergency response during an ongoing accident. It is designed to support probabilistic risk and consequence analyses and is used by the NRC, U.S. nuclear licensees, the Department of Energy, and international vendors, licensees, and regulators. This report describes the modeling framework, implementation, verification, and benchmarking of a GDP-based model for economic losses that has recently been developed as an alternative to the original cost-based economic loss model in MACCS. The GDP-based model has its roots in a code developed by Sandia National Laboratories for the Department of Homeland Security to estimate short-term losses from natural and manmade accidents, called the Regional Economic Accounting analysis tool (REAcct). This model was adapted and modified for MACCS and is now called the Regional Disruption Economic Impact Model (RDEIM). It is based on input-output theory, which is widely used in economic modeling. It accounts for direct losses to a disrupted region affected by an accident, indirect losses to the national economy due to disruption of the supply chain, and induced losses from reduced spending by displaced workers. RDEIM differs from REAcct in its treatment and estimation of indirect loss multipliers, elimination of double counting associated with inter-industry trade in the affected area, and that it is designed to be used to estimate impacts for extended periods that can occur from a major nuclear reactor accident, such as the one that occurred at the Fukushima Daiichi site in Japan. Most input-output models do not account for economic adaptation and recovery, and in this regard RDEIM differs from its parent, REAcct, because it allows for a user-definable national recovery period. Implementation of a recovery period was one of several recommendations made by an independent peer review panel to ensure that RDEIM is state-of-practice. For this and several other reasons, RDEIM differs from REAcct. Both the original and the RDEIM economic loss models account for costs from evacuation and relocation, decontamination, depreciation, and condemnation. Where the original model accounts for an expected rate of return, based on the value of property, that is lost during interdiction, the RDEIM model instead accounts for losses of GDP based on the industrial sectors located within a county. The original model includes costs for disposal of crops and milk that the RDEIM model currently does not, but these costs tend to contribute insignificantly to the overall losses. This document discusses three verification exercises to demonstrate that the RDEIM model is implemented correctly in MACCS. It also describes a benchmark study at five nuclear power plants chosen to represent the spectrum of U.S. commercial sites. The benchmarks provide perspective on the expected differences between the RDEIM and the original cost-based economic loss models. The RDEIM model is shown to consistently predict larger losses than the original model, probably in part because it accounts for national losses by including indirect and induced losses; whereas, the original model only accounts for regional losses. Nonetheless, the RDEIM model predicts losses that are remarkably consistent with the original cost-based model, differing by 16% at most for the five sites combined with three source terms considered in this benchmark.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Analysis of near-field and far-field aerosol dispersion for microreactors

The current paper presents a simulation-based analysis of aerosol dispersion in the near-field and far-field of a generic, conceptual microreactor operating at pressures close to the ambient pressure; therefore, in the event of an accident that causes radionuclide leakage from the microreactor containment, the radionuclide particles are less likely to travel too far from the reactor, as opposed to conventional reactors. Accordingly, the presented work provides estimates of average and 95-percentile values of the relative effluent concentration. A parametric study is then performed to narrow down the parameters which affect the aerosol dispersion characteristics most significantly. Simulations were performed in the computer code ARCON96, and the parameters found to affect aerosol dispersion characteristics are the atmospheric stability class, and the distance between the release point and the receptor. It is recommended that the computer code RADTRAD be used to calculate actual dosage over distance, using the outputs from ARCON96 as inputs, along with reactor-specific core term inventories. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Global Methane Budget 2000–2020

Abstract. Understanding and quantifying the global methane (CH4) budget is important for assessing realistic pathways to mitigate climate change. CH4 is the second most important human-influenced greenhouse gas in terms of climate forcing after carbon dioxide (CO2), and both emissions and atmospheric concentrations of CH4 have continued to increase since 2007 after a temporary pause. The relative importance of CH4 emissions compared to those of CO2 for temperature change is related to its shorter atmospheric lifetime, stronger radiative effect, and acceleration in atmospheric growth rate over the past decade, the causes of which are still debated. Two major challenges in quantifying the factors responsible for the observed atmospheric growth rate arise from diverse, geographically overlapping CH4 sources and from the uncertain magnitude and temporal change in the destruction of CH4 by short-lived and highly variable hydroxyl radicals (OH). To address these challenges, we have established a consortium of multidisciplinary scientists under the umbrella of the Global Carbon Project to improve, synthesise, and update the global CH4 budget regularly and to stimulate new research on the methane cycle. Following Saunois et al. (2016, 2020), we present here the third version of the living review paper dedicated to the decadal CH4 budget, integrating results of top-down CH4 emission estimates (based on in situ and Greenhouse Gases Observing SATellite (GOSAT) atmospheric observations and an ensemble of atmospheric inverse-model results) and bottom-up estimates (based on process-based models for estimating land surface emissions and atmospheric chemistry, inventories of anthropogenic emissions, and data-driven extrapolations). We present a budget for the most recent 2010–2019 calendar decade (the latest period for which full data sets are available), for the previous decade of 2000–2009 and for the year 2020. The revision of the bottom-up budget in this 2025 edition benefits from important progress in estimating inland freshwater emissions, with better counting of emissions from lakes and ponds, reservoirs, and streams and rivers. This budget also reduces double counting across freshwater and wetland emissions and, for the first time, includes an estimate of the potential double counting that may exist (average of 23 Tg CH4 yr−1). Bottom-up approaches show that the combined wetland and inland freshwater emissions average 248 [159–369] Tg CH4 yr−1 for the 2010–2019 decade. Natural fluxes are perturbed by human activities through climate, eutrophication, and land use. In this budget, we also estimate, for the first time, this anthropogenic component contributing to wetland and inland freshwater emissions. Newly available gridded products also allowed us to derive an almost complete latitudinal and regional budget based on bottom-up approaches. For the 2010–2019 decade, global CH4 emissions are estimated by atmospheric inversions (top-down) to be 575 Tg CH4 yr−1 (range 553–586, corresponding to the minimum and maximum estimates of the model ensemble). Of this amount, 369 Tg CH4 yr−1 or ∼ 65 % is attributed to direct anthropogenic sources in the fossil, agriculture, and waste and anthropogenic biomass burning (range 350–391 Tg CH4 yr−1 or 63 %–68 %). For the 2000–2009 period, the atmospheric inversions give a slightly lower total emission than for 2010–2019, by 32 Tg CH4 yr−1 (range 9–40). The 2020 emission rate is the highest of the period and reaches 608 Tg CH4 yr−1 (range 581–627), which is 12 % higher than the average emissions in the 2000s. Since 2012, global direct anthropogenic CH4 emission trends have been tracking scenarios that assume no or minimal climate mitigation policies proposed by the Intergovernmental Panel on Climate Change (shared socio-economic pathways SSP5 and SSP3). Bottom-up methods suggest 16 % (94 Tg CH4 yr−1) larger global emissions (669 Tg CH4 yr−1, range 512–849) than top-down inversion methods for the 2010–2019 period. The discrepancy between the bottom-up and the top-down budgets has been greatly reduced compared to the previous differences (167 and 156 Tg CH4 yr−1 in Saunois et al. (2016, 2020) respectively), and for the first time uncertainties in bottom-up and top-down budgets overlap. Although differences have been reduced between inversions and bottom-up, the most important source of uncertainty in the global CH4 budget is still attributable to natural emissions, especially those from wetlands and inland freshwaters. The tropospheric loss of methane, as the main contributor to methane lifetime, has been estimated at 563 [510–663] Tg CH4 yr−1 based on chemistry–climate models. These values are slightly larger than for 2000–2009 due to the impact of the rise in atmospheric methane and remaining large uncertainty (∼ 25 %). The total sink of CH4 is estimated at 633 [507–796] Tg CH4 yr−1 by the bottom-up approaches and at 554 [550–567] Tg CH4 yr−1 by top-down approaches. However, most of the top-down models use the same OH distribution, which introduces less uncertainty to the global budget than is likely justified. For 2010–2019, agriculture and waste contributed an estimated 228 [213–242] Tg CH4 yr−1 in the top-down budget and 211 [195–231] Tg CH4 yr−1 in the bottom-up budget. Fossil fuel emissions contributed 115 [100–124] Tg CH4 yr−1 in the top-down budget and 120 [117–125] Tg CH4 yr−1 in the bottom-up budget. Biomass and biofuel burning contributed 27 [26–27] Tg CH4 yr−1 in the top-down budget and 28 [21–39] Tg CH4 yr−1 in the bottom-up budget. We identify five major priorities for improving the CH4 budget: (i) producing a global, high-resolution map of water-saturated soils and inundated areas emitting CH4 based on a robust classification of different types of emitting ecosystems; (ii) further development of process-based models for inland-water emissions; (iii) intensification of CH4 observations at local (e.g. FLUXNET-CH4 measurements, urban-scale monitoring, satellite imagery with pointing capabilities) to regional scales (surface networks and global remote sensing measurements from satellites) to constrain both bottom-up models and atmospheric inversions; (iv) improvements of transport models and the representation of photochemical sinks in top-down inversions; and (v) integration of 3D variational inversion systems using isotopic and/or co-emitted species such as ethane as well as information in the bottom-up inventories on anthropogenic super-emitters detected by remote sensing (mainly oil and gas sector but also coal, agriculture, and landfills) to improve source partitioning. The data presented here can be downloaded from https://doi.org/10.18160/GKQ9-2RHT (Martinez et al., 2024).

54 ENVIRONMENTAL SCIENCES↗

A generalized machine learning workflow to visualize mechanical discontinuity

Accurate detection and mapping of mechanical discontinuity in materials has widespread industrial and research applications. Herein, we developed a generalized machine-learning framework for visualizing single mechanical discontinuity embedded in material of any composition, velocity, density, porosity, and size with limited data. The proposed visualization of discontinuity requires accurate estimations of the length, location, and orientation of the embedded discontinuity by processing multipoint wave-transmission measurements. k-Wave simulator is used to create a large dataset of elastic waveforms recorded during multi-point wave-transmission measurements through materials containing single mechanical discontinuity. k-Wave simulator considers the wave attenuation, dispersion, and mode conversion in wave motion. Discrete wavelet transform (DWT) and statistical feature extraction are essential for data preprocessing prior to the data-driven model development. DWT also minimizes the effect of noise. Using hyper-parameter tuning and cross validation, gradient boosting regression can visualize the mechanical discontinuity with an accuracy of 0.85, in terms of coefficient of determination. A double-layered neural network-based regression has better performance with an accuracy of 0.95. Use of convolutional neural network converts the predictive task from a waveform processing to an image processing problem. Convolutional neural network achieved a generalization performance of 0.91. The proposed generalized workflow requires robust simulation of wave propagation, signal processing, feature engineering, and model evaluation. Sensors closest to the source and those located opposite the source are the most significant for the desired visualization. Notably, the sensors closest to the source capture the non-linear associations, whereas the sensor on the border opposite to the source capture the linear associations between the measured waveforms and the properties of the mechanical discontinuity.

42 ENGINEERING↗

Improving deep learning-based protein distance prediction in CASP14

Abstract Motivation Accurate prediction of residue–residue distances is important for protein structure prediction. We developed several protein distance predictors based on a deep learning distance prediction method and blindly tested them in the 14th Critical Assessment of Protein Structure Prediction (CASP14). The prediction method uses deep residual neural networks with the channel-wise attention mechanism to classify the distance between every two residues into multiple distance intervals. The input features for the deep learning method include co-evolutionary features as well as other sequence-based features derived from multiple sequence alignments (MSAs). Three alignment methods are used with multiple protein sequence/profile databases to generate MSAs for input feature generation. Based on different configurations and training strategies of the deep learning method, five MULTICOM distance predictors were created to participate in the CASP14 experiment. Results Benchmarked on 37 hard CASP14 domains, the best performing MULTICOM predictor is ranked 5th out of 30 automated CASP14 distance prediction servers in terms of precision of top L/5 long-range contact predictions [i.e. classifying distances between two residues into two categories: in contact (<8 Angstrom) and not in contact otherwise] and performs better than the best CASP13 distance prediction method. The best performing MULTICOM predictor is also ranked 6th among automated server predictors in classifying inter-residue distances into 10 distance intervals defined by CASP14 according to the precision of distance classification. The results show that the quality and depth of MSAs depend on alignment methods and sequence databases and have a significant impact on the accuracy of distance prediction. Using larger training datasets and multiple complementary features improves prediction accuracy. However, the number of effective sequences in MSAs is only a weak indicator of the quality of MSAs and the accuracy of predicted distance maps. In contrast, there is a strong correlation between the accuracy of contact/distance predictions and the average probability of the predicted contacts, which can therefore be more effectively used to estimate the confidence of distance predictions and select predicted distance maps. Availability and implementation The software package, source code and data of DeepDist2 are freely available at https://github.com/multicom-toolbox/deepdist and https://zenodo.org/record/4712084#.YIIM13VKhQM. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗

Estimating outflow masses and velocities in merger simulations: Impact of r -process heating and neutrino cooling

Here, the determination of the mass, composition, and geometry of matter outflows in black hole-neutron star and neutron star-neutron star binaries is crucial to current efforts to model kilonovae and to understand the role of neutron star merger in r-process nucleosynthesis. In this manuscript, we review the simple criteria currently used in merger simulations to determine whether matter is unbound and what the asymptotic velocity of ejected material will be. We then show that properly accounting for both heating and cooling during r-process nucleosynthesis is important to accurately predict the mass and kinetic energy of the outflows. These processes are also likely to be crucial to predict the fall-back timescale of any bound ejecta. We derive a model for the asymptotic velocity of unbound matter and binding energy of bound matter that accounts for both of these effects and that can easily be implemented in merger simulations. We show, however, that the detailed velocity distribution and geometry of the outflows can currently only be captured by full three-dimensional fluid simulations of the outflows, as nonlocal effect ignored by the simple criteria used in merger simulations cannot be safely neglected when modeling these effects. Finally, we propose the introduction of simple source terms in the fluid equations to approximately account for heating/cooling from r-process nucleosynthesis in future seconds-long three-dimensional simulations of merger remnants, without the explicit inclusion of out-of-nuclear statistical equilibrium reactions in the simulations.

79 ASTRONOMY AND ASTROPHYSICS↗

Benchmark Exercise Report for Experimental Study of Bubble Scrubbing in Sodium Pool

Mechanistic source term (MST) analyses are likely to be an important part of advanced reactor licensing applications. For the purpose, an MST analysis code applicable to newly introduced advanced reactors, called SRT (Simplified Radionuclide Transport) code, has been developed by Argonne National Laboratory. SRT can track overall behaviors of radionuclides especially in metal fuel-based sodium fast reactors (SFRs) and microreactors. Throughout the simulation, migration inside fuel pins before failure, interaction with coolant (for SFR), removal/leakage in cover gas and containment (or confinement), and environmental dose impacts are considered alongside radioactive decay for short-lived nuclides. Among the postulated process, pool scrubbing phenomenon, especially under sodium pool condition, has been identified as high importance with limited supportive data. The phenomenon plays a crucial role in assessing the degree of radiological impacts as radioactive aerosols or vapors are efficiently and effectively removed during the process. To provide validation basis for SRT in assessing pool scrubbing performance inside sodium pools, the University of Wisconsin-Madison performed tests including extensive parametric effects. Separate effect tests were conducted to directly evaluate the SRT models and to estimate degree of contribution by each contributing factor. Specifically, bubble size, aerosol size, aerosol density, aerosol concentration, pool depth, system temperature, and bubble swarm effects were considered. According to the parametric effects, decontamination performance enhances with decreasing bubble size, large density, and deeper pool height. Aerosol concentration provides no effect for the whole range of interest, and pool temperature variation shows minor effects under the considered temperature condition. When multiple bubbles are injected generating a bubble swarm condition, DF performance further enhances by bubble interactions and turbulence characteristics. The measurement shows the exceptional importance of aerosol size range considered, with the lowest decontamination, where most radionuclides are expected to escape.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Grid Interconnection and Renewables Deployment Related Air Quality and Human Health Benefits in Southeast Asia

The Association of Southeast Asian Nations (ASEAN) has increasingly focused on multilateral electricity trade, improved grid resiliency and modernization. These opportunities in the power sector have been studied through the ASEAN Interconnection Masterplan Studies, the most recent of which is the ASEAN Interconnection Masterplan Study III (AIMS III). AIMS III assessed four different scenarios of power system in the ASEAN countries that include a base scenario and three additional scenarios (called optimum RE, ASEAN RE, and High RE) considering different levels of deployment of renewable energy (RE) and cross-border generation and trade of electricity for three years (2025, 2030, 2040). In this work, we quantify the potential air quality and public health co-benefits of AIMS III scenarios. For a rapidly expanding, energy hungry region like SE Asia generation is power generation is expected to increase significantly. The AIMS III scenarios' capacity expansion modeling suggest that: 1) Generation nearly doubles from 2025 to 2040 in all four AIMS III scenarios; 2) Most of the increased generation is met by coal in all four AIMS III scenarios; 3) While renewables generation increases in all four AIMS III scenarios, the fraction of total generation (its share) generally decreases because of the much greater increase in non-renewable sources, mostly coal. Only in the High RE Target scenario do renewables represent a higher share in 2040 than in 2025, though even here it is at the expense of natural gas rather than coal; 4) As a result, emissions of gaseous and aerosol pollutants increase significantly in all scenarios. Because emissions increase in 2040 compared to 2025 for all four AIMS III scenarios, so do PM2.5 concentrations. Even for the High RE Target scenario (the scenario with highest share of renewable energy), compared to the Base scenario in 2025, in 2040 PM2.5 concentrations are higher. Compared to the Base scenario in the same years, the Optimum RE and ASEAN RE Target scenarios do not differ very much from the Base in terms of PM2.5 concentration. The High RE Target scenario, on the other hand, yields noticeably lower PM2.5 concentration. For example, in 2040 the population-weighted decrease in annual average PM2.5 concentration in the High RE Target scenario relative to the Base scenario is 0.5 ug m-3. Compared to the Base scenario in 2040, each of the alternative AIMS III scenarios is estimated to result in net reductions in power-sector air quality-related excess mortality in the ASEAN region. Yet there are a few countries for which the Optimum RE and ASEAN RE Target result in increases in PM2.5-related excess mortality (Thailand and Vietnam for the ASEAN RE Target scenario and Thailand for the Optimum RE scenario). However, for the High RE Target scenario, all countries benefit and find reductions in excess mortality resulting from the power sector scenarios modeled in AIMS III with regionwide mortality decreasing by 16,000 compared to the Base scenario in 2040. In summary, our analysis finds that changing power generation emissions is a crucial lever for improving public health in ASEAN member countries and provides a pathway for policymakers to make decision backed by a realistic power sector expansion and air quality analyses.

air quality↗

A Contextually Supervised Optimization-Based HVAC Load Disaggregation Methodology

This paper presents a novel contextually supervised optimization-based approach for disaggregating heating, ventilation, and air-conditioning (HVAC) loads using smart meter or Supervisory Control and Data Acquisition data. To disaggregate the load into HVAC loads, large and infrequently used loads (LIUL), and base loads, we formulate an optimization problem to minimize a set of five loss terms, consisting of the reconstruction errors of the overall load profile, the ramp rate losses, and three distinct loss functions linked with the HVAC load, base load, and LIUL, respectively. To enhance accuracy, we incorporate two forms of contextual information into the problem formulation. First, we utilize mutual information to estimate HVAC energy consumption. Second, we employ a base load dictionary to constrain HVAC load estimation errors. The obtained HVAC load profiles are fine-tuned by abnormal ramp detection followed by binary hypothesis testing. Here, the proposed method is developed and tested using sub-metered residential and commercial building data. Simulation results show that the proposed method outperforms existing methods across various data resolutions and load aggregation levels, showing excellent transferability and generalizability.

24 POWER TRANSMISSION AND DISTRIBUTION↗