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

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Nonlinear ultrasonic technique for the characterization of microstructure in additive materials

This study employs nonlinear ultrasonic techniques to track microstructural changes in additively manufactured metals. The second harmonic generation technique based on the transmission of Rayleigh surface waves is used to measure the acoustic nonlinearity parameter, β. Stainless steel specimens are made through three procedures: traditional wrought manufacturing, laser-powder bed fusion, and laser engineered net shaping. The β parameter is measured through successive steps of an annealing heat treatment intended to decrease dislocation density. Dislocation density is known to be sensitive to manufacturing variables. In agreement with fundamental material models for the dislocation-acoustic nonlinearity relationship in the second harmonic generation, β drops in each specimen throughout the heat treatment before recrystallization. Geometrically necessary dislocations (GNDs) are measured from electron back-scatter diffraction as a quantitative indicator of dislocations; average GND density and β are found to have a statistical correlation coefficient of 0.852 showing the sensitivity of β to dislocations in additively manufactured metals. Moreover, β shows an excellent correlation with hardness, which is a measure of the macroscopic effect of dislocations.

42 ENGINEERING↗
DOE OSTI2023

Functional Predictor Variables for the Leaching Potential of Arsenic and Selenium from Coal Fly Ash

The release of leachates from intact coal ash impoundments is a concern due to the enrichment and mobilization of toxic elements such as arsenic (As) and selenium (Se). This study aims to explore the intrinsic properties of coal fly ash that correlate with the relative leachability of As and Se. We performed leaching experiments with 52 fly ash samples collected from 15 different U.S. power plants and representing coal feedstocks from the three major domestic regions. We assessed the mobilization potential of As and Se in fly ash based on standardized leaching protocols and performed multivariate and lasso regression analyses to explore correlations of leachable As and Se contents with characteristics such as major element contents, loss on ignition, and pH. The results of regression models indicated that major elements (Fe, Ca, and Al) for a wide range of fly ashes can serve as predictor variables for the leaching potential of As but not for Se. LOI and pH were not important predictive variables in the models. Both regression approaches resulted in relatively strong fits for leachable As (correlation coefficient R 2 = 0.78 for both models) compared to models for leachable Se (R 2 = 0.49). Overall, these results suggest that correlation models combined with on-site elemental analysis with portable analyzers may enable a screening method for leachable As in coal ash.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Characterization of Arsenic and Selenium in Coal Fly Ash to Improve Evaluations for Disposal and Reuse Potential (Final Technical Report)

Coal fly ash is a high volume waste material that is discarded in landfills and surface water impoundments across the U.S. and is also widely recycled for a variety of applications. The leaching of potential of contaminants of concern, such as arsenic (As) and selenium (Se), is often the driver of risk assessments for coal ash disposal and reuse. The extent of leachable As and Se depends on several factors related to environmental conditions and fly ash characteristics. Previous studies employed various methods to delineate the concentration, chemical form, and distribution of As and Se in fly ash materials. However, few studies have attempted to directly correlate these properties to mobilization parameters relevant to disposal and reuse. Instead, the coal residuals industries often rely upon standardized leaching protocols that can be laborious or involve hazardous chemicals. The goals of the project were to: 1) Develop and evaluate a characterization protocol that can be used to screen fly ash samples for leachability of As and Se; 2) Characterize As, Se, and associated constituents of fly ash particles at multiple length scales (nanometer to micrometer) to determine if elemental associations differ as a function of the resolution of characterization; and 3) Establish a predictive model for the chemical composition of coal ash produced annually at major U.S. coal fired power facilities on 50-year national coal supply records. For the first objective, we performed leaching experiments with 52 fly ash samples collected from 15 different U.S. power plants and representing coal feedstocks from the three major domestic coal regions. For this work, we assessed the mobilization potential of As and Se in fly ash based on standardized leaching protocols and performed multivariate and lasso regression analyses to explore correlations of leachable As and Se contents with characteristics such as major element contents, loss on ignition (LOI) and pH. The results of regression models indicated that major elements (Fe, Ca, Al) for a wide range of fly ashes can serve as predictor variables for the leaching potential of As, but not for Se. LOI and pH were not important predictive variables in the models. Both regression approaches resulted in relatively strong fits for leachable As (correlation coefficient R 2 = 0.78 for both models) compared to models for leachable Se (R 2 = 0.49). Overall, these results suggest that correlation models combined with on-site elemental analysis with portable analyzers may enable a screening method for leachable As in coal ash. For the second objective, we utilized nanoscale 2-D imaging (30-50 nm spot size) with the Hard X-ray Nanoprobe (HXN) in combination with microprobe X-ray capabilities (~5 µm resolution) to determine As and Se elemental associations in fly ash particles. Speciation of As and Se was also measured at the nano- to microscale with X-ray absorption spectroscopy. The enhanced resolution of HXN showed As and Se that were diffusely located around or comingled with Ca- and Fe-rich particles. The results also showed nanoparticles of Se attached to the surface of fly ash grains. Overall, a comparison of As and Se species across scales highlights the heterogeneity and complexity of chemical associations for these trace elements of concern in coal fly ash. For the final objective, we developed a predictive model for major element composition of coal ash in reserve at disposal sites of major U.S. coal fired power plants. This model was constructed from coal purchase records of 705 power stations from 1973-2022 and was trained on coal ash composition data showing that coal ash elemental composition is strongly associated with the source of feedstock coal. The model showed regional shifts in the major element contents of ash produced by power plants in the last 50 years, particularly for calcium and iron (expressed as %CaO and %Fe 2 O 3 ), as coal-fired power stations changed their source of coal over this time frame. Our approach enables an estimation of coal ash chemical composition that is stored in waste impoundments at individual power stations. Such information can help delineate the regional market potential for material applications that would utilize coal ash harvested from disposal sites across the U.S.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Calculating a minimum overlap period for successful intercalibration of soil moisture sensors

Abstract Long‐term in situ soil moisture monitoring inevitably requires sensors to be replaced. Ensuing discontinuities in the data record can be mitigated by intercalibration, however it is unclear how long the existing sensor needs to remain alongside the newly installed before there is enough overlapping data to generate a robust intercalibration. We used 154 pairs of established and newly installed sensors within the Marena, Oklahoma, In Situ Sensor Testbed to determine if there is a minimum overlap time that should be considered when planning upcoming replacements. Hourly observations of the existing sensor were linearly calibrated to those of the newly installed sensor with coefficients determined from overlap periods incremented by 30 days until a reference period of 2 years was reached. The resulting bias, root‐mean‐square error, and correlation coefficient for sensor pairs indicate that a minimum of 6 to 9 months of overlapping data are required to generate a successful intercalibration. Extending that to a full year before decommissioning the old sensor results in a stable intercalibration with higher confidence.

Agriculture↗
DOE OSTI2025

Optimal Complementarity Analysis of Potential Floating Solar Co-Located With Existing Hydropower Assets Across the Contiguous United States

The U.S. is expected to double its rate of renewable capacity from 2024 to 2030. However, the stochastic nature of renewable energy poses challenges to the operation and reliability of our power grid. The combined generation from renewable energy sources, with dispatchable sources (such as hydropower) operating as a hybrid energy plant, could mitigate this variability. In this paper, the complementarity analysis of selected U.S. reservoirs with existing hydropower assets (EHAs) and potential floating photovoltaics (FPVs) is conducted for the continuous U.S. (CONUS). The optimal FPV capacity for each site is determined by minimizing the variability of the combined output, while adhering to the FPV potential. Our results indicate that over 50% of the analyzed reservoirs achieve a stability coefficient exceeding 0.5, leading to a less-variable output after optimization. Finally, we analyze the complementary hydro-FPV hybrid reservoirs by considering both the Pearson correlation coefficient and the stability coefficient on daily, monthly, and yearly scales. Summaries are included of locations of theoretical FPVs co-located with hydropower plants that exhibit high complementarity based on the selected metrics.

13 - HYDRO ENERGY↗
DOE OSTI2022

Correlation Calculations for the Russian Pu Metal Fast Experiments

Nuclear criticality experiments are often conducted in campaigns with multiple variations. These experiments reuse the same basic components, like the fuel, moderator, or positioning machines. The components have uncertainties in their geometry and composition that propagate to models of the experiments. Shared components create shared uncertainty between the $k_{eff}$ of benchmarks. The shared uncertainty is commonly quantified with a covariance, or correlation coefficient. These covariances can impact criticality safety and nuclear data validation applications. While benchmark evaluations tabulate an experiment’s uncertainty, they often lack a detailed calculation of correlations between experiments. Even some very commonly used benchmarks, like the Russian Pu Metal Fast (PMF) experiments, have missing correlations. This paper presents our approach to calculate the correlations for five of the Russian PMF experiments. The experiments share hemispherical Pu shells that induce a correlation between modeled $k_{eff}$ values. We estimated the correlations with simplified and detailed models of the experiments through linear-perturbation theory. The correlations between the experiments vary significantly between the detailed vs. simplified models. We also investigate how the correlations affect validation metrics of the experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Planck Dust Polarization Power Spectra Are Consistent with Strongly Supersonic Turbulence

Abstract The polarization of the cosmic microwave background is rich in information but obscured by foreground emission from the Milky Way’s interstellar medium (ISM). To uncover relationships between the underlying turbulent ISM and the foreground power spectra, we simulated a suite of driven, magnetized, turbulent models of the ISM, varying the fluid properties via the sonic Mach number, M S , and magnetic (Alfvén) Mach number, M A . We measure the power spectra of density ( ρ ), velocity ( v ), magnetic field ( H ), total projected intensity ( T ), parity-even polarization ( E ), and parity-odd polarization ( B ). We find that the slopes of all six quantities increase with M S . Most increase with M A , while the magnetic field spectrum steepens with M A . By comparing spectral slopes of E and B to those measured by Planck, we infer typical values of M S and M A for the ISM. As the fluid velocity increases, M S > 4 , the ratio of BB power to EE power increases to approach a constant value near the Planck-observed value of ∼0.5, regardless of the magnetic field strength. We also examine correlation coefficients between projected quantities, and find that r TE ≈ 0.3, in agreement with Planck, for appropriate combinations of M S and M A . Finally, we consider parity-violating correlations r TB and r EB .

Astronomy & Astrophysics↗
DOE OSTI2024

Climatic Drivers for the Variation of Gross Primary Productivity Across Terrestrial Ecosystems in the United States

Abstract Temperature and water stress are important factors limiting the gross primary productivity (GPP) in terrestrial ecosystems, yet the extent of their influence across ecosystems remains uncertain. This study examines how surface air temperature, soil water availability (SWA) and vapor pressure deficit (VPD) influence ecosystem light use efficiency (LUE), a critical metric for assessing GPP, across different ecosystems and climatic zones at 80 flux tower sites based on in situ measurements and data assimilation products. Results indicate that LUE increases with temperature in spring, with higher correlation coefficients in colder regions (0.79–0.82) than in warmer regions (0.68–0.78). LUE reaches a plateau earlier in the season in warmer regions. LUE variations in summer are mainly driven by SWA, exhibiting a positive correlation indicative of a water‐limited regime. The relationship between the daily LUE and daytime temperature shows a clear seasonal hysteresis at many sites, with a higher LUE in spring than in fall under the same temperature, likely resulting from younger leaves being more efficient in photosynthesis. Drought stress influences LUE through SWA in all ranges of water availability; VPD variation under moderate conditions does not have a clear influence on LUE, but extremely high VPD (exceeding the threshold of 1.6 kPa, often observed during extreme drought‐heat events) causes a dramatic reduction of LUE. Our findings provide insight into how ecosystem productivities respond to climate variability and how they may change under the influence of more frequent and severe heat and drought events projected for the future.

Environmental Sciences & Ecology↗
DOE OSTI2023

Considering Factors for Ion Concentrations in Precipitation at the Savannah River Site

Precipitation was collected from three different areas on the Savannah River Site during 2021. The precipitation was analyzed for concentrations of 29 different ions and compared with data on factors such as wind speed, wind direction, rain drop sizes, and more. The 2021 ion concentrations were also compared to the ion concentrations from previous years at the site as well as from Santee National Wildlife Refuge which is nearby. The historical ion concentrations data was gathered from the National Atmospheric Deposition Program. Scatter plots and correlation coefficients were used to identify what factors may have the greatest impact on ion concentration in rainwater. The data generally followed the same trends with a few notable outliers. There initially seemed to be a strong correlation between the mean diameter and some ion concentrations as both increased in July. However, ion concentrations in different areas were related to different wind directions, thus spatial variability must be considered. These factors, spatial variability of atmospheric particles and wind direction, impact concentrations of ions in precipitation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Characteristics and mathematical modeling of apple slice drying in an electrohydrodynamic system with a needle‐plate electrode

Abstract The drying of apple slices in an electrohydrodynamic (EHD) system with a needle‐plate electrode was characterized and mathematically modeled at voltages of 30, 40, and 50 kV and with distances between needles of 5, 6, and 7 cm. The results showed that the drying rate, effective water diffusion coefficient, and rehydration ratio of the apple slices, and specific energy consumption of drying, all increased with increasing voltage. Initially, there was a period when the drying rate was approximately constant in the low‐voltage EHD, but not in the high voltage conditions. At the same voltage, the drying rate was highest when the distance between needles was 6 cm. The voltage and distance between needles had a significant ( p < .05) interactive effect on the effective water diffusion coefficient and specific energy consumption, but not on the rehydration ratio. General mathematical models for drying can be used to represent the drying behavior of apple slices. The Midilli and Kucuk model and the Logarithmic model had the best fits, with correlation coefficients of 0.998803 and 0.998267, respectively. Predictive functions for the moisture ratio of apple slices based on voltage and distance between needles were established and verified. The results indicated that the Logarithmic model could more accurately predict the moisture ratio of apple slices dried using the EHD method. Practical Applications As a new drying technology, electrohydrodynamic (EHD) drying has unequaled advantages. According to the results, using the appropriate voltage and distance between needles improves not only drying efficiency, but also the rehydration ratio of apple slices, which reflects the quality of dried products. The Logarithmic model can accurately predict the EHD drying behavior of apple slices, which is of great significance in optimizing actual production.

Li, Bowen↗
DOE OSTI2021

Modeling Volatility-Based Aerosol Phase State Predictions in the Amazon Rainforest

Organic aerosol (OA) is a complex matrix of various constituents—fresh (primary organic aerosols—POA) and aged via oxidation (secondary organic aerosols—SOA), generated from biogenic, anthropogenic, and biomass burning sources. The viscosity of OA can be critical in influencing new particle formation, reactive uptake processes that impact evaporation-growth kinetics, and the lifetime of particles in the atmosphere. We report this work utilizes a well-defined relationship between volatility and viscosity for pure compounds, which we incorporated within the Weather Research and Forecasting Model coupled to chemistry (WRF-Chem) to simulate the phase state and viscosity of bulk OA during the dry-to-wet transition season (September–October) in the Amazon rainforest during 2014. Our simulations indicate spatial and temporal heterogeneity in aerosol phase state often not captured by global-scale models. We show the strong role of water associated with organic aerosol ($w_s$) as the dominant factor that can be used to quantitatively estimate OA viscosity. Analysis of WRF-Chem simulations across the entire atmospheric column indicates a strong inverse log-linear relationship between $w_s$ and OA viscosity with a correlation coefficient approaching 1, in the background and biomass burning-influenced conditions. At high altitudes where relative humidity (RH) and temperatures are low, our simulations indicate that OA exists in a semisolid-/solid-like phase state, consistent with previous studies. OA hygroscopicity is strongly correlated (ca. –0.8) with OA viscosity at RH ca. 30–50%, but this RH range is found mostly at low OA concentrations and the middle troposphere (ca. 6–10 km altitudes) in our simulated domain. OA hygroscopicity is uncorrelated with viscosity at higher-RH (near surface) and lower-RH (upper troposphere) regimes. At the urban site near surface, where day–night differences in RH are significant, RH is found to drive the phase state. At the background forested site near surface, where day–night RH differences are small, biomass burning-influenced OA is semisolid and a significant OA associated with background conditions is liquid-like. Simulations indicate a long tail of OA viscosity frequency distributions extending in the semisolid/solid regimes over background biogenic-influenced conditions due to the role of low-volatility OA components such as monoterpene oxidation products.

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

Structure–activity relationship-based chemical classification of highly imbalanced Tox21 datasets

Abstract The specificity of toxicant-target biomolecule interactions lends to the very imbalanced nature of many toxicity datasets, causing poor performance in Structure–Activity Relationship (SAR)-based chemical classification. Undersampling and oversampling are representative techniques for handling such an imbalance challenge. However, removing inactive chemical compound instances from the majority class using an undersampling technique can result in information loss, whereas increasing active toxicant instances in the minority class by interpolation tends to introduce artificial minority instances that often cross into the majority class space, giving rise to class overlapping and a higher false prediction rate. In this study, in order to improve the prediction accuracy of imbalanced learning, we employed SMOTEENN, a combination of Synthetic Minority Over-sampling Technique (SMOTE) and Edited Nearest Neighbor (ENN) algorithms, to oversample the minority class by creating synthetic samples, followed by cleaning the mislabeled instances. We chose the highly imbalanced Tox21 dataset, which consisted of 12 in vitro bioassays for > 10,000 chemicals that were distributed unevenly between binary classes. With Random Forest (RF) as the base classifier and bagging as the ensemble strategy, we applied four hybrid learning methods, i.e., RF without imbalance handling (RF), RF with Random Undersampling (RUS), RF with SMOTE (SMO), and RF with SMOTEENN (SMN). The performance of the four learning methods was compared using nine evaluation metrics, among which F 1 score, Matthews correlation coefficient and Brier score provided a more consistent assessment of the overall performance across the 12 datasets. The Friedman’s aligned ranks test and the subsequent Bergmann-Hommel post hoc test showed that SMN significantly outperformed the other three methods. We also found that a strong negative correlation existed between the prediction accuracy and the imbalance ratio (IR), which is defined as the number of inactive compounds divided by the number of active compounds. SMN became less effective when IR exceeded a certain threshold (e.g., > 28). The ability to separate the few active compounds from the vast amounts of inactive ones is of great importance in computational toxicology. This work demonstrates that the performance of SAR-based, imbalanced chemical toxicity classification can be significantly improved through the use of data rebalancing.

Idakwo, Gabriel↗
DOE OSTI2025

Temporal Forecasting of Distributed Temperature Sensing in a Thermal Hydraulic System With Machine Learning and Statistical Models

We benchmark performance of long-short term memory (LSTM) network machine learning model and autoregressive integrated moving average (ARIMA) statistical model in temporal forecasting of distributed temperature sensing (DTS). Data in this study consists of fluid temperature transient measured with two co-located Rayleigh scattering fiber optic sensors (FOS) in a forced convection mixing zone of a thermal tee. We treat each gauge of a FOS as an independent temperature sensor. We first study prediction of DTS time series using Vanilla LSTM and ARIMA models trained on prior history of the same FOS that is used for testing. The results yield maximum absolute percentage error (MaxAPE) and root mean squared percentage error (RMSPE) of 1.58% and 0.06% for ARIMA, and 3.14% and 0.44% for LSTM, respectively. Next, we investigate zero-shot forecasting (ZSF) with LSTM and ARIMA trained on history of the co-located FOS only, which is advantageous when limited training data is available. The ZSF MaxAPE and RMSPE values for ARIMA are comparable to those of the Vanilla use case, while the error values for LSTM increase. We show that in ZSF, performance of LSTM network can be improved by training on most correlated gauges between the two FOS, which are identified by calculating the Pearson correlation coefficient. The improved ZSF MaxAPE and RMSPE for LSTM are 4.4% and 0.33%, respectively. Performance of ZSF LSTM can be further enhanced through transfer learning (TL), where LSTM is re-trained on a subset of the FOS that is the target of forecasting. We show that LSTM pre-trained on correlated dataset and re-trained on 30% of testing target dataset achieves MaxAPE and RMSPE values of 2.32% and 0.28%, respectively.

ARIMA↗
DOE OSTI2022

Monitoring of Temperature Measurements for Different Flow Regimes in Water and Galinstan with Long Short-Term Memory Networks and Transfer Learning of Sensors

Temperature sensing is one of the most common measurements of a nuclear reactor monitoring system. The coolant fluid flow in a reactor core depends on the reactor power state. We investigated the monitoring and estimation of the thermocouple time series using machine learning for a range of flow regimes. Measurement data were obtained, in two separate experiments, in a flow loop filled with water and with liquid metal Galinstan. We developed long short-term memory (LSTM) recurrent neural networks (RNNs) for sensor predictions by training on the sensor’s own prior history, and transfer learning LSTM (TL-LSTM) by training on a correlated sensor’s prior history. Sensor cross-correlations were identified by calculating the Pearson correlation coefficient of the time series. The accuracy of LSTM and TL-LSTM predictions of temperature was studied as a function of Reynolds number (Re). The root-mean-square error (RMSE) for the test segment of time series of each sensor was shown to linearly increase with Re for both water and Galinstan fluids. Using linear correlations, we estimated the range of values of Re for which RMSE is smaller than the thermocouple measurement uncertainty. For both water and Galinstan fluids, we showed that both LSTM and TL-LSTM provide reliable estimations of temperature for typical flow regimes in a nuclear reactor. The LSTM runtime was shown to be substantially smaller than the data acquisition rate, which allows for performing estimation and validation of sensor measurements in real time.

Pantopoulou, Stella↗
DOE OSTI2022

Improvement of aerosol optical depth data for localized solar resource assessment

Solar irradiance, especially for direct normal irradiance (DNI), is sensitive to the atmospheric aerosols, which can strongly extinguish DNI over areas with elevated aerosol loadings. The National Solar Radiation Database (NSRDB), developed by the National Renewable Energy Laboratory (NREL), uses AOD from MERRA-2 reanalysis and is further downscaled from 0.5° to 2-km based on elevation. However, the elevation-based downscaling may not accurately represent AOD, especially over the areas with large AOD gradients. This study examined whether the 1-km MODIS MAIAC satellite-retrieved AOD product can better represent the AOD distribution and be used to improve solar irradiance assessment. We focused on areas with relatively high AOD over North America (California, and New York City, US, and Mexico City in Mexico, in particular). The evaluation of MAIAC AOD and MERRA-2 AOD against ground-truth AERONET AOD shows that MAIAC AOD exhibits smaller RMSE by about 0.05 and higher correlation coefficient by 0.1-0.6 than MERRA-2 AOD. In addition, MERRA-2 AOD shows larger negative bias. The simulated DNI using MAIAC AOD (DNIMAIAC) and using MERRA-2 AOD (DNINSRDB) were evaluated with DNI observations. The results show the performance of DNIMAIAC is better than that of DNINSRDB with smaller RMSE by 0.5-1.5%, smaller positive mean bias by 0.8-3.1% and comparable correlation for the 3 sites analyzed. Overall, 1-km MAIAC AOD shows higher accuracy than 2-km elevation-based MERRA-2 AOD, leading to better performance of the simulated DNI using MAIAC AOD. Therefore, 1-km MAIAC AOD can be used to improve the accuracy of solar resource assessment.

14 SOLAR ENERGY↗
DOE OSTI2021

Comparative Assessment of Data-driven Process Models in Health Information Technology

Process mining for conformance analysis consists of comparing a reference process model against a data-driven process model generated via log files from information technology systems. However, in the absence of a complete reference process model, we found no suggested approaches in the literature to address the need for evaluating process conformance among different healthcare facilities to assess standardization of care. Our goal is to find similarities and dissimilarities in data-driven process models among US Veterans Health Administration (VHA) facilities that can be indicative of patient safety issues. Our hypothesis was that the analysis would not produce statistically significant differences in outcome. We present a unique implementation of conformance analysis in process mining that consists of combining process mining, process mapping and statistical metrics. We illustrate our approach by applying it to the analysis of two clinical radiology order process models generated from healthcare data provided by two similar facilities in the VHA. The comparative assessment showed that about 70% of the orders completed successfully and 30% were not completed due to policy and duplications. Our analysis found a good statistical correlation between both facilities, as the Spearman’s correlation coefficient between facilities for the frequency of cases per total hours was 0.87879, for the frequency of cases by state transition was 0.79702 and for the throughput time per state transition was 0.63582. Additional statistical analyses using the Mann-Whitney U test and the root mean square error both produced values that were not significant. The foregoing approach validated our hypothesis by demonstrating a good statistical correlation of data describing the flow of clinical radiology orders absent a credible reference model. Finding good agreement between both facilities was important in confirming that the clinical orders flow in a similar manner, suggesting standardization of care.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

FY22 Progress on Computational Modeling of the Water-Based NSTF

This report summarizes the system-level modeling effort by Argonne National Laboratory (Argonne) of the Natural convection Shutdown heat removal Test Facility (NSTF) in FY22. As an extension of the effort from FY21, this year’s work focuses primarily on the two-phase modeling of the NSTF using RELAP5-3D, particularly with the inclusion of the cavity model. The results from simulations were used to compare against experimental data for benchmarking purposes of the RELAP5 deck. Additionally, RELAP5 was used as a predictive tool to guide planned test operations and identify expected system behaviors. In the first part of this report, details are provided of the cavity omitted model where heat flux is applied directly as a boundary condition to the risers. The general trend predicted by the RELAP5 model matches that from the experimental data when a single-phase natural circulation flow is first established, followed by an oscillatory two-phase period and finally a stable two-phase flow. However, the onset of oscillations is predicted early by the model due to the smaller thermal mixing region in the tank. However, by expanding the simulated thermal mixing region in the tank, the onset of oscillations predicted by the model is able to match that from the experiment. These oscillations where studied in depth and are deduced to be flashing-induced instability. The model was then modified to simulate an accident scenario case where a representative heat load based on the full-scale Framatome’s 625 MW t SC-HTGR was applied directly to the riser channels. The simulated initial and boundary conditions were identical to those performed experimentally, facilitating direct comparisons between the predicted and experimental results. It was determined that the results showed some discrepancies remain, likely due to the overprediction of vapor generation rate by the computer model. In the second part of this report, the cavity model is re-introduced where it is observed that the RELAP5 prediction is now able to capture the major trends of the observed flow commonly observed during two-phase conditions. However, the onset of oscillations is once again predicted early by the model, possibly caused by the underprediction of heat loss from the heater and cavity. This is likely due to the omission of support structures in the cavity that can act as additional pathways for heat to escape to the environment. To overcome the underprediction of heat loss, part of the insulation surrounding the cavity side panels and the back of the heaters are removed to allow heat to escape directly to the environment, which then improves the RELAP5 prediction. Parametric studies are also performed to investigate the effects of heater power, tank inventory level, and tank gas space pressure on flow behaviors, also in direct comparison to conditions tested experimentally. User option-61 in the RELAP5-3D input deck, which changes the heat transfer coefficient correlations used for calculating the vapor generation, is also investigated where it is found that by enabling the option, the overall duration of oscillations is increased and matches that from the experiment better. The RELAP5 model is further benchmarked with a header inlet- throttling case where it is observed that the prediction from the model fails to capture some major features observed in the experiment. By using a modified loss coefficient curve for the valve, the accuracy of the prediction is improved where most of the major features observed in the experiment are predicted by the model. Lastly, the model is benchmarked with an inventory depletion scenario where it is observed that despite the modeling limitation of RELAP5, the prediction shows good agreement with the experimental data where major trends and features are captured by the model. Future work will see continued development of the current RELAP5-3D input deck of the NSTF to both improve the accuracy of the model’s predictive capability and continuing serving the experimental program. The mutually beneficial relationship between analysis and experimental efforts has become integral to the parent NSTF program, and the greater objective to fully understand and accurately predict the heat removal performance of a full scale RCCS concept.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Scalable Parallel Measurement of Individual Nitrogen-Vacancy Centers

The nitrogen-vacancy (NV) center in diamond is a solid-state spin defect that has been widely adopted for quantum sensing and quantum information processing applications. Typically, experiments are performed either with a single isolated NV center or with an unresolved ensemble of many NV centers, resulting in a trade-off between measurement speed and spatial resolution or control over individual defects. In this work, we introduce an experimental platform that bypasses this trade-off by addressing multiple optically resolved NV centers in parallel. We perform charge- and spin-state manipulations selectively on multiple NV centers from within a larger set, and we manipulate and measure the electronic spin states of over 100 NV centers in parallel. We show that the high signal-to-noise ratio of the measurements enables the detection of shot-to-shot pairwise correlations between the spin states of 108 NV centers, corresponding to the simultaneous measurement of 5778 unique correlation coefficients. We discuss how our platform can be scaled to parallel experiments with thousands of individually resolved NV centers. These results enable parallelized high-throughput sensing experiments that retain the spatial resolution of single defects and will, thereby, help to unlock advances in applications such as single-molecule NMR and characterization of integrated circuits. In addition, our approach to multiplexing provides a natural platform for the application of recently developed correlated sensing techniques.

NV centers↗