Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Data gaps”

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.

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

At least 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

State-of-the-art and review of condensation heat transfer for small modular reactor passive safety: Experimental studies

Here this study focused on state-of-the-art and review of condensation heat transfer for small modular reactors (SMR). Nuclear reactors adopt passive containment cooling systems (PCCS) for accident mitigation, containment integrity, and primarily to maintain the last barrier for radioactive particle release to the environment during and beyond design-basis accidents. However, improving the effectiveness of the PCCS is more critical for the SMR than for commercial reactors to ensure higher safety margins and compactness. In the PCCS of SMR, due to its smaller size containment, the filmwise condensation (FWC) is dominant. Therefore, this study emphasized the FWC. Earlier condensation studies for the PCCS did not make SMR the primary focus, so a critical review for formulating the state-of-the-art was necessary. Part-1 of this study covered the review of physics phenomena, previous experimental studies with a brief overview of associated test facilities and empirical correlations. This study identified a research gap with the condensation test data scaling relations by using the information and findings of the previous PCCS studies and applied them to the SMR system.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Synthesis and thermophysical property determination of NaCl-PuCl3 salts

Currently, a knowledge gap exists in the available data and understanding of thermophysical properties relating to fresh fuel salts, especially those containing plutonium. These data are necessary for designing, constructing, and licensing future commercial molten-salt reactors. Thermophysical properties, such as melting temperature, salt stability, density, and heat capacity were ascertained using NaCl-PuCl3 (36 mol% PuCl3) and a more sodium rich composition containing 25 mol% PuCl3. The NaCl-PuCl3 salt mixture was synthesized for this study and contained 63.4 mol% NaCl, 36.3 mol% PuCl3 and was 99.7% pure. Upon heating, the NaCl–PuCl3 eutectic was stable at temperatures up to 800 °C. The onset of melting occurred at 451 ± 3 °C, and the enthalpy of fusion was determined to be 23.0 ± 1.4 kJ/mol. Heat capacity measurements in the liquid phase ranged from 107.7 to 91.3 J/mol.K, with an average value of 104.6 ± 11.4 J/mol.K between 500 and 650 °C. Three independent trials of the molten NaCl-PuCl3 salt found the density to be ?(T) = 3.8589 – 9.5342·10-4 T(°C). In addition, ab initio molecular dynamic simulations to calculate density and heat capacity values are included.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Scanning tunneling spectroscopy of surface-oxidized Gallium-stabilized δ -phase plutonium

Here, the first contiguous experimental scanning tunneling spectroscopy (STS) measurements of the electronic structure of a plutonium (Pu) surface are presented and compared to current theoretical results. The experiments took place under UHV conditions, for which Pu is known to retain a native surface oxide. The STS data shows that no band gap is observable at room temperature. Theoretical calculations predict that bulk Pu oxides are semiconductors, but the spectral results for the cleaned Pu surface native oxide under UHV conditions could be better characterized as that of a semimetal.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Linear Discriminant Analysis-Based Machine Learning and All-Atom Molecular Dynamics Simulations for Probing Electro-Osmotic Transport in Cationic-Polyelectrolyte-Brush-Grafted Nanochannels

Deciphering the correct mechanisms governing certain phenomena in polyelectrolyte (PE) brush grafted systems, revealed through atomistic simulations, is an extremely challenging problem. In a recent study, our all-atom molecular dynamics (MD) simulations revealed a non-linearly large electroosmotic (EOS) flow (in the presence of an applied electric field) in nanochannels grafted with PMETAC [Poly(2-(methacryloyloxy)ethyl trimethylammonium chloride] brushes. Given the lack of any formal procedure that would have directed us to identify the correct factors responsible for such an occurrence, we needed to spend several months and devote significant analyses to unravel the involved mechanisms. In this paper, we propose a Linear Discriminant Analysis (LDA) based Machine Learning (ML) approach to address this gap. At first, we obtain data on certain basic features from the all-atom MD data. These basic features represent the number of atoms of certain species around one atom of another (or same) species. Here, we obtain such data on basic features for a reference case (case of an EOS flow in PMETAC-brush-grafted nanochannels with a smaller electric field) and a perturbed case (case of an EOS flow in PMETAC-brush-grafted nanochannels with a larger electric field) in bins in which the nanochannel half height has been divided into. These datasets are high-dimensional dataset, to which the LDA is applied. This leads to the projection of the data (between the reference and the perturbed states) in a highly separated form on a 1D line. From such LDA calculations, we are able to identify the relative importance of the different basic features in ensuring this separation of the data (between the reference and the perturbed states) on the 1D line. This relative importance of the different basic features is quantified as “importance scores” for the different features, which in turn tell us what to study and where to study. Such knowledge enables us to rapidly identify the key factors responsible for the non-linearly large EOS transport in PMETAC-brush-grafted nanochannels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Interplay between Mixed and Pure Exciton States Controls Singlet Fission in Rubrene Single Crystals

Singlet fission (SF) is a multielectron process in which one singlet exciton S converts into a pair of separated triplet excitons T. SF is widely studied as it may help overcome the Shockley−Queisser efficiency limit for semiconductor photovoltaic cells. To elucidate and control the SF mechanism, great attention has been given to the identification of intermediate states in SF materials, which often appear elusive due to the complexity and fast time scales of the SF process. Here, we apply 14 fs-1 ms transient absorption techniques to high-purity rubrene single crystals to disentangle the intrinsic fission dynamics from the effects of defects and grain boundaries and to identify reliably the fission intermediates. Our data demonstrates that above-gap excitation directly generates a hybrid vibronically assisted mixture of singlet state and triplet-pair multiexciton [S/TT], which rapidly (<100 fs) and coherently branches into pure singlet or triplet excitations. The relaxation of [S/TT] to S is followed by a relatively slow and temperature-activated (48 meV activation energy) incoherent fission process. The SF competing pathways and intermediates revealed here unify the observations and models presented in previous studies of SF in rubrene and offer alternative strategies for the development of SF-enhanced photovoltaic materials.

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

The FLUXNET2015 dataset and the ONEFlux processing pipeline for eddy covariance data

The FLUXNET2015 dataset provides ecosystem-scale data on CO2, water, and energy exchange between the biosphere and the atmosphere, and other meteorological and biological measurements, from 212 sites around the globe (over 1500 site-years, up to and including year 2014). These sites, independently managed and operated, voluntarily contributed their data to create global datasets. Data were quality controlled and processed using uniform methods, to improve consistency and intercomparability across sites. The dataset is already being used in a number of applications, including ecophysiology studies, remote sensing studies, and development of ecosystem and Earth system models. FLUXNET2015 includes derived-data products, such as gap-filled time series, ecosystem respiration and photosynthetic uptake estimates, estimation of uncertainties, and metadata about the measurements, presented for the first time in this paper. In addition, 206 of these sites are for the first time distributed under a Creative Commons (CC-BY 4.0) license. This paper details this enhanced dataset and the processing methods, now made available as open-source codes, making the dataset more accessible, transparent, and reproducible.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2023

Machine learning interatomic potential for silicon-nitride (Si 3 N 4 ) by active learning

Silicon nitride (Si 3 N 4 ) is an extensively used material in the automotive, aerospace, and semiconductor industries. However, its widespread use is in contrast to the scarce availability of reliable interatomic potentials that can be employed to study various aspects of this material on an atomistic scale, particularly its amorphous phase. In this work, we developed a machine learning interatomic potential, using an efficient active learning technique, combined with the Gaussian approximation potential (GAP) method. Our strategy is based on using an inexpensive empirical potential to generate an initial dataset of atomic configurations, for which energies and forces were recalculated with density functional theory (DFT); thereafter, a GAP was trained on these data and an iterative re-training algorithm was used to improve it by learning on-the-fly. When compared to DFT, our potential yielded a mean absolute error of 8 meV/atom in energy calculations for a variety of liquid and amorphous structures and a speed-up of molecular dynamics simulations by 3–4 orders of magnitude, while achieving a first-rate agreement with experimental results. Our potential is publicly available in an open-access repository.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Biochemical and structural analyses reveal that the tumor suppressor neurofibromin (NF1) forms a high-affinity dimer

Neurofibromin is a tumor suppressor encoded by the NF1 gene, which is mutated in Rasopathy disease neurofibromatosis type I. Defects in NF1 lead to aberrant signaling through the RAS–mitogen-activated protein kinase pathway due to disruption of the neurofibromin GTPase-activating function on RAS family small GTPases. Very little is known about the function of most of the neurofibromin protein; to date, biochemical and structural data exist only for its GAP domain and a region containing a Sec-PH motif. To better understand the role of this large protein, here we carried out a series of biochemical and biophysical experiments, including size-exclusion chromatography–multiangle light scattering (SEC-MALS), small-angle X-ray and neutron scattering, and analytical ultracentrifugation, indicating that full-length neurofibromin forms a high-affinity dimer. We observed that neurofibromin dimerization also occurs in human cells and likely has biological and clinical implications. Analysis of purified full-length and truncated neurofibromin variants by negative-stain EM revealed the overall architecture of the dimer and predicted the potential interactions that contribute to the dimer interface. We could reconstitute structures resembling high-affinity full-length dimers by mixing N- and C-terminal protein domains in vitro. The reconstituted neurofibromin was capable of GTPase activation in vitro, and co-expression of the two domains in human cells effectively recapitulated the activity of full-length neurofibromin. Taken together, these results suggest how neurofibromin dimers might form and be stabilized within the cell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

$\mathrm{EBR-II MOX}$ Fuel Characterization Enabling ARES Phase I Testing

Pretransient characterization was performed for the Experimental Breeder Reactor II (EBR-II) mixed-oxide (MOX) fuel pellets from the SPA-2/-2B Operational Reliability Testing collaboration between Japan and the United States. Continued collaboration under the Advanced Reactor Experiments for Sodium Fast Reactor Fuels project will investigate the transient performance of these rods in the Transient Reactor Test facility at Idaho National Laboratory in the MOXTOP-THOR experiment. The results will fill a gap in existing transient performance data for MOX as these rods have a peak burnup of 14.3 at. % (~134.4 GWd/t) in the EBR-II. Fuel pellet properties were gathered from available resources and their irradiation and decay history evaluated. Further reactor physics calculations were performed to support the experiment design, reactor operations, and safety analyses necessary to enable the programmatic success of this effort. Of the three irradiated fuel pins, two will undergo transient testing, and all three will undergo post-irradiation examination. The methodology development and analysis activities utilized we report enable current experiment design work and provide the pathway through which measured data of this type can be further evaluated.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Re-examining urban rainfall enhancement over North America

Abstract Quantifying intensification/suppression of precipitation over urban areas relative to their rural surroundings can inform efforts to reduce urban flooding. Few studies have systematically addressed whether urban areas exhibit a higher/lower probability of precipitation and/or higher/lower annual total precipitation and/or intensification/weakening of intense precipitation events relative to nearby rural areas across a range of hydroclimatic conditions and urban contexts. Here we address this literature gap using the IMERG V07 data set and analyses of rural and urban samples drawn from 47 conurbations across North America. Specifically, we quantify whether/how precipitation regimes over the urban grid cells differ from those in rural grid cells located 100–250 km from the city center and at a similar elevation. As in previous research, there is evidence that both the probability of precipitation and annual total precipitation are typically higher in the urban grid cells. However, most conurbations have lower upper percentile precipitation rates in the urban sample and lower median precipitation rates above the 95th percentile than are present in samples drawn from rural grid cells. Thus, these conurbations are not, on average, intensifying high-magnitude precipitation events over urban grid cells. Further, the total volume of water accumulated at the surface during events of equivalent duration is not systematically higher over the urban areas, and 20 year return period values of 30 min and wettest pentad precipitation are also not systematically higher over the urban areas. The nature of urban modification of precipitation is a strong function of the prevailing hydroclimate. For example, the heaviest rainfall periods are enhanced over urban grid cells within regional hydroclimates where the overall probability of precipitation and annual total precipitation are low. Conversely, there is evidence for urban suppression of the highest percentile precipitation rates in wetter hydroclimates.

Pryor, Sara C. (ORCID:0000000348473440)↗
DOE OSTI2023

Measurement of the 238 U( n,f ) prompt fission neutron spectrum from 10 keV to 10 MeV induced by neutrons with 1.5–20 MeV energy

With the recent emergence of fast nuclear reactors, there has been a corresponding increasing interest in 238 U-related nuclear data. However, while existing literature data span much of the energy ranges of interest for the prompt fission neutron spectrum (PFNS) for neutron-induced fission of 238U, most literature data sets are highly correlated, and thus new, independent measurements of this quantity are needed. In this work, we report the results of a new measurement of the 238 U PFNS at the Los Alamos Neutron Science Center for incident neutron energies from 1.5–20.0 MeV, and outgoing neutron energies of 0.01–10.0 MeV. With some notable exceptions, the present results generally agree with existing literature data, especially with regard to features relating to multichance fission and pre-equilibrium features in the PFNS, thus adding confidence to existing nuclear data evaluations and filling in gaps of knowledge at previously unmeasured incident neutron energies. This result is the third in a series of PFNS measurements by the Chi-Nu collaboration now spanning all three major actinides, 239 Pu, 235 U, and 238 U. Thus, for the first time, we report reliable experimental PFNS ratios and average PFNS energy comparisons for measurements of all three of these isotopes including accurate correlations between the different, but correlated experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

EPWgen (EPW generator) [SWR-26-017]

EPWgen fetches hourly station observations (NOAA/Meteostat), fills gaps with MERRA2 reanalysis, merges data, and writes EPW files with computed headers (HDD/CDD, ground temperatures). It also runs QC checks, supports CSV-driven batch and metered-variable exports, and provides a PyQt5 GUI with mapping and progress tracking for single/multi-year workflows.

Bianchi, Carlo [National Laboratory of the Rockies↗
DOE OSTI2025

An open-access simulated earthquake ground-motion database for an M7 Hayward Fault earthquake in the San Francisco Bay Region

Comprehensive understanding of earthquake ground motions, particularly in the near-fault region of large-magnitude events, is limited by gaps in strong-motion data. This challenge is prominent in areas with high seismic hazard but infrequent large earthquakes where data is sparse and difficult to interpret. These data limitations lead to uncertainties in the development of site-specific ground motions, which are crucial for engineering risk assessments. To address these challenges, physics-based regional-scale ground-motion simulations have been developed. With the emergence of exaflop-scale computing ecosystems, it is now possible to simulate regional earthquake processes at unprecedented fidelity and generate the large number of fault rupture realizations necessary to characterize both intra- and inter-event ground-motion variability. This article introduces a new database of simulated earthquake ground motions, created for applications in earthquake engineering, earthquake planning, and emergency response. The inaugural version of the database features simulated ground motions for a magnitude 7 Hayward Fault earthquake in the San Francisco Bay Region (SFBR), using the EarthQuake SIMulation (EQSIM) simulation framework and the Graves–Pitarka kinematic rupture model. The aim is to provide high-fidelity, spatially dense, three-component motions generated on the Department of Energy’s (DOE) newest generation of graphics processing unit (GPU)-accelerated supercomputers. These motions are being made openly available to the engineering, scientific, and disaster planning communities. In addition, this work develops protocols for the efficient dissemination of these large data sets and emphasizes community engagement to build confidence in their application. This article discusses the methodology behind the data, underlying software verification and validation, scalable data management, and a user interface for data access. The goal is to facilitate widespread use and elicit expert feedback to maximize the utility and exploitation of simulated motions. While the initial focus is on the San Francisco Region, simulations for additional regions will be added as the DOE program progresses.

Simulated ground-motion database↗
DOE OSTI2023

Genetic identification of avian samples recovered from solar energy installations

Renewable energy production and development will drastically affect how we meet global energy demands, while simultaneously reducing the impact of climate change. Although the possible effects of renewable energy production (mainly from solar- and wind-energy facilities) on wildlife have been explored, knowledge gaps still exist, and collecting data from wildlife remains (when negative interactions occur) at energy installations can act as a first step regarding the study of species and communities interacting with facilities. In the case of avian species, samples can be collected relatively easily (as compared to other sampling methods), but may only be able to be identified when morphological characteristics are diagnostic for a species. Therefore, many samples that appear as partial remains, or “feather spots”—known to be of avian origin but not readily assignable to species via morphology—may remain unidentified, reducing the efficiency of sample collection and the accuracy of patterns observed. To obtain data from these samples and ensure their identification and inclusion in subsequent analyses, we applied, for the first time, a DNA barcoding approach that uses mitochondrial genetic data to identify unknown avian samples collected at solar facilities to species. We also verified and compared identifications obtained by our genetic method to traditional morphological identifications using a blind test, and discuss discrepancies observed. Our results suggest that this genetic tool can be used to verify, correct, and supplement identifications made in the field and can produce data that allow accurate comparisons of avian interactions across facilities, locations, or technology types. We recommend implementing this genetic approach to ensure that unknown samples collected are efficiently identified and contribute to a better understanding of wildlife impacts at renewable energy projects.

14 SOLAR ENERGY↗
DOE OSTI2023

Survey of Uranium Nitride and Mixed Oxide Fuels for Microreactor Applications

Different fuel systems are being proposed for use in microreactors including TRISO fuel and metallic U-Zr based fuel. TRISO fuel is considered the main fuel option for most of the industry teams. Given the need for compact size core and potential for long fuel life of a microreactor, high density fuels such as metallic and nitride fuels are potential options. Of interest here is the uranium nitride (UN) option, which can allow for higher fissile material content and higher thermal conductivity compared to conventional uranium oxide fuel, and also has higher melting temperature compared to metallic fuel. Meanwhile, the current availability is limited for high assay low enriched uranium (HALEU) that is needed for high density fuels, which motivates the consideration of using Pu as a potential replacement for HALEU until adequate production capacity is in place. Current Pu availability is mainly attributed to the inventory of excess weapons Pu rather than through reprocessing of spent nuclear fuel. This inventory of excess Pu can be used in both metallic and oxide fuel systems to replace HALEU. Of interest here, the oxide form, that is the mixed oxide form of PuO 2 and UO 2 (MOX). In this report, the options of using UN or MOX, in both pellet and TRISO fuel forms, in microreactors are evaluated in relation to their properties, fuel performance and irradiation data, as well as fabrication. Gaps related to those areas are identified for both fuel systems, to guide future activities by DOE programs such as the advanced fuels campaign (AFC), to enable their use in microreactors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Uncertainties in ICARUS

This paper explores the challenges in neutrino detection and emphasizes the importance of understanding the ICARUS neutrino detector. It delves into the use of cosmic rays to bridge the gap between experimental and theoretical data, offering insights into the behavior of different components of neutrino detectors. This procedure sheds light on the intricate aspects of cosmic ray detection in ICARUS, contributing to an increased understanding of how this detector's uncertainties operate. More can be learned about neutrino physics in future experiments through this understanding.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Oklo Sponsored Testing using PELICAN: System, Subchannel, and High-Fidelity Software Validation (Final CRADA Report)

Argonne National Laboratory (the Contractor), located in Lemont IL, and Oklo, Inc., (the Participant), headquartered in Santa Clara, CA, propose to enter into a Cooperative Research and Development Agreement (CRADA) to perform a gap analysis of thermal hydraulic data, perform prototypical fuel assembly pressure drop and cavitation model validation, generate the experimental data as well as the corresponding uncertainties for this matrix and, finally, develop the validation models with the Argonne system level code SAS4A/SASSYS-1, the Argonne subchannel analysis code DASSH, the Argonne high fidelity code Nek5000, and/or the Idaho National Laboratory code Pronghorn Subchannel. The work outlined below will significantly improve the experimental and validation database currently available for liquid metal fast reactors, thus making it a viable part of a comprehensive reactor design and licensing suite to be used by the participant.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Elucidating Processes Controlling Arctic Atmospheric Aerosol Sources, Aging, and Mixing States (Final Report)

Atmospheric aerosols play critical roles in the Earth’s energy budget, directly by scattering or absorbing solar and terrestrial radiation and indirectly by serving as seeds (nuclei) for cloud droplet and ice crystal formation and by depositing on snow and ice surface, thereby changing the surface albedo. These effects are dependent on aerosol particle size and chemical composition and impact the hydrological cycle as well. This project provided single-particle size and chemical composition measurements across the entire annual cycle in the high Arctic and in the Alaskan Arctic during fall – winter, addressing the most significant gaps in Arctic aerosol observational data. These needs were based on recent rapid sea ice loss across the entire Arctic, as well as the major annual delays in sea ice freeze-up during fall in the Chukchi Sea and increased wintertime sea ice fracturing in the Beaufort Sea, both off the North Slope of Alaska. Two DOE Atmospheric Radiation Measurement (ARM) field campaigns were conducted for atmospheric aerosol sampling. The Aerosols during the Polar Utqiagvik Night (APUN – ‘snow on ground’ in Iñupiaq) ARM field campaign at Utqagivik, Alaska was conducted from Oct. 28 – Dec. 22, 2018. Aerosol sizing instrumentation and a single-particle mass spectrometer were successfully deployed for size-resolved number concentration measurements and measurements of individual particle size and chemical composition, respectively. These results show the influence of locally-produced sea spray aerosol, with high cloud-forming potential, due to delayed sea ice freeze-up in the fall. During the 2019‐2020 international Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition, daily atmospheric aerosol particles were collected aboard the German icebreaker Polarstern in the Central Arctic from Nov. 2019 – Oct. 2020. Sea salt aerosol and marine organics were observed year-round during MOSAiC with varying morphologies and sources. These findings are important because most Arctic models do not include a sea spray aerosol source, despite this source increasing with declining sea ice extent. In addition to collecting new samples and data, this project also conducted further analysis of previously collected single-particle chemical composition measurements within the North Slope of Alaska oil fields and at Utqiaġvik, AK, during Aug. – Sep. 2015 and 2016 field campaigns. This work resulted in the discovery of chemical reactions of oil field combustion emissions occurring within fog droplets across the North Slope of Alaska and forming secondary aerosol, showing the impact of Arctic oil field emissions beyond black carbon aerosol and greenhouse gases. In addition, the distribution of chemical species across the aerosol population within the oil fields was quantified, using these data and a previously development framework. We also presented the first ambient evidence of the collision of two atmospheric particles resulting in formation of an organic-coated ammonium sulfate particle of marine origin, which has implications for cloud formation with declining sea ice extent. Overall, this project has elucidated connections between seawater biogeochemistry, resource extraction activities, atmospheric composition, clouds, and the energy budget of the Arctic region. The results of this project are expected to improve weather and sea ice forecasting for security and development in the Arctic and beyond.

54 ENVIRONMENTAL SCIENCES↗