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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Neutrino astrophysics in slowly rotating spacetimes permeated by nonlinear electrodynamics fields

Many theoretical and astrophysical arguments involve consideration of the effects of super strong electromagnetic fields and the rotation during the late stages of core-collapse supernovae. In what follows, we solve Einstein field equations that are minimally coupled to an arbitrary (current-free) Born–Infeld nonlinear Lagrangian L(F,G) of electrodynamics (NLED) in the slow rotation regime a ≪ r{sub +} (outer horizon size), up to first order in a/r. We cross-check the physical properties of such NLED spacetime w.r.t. against the Maxwell one. A study case on both neutrino flavor (ν{sub e}→ν{sub μ},ν{sub τ}) oscillations and flavor+helicity (spin) flip (ν{sub e}→ ν-bar {sub μ,τ}) gyroscopic precession proves that in the spacetime of a slowly rotating nonlinear charged black hole (RNCBH), the neutrino dynamics translates into a positive enhancement of the r-process (reduction of the electron fraction Y{sub e} < 0.5). Consequently, it guarantees successful hyperluminous core-collapse supernova explosions due to the enlargement of the number and amount of decaying nuclide species. This posits that, as far as the whole luminosity is concerned, hypernovae will be a proof of the formation of astrophysical RNCBH.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2001

Collection of LAI and FPAR Data Over The Terra Core Sites

The objective of our effort was to collect and archive data on LAI (leaf area index) and FPAR (Fraction of Photosynthetically active Radiation absorbed by vegetation) at the EOS Core validation sites as well as to validate and evaluate global fields of LAI and FPAR derived from atmospherically corrected MODIS (Moderate Resolution Imaging Spectrometer) surface reflectance data by comparing these fields with the EOS Core validation data set. The above has been accomplished by: (a) the participation in selected field campaigns within the EOS Validation Program; (b) the processing of the collected data so that suitable comparison between field measurements and the MODIS LAI/FPAR fields can be made; (c) the comparison of the MODAS LAI/FRAM fields with the EOS Terra Core validation data set.

Myneni, Ranga B.↗
DOE OSTI2025

Real-time data processing for serial crystallography experiments

We report the use of streaming data interfaces to perform fully online data processing for serial crystallography experiments, without storing intermediate data on disk. The system produces Bragg reflection intensity measurements suitable for scaling and merging, with a latency of less than 1 s per frame. Our system uses the CrystFEL software in combination with the ASAP::O data framework. In a series of user experiments at PETRA III, frames from a 16 megapixel Dectris EIGER2 X detector were searched for peaks, indexed and integrated at the maximum full-frame readout speed of 133 frames per second. The computational resources required depend on various factors, most significantly the fraction of non-blank frames ('hits'). The average single-thread processing time per frame was 242 ms for blank frames and 455 ms for hits, meaning that a single 96-core computing node was sufficient to keep up with the data, with ample headroom for unexpected throughput reductions. Further significant improvements are expected, for example by binning pixel intensities together to reduce the pixel count. We discuss the implications of real-time data processing on the `data deluge' problem from recent and future photon-science experiments, in particular on calibration requirements, computing access patterns and the need for the preservation of raw data.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Integrated edge-to-exascale workflow for real-time steering in neutron scattering experiments

We introduce a computational framework that integrates artificial intelligence (AI), machine learning, and high-performance computing to enable real-time steering of neutron scattering experiments using an edge-to-exascale workflow. Focusing on time-of-flight neutron event data at the Spallation Neutron Source, our approach combines temporal processing of four-dimensional neutron event data with predictive modeling for multidimensional crystallography. At the core of this workflow is the Temporal Fusion Transformer model, which provides voxel-level precision in predicting 3D neutron scattering patterns. The system incorporates edge computing for rapid data preprocessing and exascale computing via the Frontier supercomputer for large-scale AI model training, enabling adaptive, data-driven decisions during experiments. This framework optimizes neutron beam time, improves experimental accuracy, and lays the foundation for automation in neutron scattering. Although real-time experiment steering is still in the proof-of-concept stage, the demonstrated potential of this system offers a substantial reduction in data processing time from hours to minutes via distributed training, and significant improvements in model accuracy, setting the stage for widespread adoption across neutron scattering facilities and more efficient exploration of complex material systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Fully Ceramic Microencapsulated fuel in prismatic high-temperature gas-cooled reactors: Sensitivity of reactor behavior during design basis accidents to fuel properties and the potential impact of the SiC defect annealing process

We conducted reactor performance calculations to assess the potential design basis accident performance of HTGR fuel designs. Three Fully Ceramic Microencapsulated (FCM) fueled HTGR designs were developed in a previous work (Lu et al., 2018). The maximum fuel temperature in the cores fueled by these three FCM fuels was predicted to be higher than that in the reference 350-MWt mHTGR core in both normal operating conditions and during representative design basis accidents (Lu and Brown, 2019). To better understand the potential safety margins in mHTGR design basis accidents, we performed thermal-hydraulics sensitivity studies to investigate how maximum fuel temperature varies considering various parameters, e.g. thermal properties, within the ranges corresponding to the differences between the FCM-fueled prismatic mHTGR cores and the reference core with conventional fuel compacts. We found that the difference in the steady-state axial power distribution contributed the most to the difference in the maximum fuel temperature, in both normal operation and design basis accidents.Experimental data suggested that the annealing process of irradiation defects in SiC would be rapid at mHTGR relevant fuel temperatures. The bounding potential impact of the SiC annealing on the maximum fuel temperature was analyzed considering both the thermal conductivity recovery and the Wigner energy release due to the annealing of SiC. We found that the defect annealing process in SiC would at most increase the peak maximum fuel temperature of an FCM-fueled core by 40 K in loss of forced cooling accidents and by 10 K in a control rod withdrawal accident. Finally, additional experiments on the SiC defect annealing kinetics and Wigner energy release in more relevant conditions are needed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Optical discharge propagation along hollow-core optical fibres

Propagation of an optical discharge along a revolver hollow-core optical fibre under the action of laser radiation is observed for the first time. As a source of radiation, a repetitively pulsed Nd : YAG laser with an average power up to 4 W, generating nanosecond trains of picosecond pulses, is used. After initiating an optical discharge, a motion of plasma formation along the optical fibre towards the laser beam at an average velocity of about 1 m s{sup −1} is observed. It is revealed that a quasi-periodic destruction structure of the fibre capillary reflective cladding with a period of about 170 μm is formed in the process of optical discharge propagation. The results obtained show that the optical discharge propagation observed in our experiments represents a process of periodic picosecond pulse excitation of a light detonation wave in the air filling the core. As a result, during the action of a train of nanosecond laser pulses, the optical discharge moves along the fibre with a velocity in the range from 100 to 10 km s{sup −1}. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Temperature dependent electron delocalization in CdSe/CdS type-I core-shell systems: An insight from scanning tunneling spectroscopy

Core-shell nanocrystals having a type-I band-alignment confine charge carriers to the core. In this work, we choose CdSe/CdS core-shell nano-heterostructures that evidence confinement of holes only. Such a selective confinement occurs in the core-shell nanocrystals due to a low energy-offset of conduction band (CB) edges resulting in delocalization of electrons and thus a decrease in the conduction band-edge. Since the delocalization occurs through a thermal assistance, we study temperature dependence of selective delocalization process through scanning tunneling spectroscopy. From the density of states (DOS), we observe that the electrons are confined to the core at low temperatures. Above a certain temperature, they become delocalized up to the shell leading to a decrease in the CB of the core-shell system due to widening of quantum confinement effect. With holes remaining confined to the core due to a large offset in the valence band (VB), we record the topography of the core-shell nanocrystals by probing their CB and VB edges separately. The topographies recorded at different temperatures representing wave-functions of electrons and holes corresponded to the results obtained from the DOS spectra. The results evidence temperature-dependent wave-function delocalization of one-type of carriers up to the shell layer in core-shell nano-heterostructures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Evaluating proxy influence in assimilated paleoclimate reconstructions – Testing the exchangeability of two ensembles of spatial processes

Climate field reconstructions (CFR) attempt to estimate spatiotemporal fields of climate variables in the past using climate proxies such as tree rings, ice cores, and corals. Data Assimilation (DA) methods are a recent and promising new means of deriving CFRs that optimally fuse climate proxies with climate model output. Despite the growing application of DA-based CFRs, little is understood about how much the assimilated proxies change the statistical properties of the climate model data. To address this question, we propose a robust and computationally efficient method, based on functional data depth, to evaluate differences in the distributions of two spatiotemporal processes. In this study, we apply our test to study global and regional proxy influence in DA-based CFRs by comparing the background and analysis states, which are treated as two samples of spatiotemporal fields. We find that the analysis states are significantly altered from the climate-model-based background states due to the assimilation of proxies. Moreover, the difference between the analysis and background states increases with the number of proxies, even in regions far beyond proxy collection sites. Our approach allows us to characterize the added value of proxies, indicating where and when the analysis states are distinct from the background states.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

PVDeg: Development of a Streamlined Tool for PV Degradation Modeling

The photovoltaic (PV) industry constantly aims for lower costs, higher-efficiency cells, and improved module designs. These trends lead to using new materials, designs, and manufacturing processes, resulting in a continually changing technological landscape. These changes can potentially introduce new, unknown degradation mechanisms and failure modes that are difficult to diagnose, analyze, test, and model. This introduces uncertainty into the expected lifetime of PV modules of 25 to 50 years. research efforts aim to achieve this while keeping performance degradation at a minimum for decades. This puts considerable pressure on improving the accuracy of long-term durability and reliability assessments. There is a need to organize the existing degradation data into an accessible format and to provide industry relevant tools for extrapolation from laboratory to field conditions. Because the core of this type of analysis involves calculations that are complicated but ubiquitous for many degradation processes, an enhanced predictive modeling framework will facilitate the analysis to help researchers keep up with the rapid pace of technological changes. In this work, we present an online tool that can be used to search for and analyze degradation information and extrapolate PV module performance and durability to field exposure. The tool will simplify many of the routine computational operations that are common to many degradation studies. The prediction tool will be built modular and published as open source, enabling users to expand on the existing framework. This repository will contain various degradation models and material parameters suitable for the reliability and durability assessment of materials and components deployed outdoors.

degradation↗
DOE OSTI2015

Core–Shell CdS–Cu 2 S Nanorod Array Solar Cells

As an earth-abundant p-type semiconductor, copper sulfide (Cu 2 S) is an attractive material for application in photovoltaic devices. However, it suffers from a minority carrier diffusion length that is less than the length required for complete light absorption. Core–shell nanowires and nanorods have the potential to alleviate this difficulty because they decouple the length scales of light absorption and charge collection. To achieve this geometry using Cu 2 S, cation exchange was applied to an array of CdS nanorods to produce well-defined CdS–Cu 2 S core–shell nanorods. Previous work has demonstrated single-nanowire photovoltaic devices from this material system, but in this work, the cation exchange chemistry has been applied to nanorod arrays to produce ensemble-level devices with microscale sizes. The core–shell nanorod array devices show power conversion efficiencies of up to 3.8%. In addition, these devices are stable when measured in air after nearly one month of storage in a desiccator. Furthermore, these results are a first step in the development of large-area nanostructured Cu 2 S-based photovoltaics that can be processed from solution.

14 SOLAR ENERGY↗
DOE OSTI2025

Shake-Down Spectroscopy as State- and Site-Specific Probe of Ultrafast Chemical Dynamics

Tracking the multifarious ultrafast electronic and structural changes occurring in a molecule during a photochemical transformation is a challenging endeavor that benefits from recent experimental and computational progress in time-resolved techniques. Measurements of valence electronic states, which provide a global picture of the bonding structure of the molecule, and core electronic states, which provide insight into the local environment, traditionally require different approaches and are often studied separately. Here, we demonstrate that X-ray pulses from a seeded free-electron laser (FEL) enable the measurement of high-resolution, time-resolved X-ray photoelectron spectra (XPS) that capture weak satellite states resulting from shake-down processes in a valence-excited molecule. This approach effectively combines the advantages of both valence- and core-state investigations. We applied this method to investigate photoexcited CS2 molecules, where the role of internal conversion (IC) and intersystem crossing (ISC) in determining the predissociation dynamics is controversial. We present XPS spectra from photoexcited CS2, obtained at the FERMI FEL. High-resolution measurements, compared to the corresponding spectra obtained from accurate multireference quantum chemical calculations, reveal that shake-down satellite channels are highly sensitive to both valence electronic and geometric changes. Previous studies of the predissociation dynamics have led to uncertain assignments of the branching between singlet and triplet excited states. We derive a propensity rule that demonstrates the spin-selectivity of the shake-downs. This selectivity allows us to unequivocally assign contributions from the bright and dark singlet excited states, with populations tracked along the predissociation dynamic pathway.

Thompson, Henry J. [Univ. of Southampton (United K↗
DOE OSTI2019

Integrated Waste Treatment Unit Plan for Vessel and Canister Decontamination - 19283

The Integrated Waste Treatment Unit (IWTU) was designed to use a proprietary fluidized-bed steam reforming process to treat 3,400,000 L (898,184 gal) of radioactive sodium bearing waste (SBW). IWTU is currently in commissioning and startup phase prior to future processing of SBW. The current simulant SBW is introduced into the denitration mineralization reformer and transformed into a dry, granular product that is filtered and eventually transferred into a product canister. The intention of the facility is to process the SBW and store the product canisters in vaults to await shipping to a depository at a later date. The IWTU is a part of the Idaho Cleanup Project Core, located at the INL Site and operated by Fluor Idaho, LLC. During early operation and testing of the facility, it was observed that the original process equipment decontamination system did not possess the capability to recover from plant shutdowns that result from upset conditions or maintenance outages; thus, a need for a redesigned decontamination system was identified. This paper discusses current decontamination methods and their capabilities and areas where these methods fall short of decontaminating process equipment and product canisters. This paper discusses the design and purpose of the decontamination methods being tested and developed for implementation into the IWTU. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Development of a Stiffness-Based Chemistry Load Balancing Scheme, and Optimization of Input/Output and Communication, to Enable Massively Parallel High-Fidelity Internal Combustion Engine Simulations

A closed-cycle gasoline compression ignition engine simulation near top dead center (TDC) was used to profile the performance of a parallel commercial engine computational fluid dynamics code, as it was scaled on up to 4096 cores of an IBM Blue Gene/Q supercomputer. The test case has 9 million cells near TDC, with a fixed mesh size of 0.15 mm, and was run on configurations ranging from 128 to 4096 cores. Profiling was done for a small duration of 0.11 crank angle degrees near TDC during ignition. Optimization of input/output performance resulted in a significant speedup in reading restart files, and in an over 100-times speedup in writing restart files and files for post-processing. Improvements to communication resulted in a 1400-times speedup in the mesh load balancing operation during initialization, on 4096 cores. An improved, “stiffness-based” algorithm for load balancing chemical kinetics calculations was developed, which results in an over 3-times faster run-time near ignition on 4096 cores relative to the original load balancing scheme. With this improvement to load balancing, the code achieves over 78% scaling efficiency on 2048 cores, and over 65% scaling efficiency on 4096 cores, relative to 256 cores.

CFD, Mira, Supercomputing, High Performance Comput↗
NASA NTRS1996

PICA Forebody Heatshield Qualification for the Stardust Discovery Class Mission

This paper presents the qualification of the light weight Phenolic Impregnated Carbon Ablators (PICA) as the forebody heatshield for the Stardust Discovery Class Mission. The Stardust spacecraft will be launched in early 1999 and fly by Comet Wild-2 to collect cometary and interstellar dust and return them back to earth in the Sample Return Capsule (SRC). This earth re-entry will be the fastest to date, at 12.6 km/s, and therefore requires a heatshield that can withstand very high heating rates and stagnation pressures, as well as provide the necessary insulation to the vehicle structure. The PICA material was developed as part of the Lightweight Ceramic Ablators program at NASA Ames Research Center, and was baselined as the forebody heatshield because of its low density and superior ablation and thermal performance at severe aerothermodynamic conditions. Under a Small Business Innovative Research (SBIR) program with NASA Ames, Fiber Materials, Inc. developed a process to manufacture a single-piece PICA heatshield for the forebody of the SRC, along with witness material for the fabrication of the test models. The test models were fabricated and instrumented by the staff of Lockheed Martin Astronautics in Denver, Colorado. Full body preliminary aerothermal CFD calculations were performed at NASA Ames to determine the heating and stagnation pressure conditions. The Heat shield sizing was also performed at NASA Ames by using a new material response code that accounts for the highly porous characteristics of the PICA material. The ablation and thermal performance of PICA was qualified in the NASA Ames Interaction Heating Arc Jet Facility. A total of 24 models and four test conditions were used to qualify PICA at the predicted peak heat flux, heat load, shear, and stagnation pressure conditions. Surface and in-depth temperatures were measured using optical pyrometers and thermocouples. Surface recession was measured by using a template and a height gage. Several models were tested to evaluate repair procedures, and two models were cold soaked in liquid nitrogen, prior th testing, to investigate the effect of the cold space environment on the performance of the material. In addition, material cored from a demonstration single-piece heatshield was tested to verify that the PICA process can be successfully completed on a large, complex heatshield shape.

Tran, Huy K.↗
DOE OSTI2022

3D Reality Energy Modeling Software

The team will combine Bentley Systems’ ContextCapture and extend Oak Ridge National Laboratory’s building energy modeling capabilities in order to create digital twins of buildings that allow simulation-informed improvement for energy efficiency and demand response in the design and operation of the built environment. Bentley Systems’ ContextCapture software processes data from 3D laser scanning and photographs (through photogrammetry) to create a photorealistic, 3D mesh with a scale of individual objects to building to city-sized. This capability easily provides city-level visualization models and platforms where sustainable design alternatives are readily evaluated. Oak Ridge National Laboratory (ORNL) serves the U.S. Dept. of Energy (DOE) as one of three core laboratories developing building energy modeling tools EnergyPlus and OpenStudio. ORNL’s AutoBEM software (bit.ly/AutoBEM) can process imagery (satellite, aerial, and street level), LiDAR, cartographic layers, tax assessor’s data, and other data sources to extract building footprints, height, window-to-wall ratio, building type, vintage, and other building properties. AutoBEM has created 178,368 building energy models that were empirically validated with 15-minute whole-building electrical data from a utility.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

What Controls the Entrainment Rate of Dry Buoyant Thermals with Varying Initial Aspect Ratio?

Here, this study uses theory and numerical simulations to analyze the nondimensional spreading rate a (change in radius with height) of buoyant thermals as they rise and entrain surrounding environmental fluid. A focus is on how a varies with initial thermal aspect ratio A r , defined as height divided by width of the initial buoyancy perturbation. An analytic equation for thermal ascent rate w t that depends on a is derived from the thermal-volume-averaged momentum bud get equation. The thermal top height when w t is maximum, defining a critical height z c , is inversely proportional to a. The height z c also corresponds to the thermal top height when buoyant fluid along the thermal’s vertical axis is fully replaced by entrained nonbuoyant environmental fluid rising from below the thermal. The time scale for this process is controlled by the vertical velocity of parcels rising upward through the thermal’s core. This parcel vertical velocity is approximated from Hill’s analytic spherical vortex, yielding an analytic inverse relation between a and A r . Physically, this a–A r relation is connected to changes in circulation as A r is modified. Numerical simulations of thermals with A r varied from 0.5 to 2 give a values close to the analytic theoretical relation, with a factor of ~3 decrease in a as A r is increased from 0.5 to 2. The theory also explains why a of initially spherical thermals from past laboratory and modeling studies is about 0.15. Overall, this study provides a theoretical underpinning for understanding the entrainment behavior of thermals, relevant to buoyantly driven atmospheric flows.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Industry Facing PV Degradation Prediction Tool and Database to Enable a 50-Year Life Module

The Photovoltaic (PV) industry constantly aims for lower costs, higher-efficiency cells, and improved module designs. These trends lead to using new materials, designs, and manufacturing processes, resulting in a continually changing technological landscape. These changes can potentially introduce new, unknown degradation mechanisms and failure modes that are difficult to diagnose, analyze, test, and model. This introduces uncertainty into the expected lifetime of PV modules of 25 years. Furthermore, research efforts aim for up to 50 years of service life while keeping performance degradation at a minimum for decades of outdoor weathering - putting additional pressure on improving the accuracy of long-term durability and reliability assessments. Here there is a need to organize the existing degradation data into an accessible format and to provide industry relevant tools for extrapolation from laboratory to field conditions. Because the core of this type of analysis involves calculations that are complicated but ubiquitous for many degradation processes, an enhanced predictive modeling framework will facilitate the analysis to help researchers keep up with the rapid pace of technological changes. In this work, we present an online tool that can be used to search for and analyze degradation information and extrapolate PV module performance and durability to field exposure. A graphical user interface will aid in the understanding of the results. The prediction tool will be built modular and published as open source, enabling users to expand on the existing framework. We use an integration pipeline approach that allows us to leverage weather data from the National Solar Radiation Database to perform geospatial degradation analysis in the US and worldwide. Our repository will contain various degradation models and material parameters suitable for the reliability and durability assessment of materials and components deployed outdoors. We hope to become a repository that can be used for weathering and degradation analysis for various applications beyond the PV industry.

degradation↗
DOE OSTI2018

Mechanism and Conditions for Continuous Hydride Layer Formation in Zirconium Cladding

Local hydrogenation of zirconium fuel-element cladding, resulting in the formation of continuous hydrides, as a rule occurs when coolant or other hydrogen-containing compound finds its way beneath the fuel-element cladding irradiated in the core of a water moderated and cooled reactor. In this article, the set of processes occurring during hydrogenation of zirconium cladding is analyzed, and estimates are given for the parameters of these processes. The conditions and mechanism of formation of a continuous hydride over the thickness of zirconium cladding are established. It is shown that the duration of the nucleation of the hydride is determined primarily by the time to local destruction of the oxide film on the inner surface of the zirconium cladding of the fuel elements. The shortest possible time for continuous hydride to grow through the thickness of fuel-element cladding is determined.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗