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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Mass spectral molecular mapping shows benefits of thermal evaporation in prelithiated silicon-based electrodes

Silicon based composites have become increasingly popular as potential anodes for lithium-ion batteries due to their large storage capacity and potential ability to generate batteries with energy densities greater than 350 Wh kg −1 . These anodes often see reduced initial columbic efficiency (ICE) due to disruptive volume expansionup to 300% and continuous solid electrolyte interphase (SEI) layer formation. Prelithiation, where an excess reservoir of Li is added to the electrode to compensate for irreversible SEI formation losses during their sample preparation, has proven to solve the issue of immediate capacity loss. Thermal evaporation is a prelithiation technique with limited studies on its effectiveness. In this study, time-of-flight secondary ion mass spectrometry (ToF-SIMS) is used to highlight the benefits of prelithiation via thermal evaporation. ToF-SIMS provides chemical mapping and spatial information in 2D and 3D visualizing the deposition of lithium, identifying Li x Si y alloy and Li x Si y O z silicate formation, and the distribution of lithium passivation into the electrodes. Passivation under different atmospheric conditions, such as inert Argon (Ar) and Ar/ carbon dioxide (CO 2 ), highlights the impact of the environment on the passivation effectiveness and formation of Li x Si y alloy and Li x Si y O z silicate. The ToF-SIMS molecular imaging and depth profiling results indicate that prelithiation via thermal evaporation effectively distributes lithium throughout the depth profile thickness of several hundred nanometers. It induces a greater degree of Li x Si y O z silicate formation over Li x Si y alloy. Our ToF-SIMS characterization results show the effectiveness of thermal evaporation in producing a more stable electrode and an electrode with an effective lithium reserve that can preserve its capacity.

Parker, Gabriel D. [Oak Ridge National Laboratory ↗
DOE OSTI2023

The evolution of HCO + in molecular clouds using a novel chemical post-processing algorithm

Modelling the chemistry of molecular clouds is critical to accurately simulating their evolution. To reduce computational cost, 3D simulations generally restrict their chemistry to species with strong heating and cooling effects. Time-dependent information about the evolution of other species is therefore often neglected. We address this gap by post-processing tracer particles in the SILCC-Zoom molecular cloud simulations. Using a chemical network of 39 species and 301 reactions (including freeze-out of CO and H 2 O) and a novel algorithm to reconstruct a density grid from sparse tracer particle data, we produce time-dependent density distributions for various species. We focus upon the evolution of HCO + , which is a critical formation reactant of CO but is not typically modelled on the fly. We find that ∼ 90 per cent of the HCO + content of the cold molecular gas forms in situ around n HCO + ∼ 10 3 –10 4 cm −3 , over a time-scale of approximately 1 Myr. The remaining ∼ 10 per cent forms at high extinction sites, with minimal turbulent mixing out into the less dense gas. We further show that the dominant HCO + formation pathway is dependent on the visual extinction, with the reaction H 3 + + CO contributing 90 per cent of the total HCO + production above A V, 3D = 3. We produce the very first maps of the HCO + column density, N(HCO + ), and show that it reaches values as high as 10 15 cm −2 . We find that 50 per cent of the HCO + mass is located within AV ∼ 10–30 in a density range of 10 3.5 –10 4.5 cm −3 . Our maps of N(HCO + ) are shown to be in good agreement with recent observations of the W49A star-forming region.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Using Robotic Manipulators for Radioactive Waste Inspection - 20090

The global nuclear industry has a growing volume of nuclear waste which needs to be scanned, sorted according to its activity and material type, then processed into the correct waste packages for long term storage and disposal. It is vital that there is a detailed understanding of the waste inventory stored in long term waste containers, as knowledge of their contents could predict or prevent any adverse effects in storage. The numerous 'scan and sort' tables which are currently used at many different facilities around the world to sort waste into their correct containers are human operated and require very slow gamma scanning procedures combined with educated guesswork to manually sort the waste. This often leads to excessive conservatisms, with placement of lower activity wastes in higher activity containers, which in turn costs significantly more to store. In the United Kingdom it costs UK Pounds 46 k per cubic meter to store intermediate level waste compared to just UK Pound 2.9 k per cubic meter to store low level waste according to a 2008 Department of Energy and Climate Change report in the UK. A proposed solution to this problem, is the use of a robotic manipulator to automatically inspect the 'scan and sort table' in order to produce an accurate 3D model of the table's waste contents and attach an overlaid radiation map. The radiation map contains spectrometry data and can in consequence be used to distinguish and locate specific radioisotopes. The 3D model should be as accurate as possible in order to allow for a second robot arm with an attached gripper to grasp the objects and place them into their designated long-term storage container. Various scanning procedures are explored in this study including basic raster scanning, adaptive raster scanning and point sampling. The optimal solution will in practice be defined by the required application and activity level of the wastes being inspected. The results presented in this study indicate that it is possible to produce a centimeter accurate 3D model of a mixed assortment of components on a nuclear waste 'scan and sort' table. In addition, it was shown that the waste objects emitting radiation could be accurately identified and located, with an overlaid radiation map. This study is applicable across the nuclear waste management sector. Many of the ideas and concepts developed in this study are applicable in other decommissioning settings for example, dismantling of legacy gloveboxes or routine inspection of nuclear waste packages in storage. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Evaluation of camera-based freehand SPECT in preoperative sentinel lymph node mapping for melanoma patients

Assessment of lymphatic status via sentinel lymph node (SLN) biopsy is an integral and crucial part of melanoma surgical oncology. The most common technique for sentinel node mapping is preoperative planar scintigraphy of an injected gamma-emitting lymphatic tracer followed by intraoperative node localization using a non-imaging gamma probe with auditory feedback. In recent years, intraoperative visualization of SLNs in 3D has become possible by coupling the probe to an external system capable of tracking its location and orientation as it is read out, thereby enabling computation of the 3D distribution of the tracer (freehand SPECT). In this project, the non-imaging probe of the fhSPECT system was replaced by a unique handheld gamma camera containing an array of sodium iodide crystals optically coupled to an array of silicon photomultipliers (SiPMs). A feasibility study was performed in which preoperative SLN mapping was performed using camera fhSPECT and the number of detected nodes was compared to that visualized by lymphoscintigraphy, probe fhSPECT, and to the number ultimately excised under non-imaging probe guidance. Among five subjects, SLNs were detected in nine lymphatic basins, with one to five SLNs detected per basin. A basin-by-basin comparison showed that the number of SLNs detected using camera fhSPECT exceeded that using lymphoscintigraphy and probe fhSPECT in seven of nine basins and five of five basins, respectively. (Probe fhSPECT scans were not performed for four basins.) It exceeded the number excised under non-imaging probe guidance for seven of nine basins and equaled the number excised for the other two basins. Freehand SPECT using a prototype SiPM-based gamma camera demonstrates high sensitivity for detection of SLNs in a preoperative setting. Camera fhSPECT is a potential means for efficiently obtaining real-time 3D activity distribution maps in applications such as image-guided percutaneous biopsy, and surgical SLN biopsy or radioguided tumor excision.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

3D printed water-stable Cd-doped Cs 4 MnBi 2 Cl 12 /polylactic acid perovskite/polymer composites for high-flux X-ray scintillation

Stable and efficient X-ray scintillators are crucial for medical diagnostics, industrial, and defense applications. However, conventional scintillator technologies face a trade-off between stability, optimal performance, and sustainability. Herein, we introduce 3D-printed Cs 4 MnBi 2 Cl 12 (Pero1) and Cs 4 Cd 0.68 Mn 0.32 Bi 2 Cl 12 (Pero2) perovskite microcrystals embedded within a polylactic acid (PLA) polymer composite as X-ray scintillators, combining efficiency, stability, and sustainability. The orange luminescent perovskite powder phosphors exhibited poor water stability, which was successfully addressed through incorporation into PLA via filament extrusion and fused deposition modeling (FDM) 3D printing. The resulting composite films demonstrated remarkable water stability while maintaining uniform orange emission throughout the polymer matrix, as confirmed by 3D topography scanning and X-ray fluorescence mapping. Structural characterization revealed minimal chemical interaction between the perovskite and PLA matrix, with the composites retaining their crystalline properties. The PLA-Pero2 composite exhibited superior optical properties, with a photoluminescence quantum yield of 47%, nearly 17 times higher than that of PLA-Pero1 (2.8%), attributed to the effective suppression of non-radiative decay pathways through Cd 2+ doping. Under hard X-ray irradiation at synchrotron beamlines, both composites exhibited excellent radioluminescence, with emission peaks at 605 nm, a linear response across a wide X-ray flux range, and remarkable radiation stability, showing less than 3% intensity degradation after 600 seconds of continuous high-dose exposure. The PLA-Pero2 composite achieved a spatial resolution of 5 line pairs per millimeter and a contrast ratio of 0.255. These performance metrics, combined with the polymer's biodegradability and scalability through additive manufacturing, position PLA-based composites as a more sustainable alternative to conventional petroleum-based polymer scintillators for next-generation medical imaging, radiation monitoring, and industrial radiography applications.

3D Printing↗
DOE OSTI2022

Determinants of synapse diversity revealed by super-resolution quantal transmission and active zone imaging

Neural circuit function depends on the pattern of synaptic connections between neurons and the strength of those connections. Synaptic strength is determined by both postsynaptic sensitivity to neurotransmitter and the presynaptic probability of action potential evoked transmitter release (P r ). Whereas morphology and neurotransmitter receptor number indicate postsynaptic sensitivity, presynaptic indicators and the mechanism that sets P r remain to be defined. To address this, we developed QuaSOR, a super-resolution method for determining P r from quantal synaptic transmission imaging at hundreds of glutamatergic synapses at a time. We mapped the P r onto super-resolution 3D molecular reconstructions of the presynaptic active zones (AZs) of the same synapses at the Drosophila larval neuromuscular junction (NMJ). We find that P r varies greatly between synapses made by a single axon, quantify the contribution of key AZ proteins to P r diversity and find that one of these, Complexin, suppresses spontaneous and evoked transmission differentially, thereby generating a spatial and quantitative mismatch between release modes. Transmission is thus regulated by the balance and nanoscale distribution of release-enhancing and suppressing presynaptic proteins to generate high signal-to-noise evoked transmission.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Autonomous elemental characterization enabled by a low cost robotic platform built upon a generalized software architecture

Despite the rapidly growing applications of robots in industry, the use of robots to automate tasks in scientific laboratories is less prolific due to the lack of generalized methodologies and the high cost of hardware. This paper focuses on the automation of characterization tasks necessary for reducing cost while maintaining generalization and proposes a software architecture for building robotic systems in scientific laboratory environments. A dual-layer (Socket.IO and ROS) action server design is the basic building block, which facilitates the implementation of a web-based front end for user-friendly operation and the use of ROS Behavior Trees for convenient task planning and execution. A robotic platform for automating mineral and material sample characterization is built upon the architecture, with an open-source, low-cost three-axis computer numerical control gantry system serving as the main robot. A handheld laser induced breakdown spectroscopy (LIBS) analyzer is integrated with a 3D printed adapter, enabling (1) automated 2D chemical mapping and (2) autonomous sample measurement (with the support of an RGB-Depth camera). We demonstrate the utility of automated chemical mapping by scanning the surface of a spodumene-bearing pegmatite core sample with a 1071-point dense hyperspectral map acquired at a rate of 1520 bits per second. Furthermore, we showcase the autonomy of the platform in terms of perception, dynamic decision-making, and execution, through a case study of LIBS measurement of multiple mineral samples. The platform enables controlled and autonomous chemical quantification in the laboratory that complements field-based measurements acquired with the same handheld device, linking resource exploration and processing steps in the supply chain for lithium-based battery materials.

Cao, Xuan [Lawrence Berkeley National Laboratory (↗
DOE OSTI2024

3D hybrid fluid-particle jet simulations and the importance of synchrotron radiative losses

Context. Relativistic jets in active galactic nuclei are known for their exceptional energy output, and imaging the synthetic synchrotron emission of numerical jet simulations is essential for a comparison with observed jet polarization emission. Aims. Through the use of 3D hybrid fluid-particle jet simulations (with the PLUTO code), we overcome some of the commonly made assumptions in relativistic magnetohydrodynamic (RMHD) simulations by using non-thermal particle attributes to account for the resulting synchrotron radiation. Polarized radiative transfer and ray-tracing (via the RADMC-3D code) highlight the differences in total intensity maps when (i) the jet is simulated purely with the RMHD approach, (ii) a jet tracer is considered in the RMHD approach, and (iii) a hybrid fluid-particle approach is used. The resulting emission maps were compared to the example of the radio galaxy Centaurus A. Methods. We applied the Lagrangian particle module implemented in the latest version of the PLUTO code. This new module contains a state-of-the-art algorithm for modeling diffusive shock acceleration and for accounting for radiative losses in RMHD jet simulations. The module implements the physical postulates missing in RMHD jet simulations by accounting for a cooled ambient medium and strengthening the central jet emission. Results. We find a distinction between the innermost structure of the jet and the back-flowing material by mimicking the radio emission of the Seyfert II radio galaxy Centaurus A when considering an edge-brightened jet with an underlying purely toroidal magnetic field. We demonstrate the necessity of synchrotron cooling as well as the improvements gained when directly accounting for non-thermal synchrotron radiation via non-thermal particles.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Observation of Defect-Assisted Magnetic Vortex Core Reversal at Ultralow Critical Velocity

The stability of structures with nontrivial topology is a subject of great interest, both from fundamental and technological perspectives. The topology of a magnetic vortex, for example, results in high stability of the vortex core polarity, which is attractive for applications. This high stability, however, greatly impedes the required deterministic polarity switching, which is typically only achieved with large magnetic fields or strong dynamic driving. Here, we show that the interaction between the vortex core and manufactured nanoscale defects in the magnetic material lowers the required driving strength for core polarity reversal by more than an order of magnitude. We excite vortex dynamics in thin permalloy disks, and map the twodimensional (2D) vortex core trajectory using 3D time-resolved Kerr microscopy. In pristine samples, we observe normal gyrotropic motion of the vortex core. After laser-induced generation of defects, however, we observe repeated vortex core reversal at much-reduced driving strength. Micromagnetic simulations reveal how local reduction of exchange coupling and saturation magnetization can create vortex core reversal sites for deterministic vortex core switching.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Evaluating the Effectiveness of an Ultrasonic Acoustic Deterrent in Reducing Bat Fatalities at Wind Energy Facilities

This project was designed to use thermal video cameras and fatality monitoring to evaluate the effectiveness of an ultrasonic acoustic deterrent (UAD) on bat activity and mortality, respectively. Our goals were to redesign the UAD device and installation infrastructure, determine the placement on wind turbines to optimize safety, compatibility and functionality, and to compare the mortality among the following conditions: Control (deterrents off and turbines feathered up to the manufacturer’s cut-in speed of 3.5 m/s), Deterrent (deterrents on and turbines feathered up to the manufacturer’s cut-in speed of 3.5 m/s), Curtailment (deterrents off and turbines feathered up to 5/ m/s), and combination (deterrents on and turbines feathered up to 5 m/s). The project was divided into a Feasibility Study and Comparative Study. The objectives for the Feasibility Study were to develop an installation strategy, redesign a previous iteration of a UAD to improve performance and weatherization, and test the effectiveness of the deterrents on bat activity. The Feasibility Study was intended to work out potential issues using a relatively small number of devices prior to manufacturing and installing numerous devices for a larger-scale comparative study. The division of the project into these separate studies was based on previous experience and the challenges of assessing the capabilities of an untested UAD. During the initial development and manufacturing of the UAD, NRG Systems decided to use a piezoelectric transducer rather than an electrostatic transducer, which was used by a previous device (i.e. Deaton UAD). NRG Systems conducted lab testing (i.e., IP67 or Ingress Protection) to ensure no water or dust ingress. In addition, shock/drop trials and variations in temperature exposure were conducted as part of the reliability testing. NRG Systems also developed a communications system to allow for continuous performance monitoring of the UADs. For the Feasibility Study, we installed 6 UADs on each of 2 Gamesa G90 2-MW wind turbines (Turbine 14 and 8) at the South Chestnut Wind Energy Facility, Pennsylvania and monitored activity under control and treatment (i.e. Deterrent) conditions using thermal video monitoring. There are two major sources of variation in bat activity (beyond the anticipated treatment effect): 1) environment around the turbines might inherently favor more activity at one than the other; 2) weather conditions on any given night or within season difference (e.g., migration later during the study period) might favor more activity on some nights than on other nights. Because we could only monitor two turbines on any night, we sought to control the potential influences of these two sources by alternating the turbine on which deterrents were activated each night. If there were no loss of data due to technical failures, this design would result in an equal number of deterrent and control nights at each turbine through the monitoring period, balancing the effects of both sources of variation. We compared the time bats spent and the number of events that occurred in overlapping cameras FOV as an indicator of risk, since 80% of the overlapping FOV of the cameras was in the RSA. Equipment failures, majority due to lightning, resulted in only 17 nights with useable data, with unbalanced treatment assignment within turbines and uneven distribution of treatment assignment throughout the observational period. This resulted in a confounding of treatment assignment and seasonal change. Deterrent treatment was measured at Turbine 14 on only 2 of the first 8 usable nights (spanning the period from 8/18-9/17), whereas 6 times on Turbine 8. From 9/18-927, deterrent was on at Turbine 14 on 6 of the remaining 10 nights, and 4 on Turbine 8. We recorded a total of 1,057 bats and observed a reduction in number of events and duration of events at the UAD-activated turbine when it was Turbine 14. When Turbine 8 had the UAD activated, we observed no difference in number or duration of events. Variation between turbines is not unusual and can cause issues when study designs have no true replication, i.e., multiple turbines per treatment. Within-turbine differences suggested a trend for reduced activity when UADs were activated, particularly for Turbine 14. These results may be caused by the overall higher bat activity at Turbine 8 and confounding of treatment assignment and seasonal trends. We mapped 58 bat events in 3-dimensional space (3D), 30 and 28 events during control and treatment conditions, respectively. We observed bats crossing the rotor plane under both control and treatment conditions and observed a total of 40 confirmed or near-collisions (i.e., target close to blade but no visual confirmation of a strike) out of a total of 1,491 medium and high confidence bat observations (880 control, 611 at treatment). Twice as many collisions/possible collisions were observed during control conditions. Given the challenges with the equipment and potential confounding of the data (i.e., different activity levels at the two wind turbines), we were unable to determine whether this initial turbine placement and orientation was optimal. Given no new information on how best to install the devices, we elected to use the same placement and orientation for the comparative study. For the Comparative Study, the objectives were to investigate the relative mortality rates among 4 treatments. We searched the area within 90 m of each turbine daily to recover the highest number of fresh fatalities possible. We were unable to detect a clear reduction in mortality from deterrents alone for any individual species. Surprisingly, mortality rate of the eastern red bat (Lasiurus borealis) was estimated to be 1.3–4.2 times as much when turbines were operating normally and UADs were on than when UADs were off. Reduction in mortality of all bat species combined due to curtailment of turbines was estimated to be between 0%–38%. This effect was nullified when, in addition to curtailment, UADs were on, with 95% confidence interval ranging from a 45% reduction to a 36% increase in mortality. This was likely due to the large proportion of eastern red bats in the total carcass population. Mortality of all low-frequency echolocating bats combined (i.e. hoary bat [L. cinereus], big brown bat [Eptesicus fuscus], silver-haired bat [Lasionycteris noctivagans]) relative to control was lower when curtailed (95% CI: 0%–74%), but the addition of UADs had no detectable effect (95%CI: 13%–79%). The combined treatment reduced mortality in silver-haired bats relative to control by 11%–99%, compared to curtailment (81% reduction–67% increase) or deterrent (82% reduction–67% increase) alone. Because silver-haired bats comprised a large proportion of low-frequency calling bats found during this study, a similar effect was seen for that group. The higher mortality observed for eastern red bats at UAD compared to control could have been caused by several factors, such as the effective range of the UAD, particularly at higher frequencies, behavior, positioning of the devices on the nacelle, or a combination of these. We used 3D thermal videography to compare control and UAD bat behavior from two turbines using a total of 203 3D bat-tracks across 34 nights. We recorded a similar number of bat-tracks between treatment groups, with 51% and 49% for control and UAD, respectively. Due to potential differences in bat behavior around spinning vs stationary turbine blades, we examined UAD effectiveness separately for non-operating turbines (feathered below cut-in speed of 3.5 m/s) and operating (normal operation above wind speed of 3.5 m/s). We found a higher proportion of bat-tracks at operating turbines (82%) compared to non-operating turbines (18%), although this does not account for overall time turbines were operating versus not. At non-operating turbines the UAD appears to be effective at reducing the amount of time, flight length, and number of passes through the rotor plane, compared to control. In addition, we found bats approached turbines similarly between control and treatment turbines, with 61% of control and 63% of UAD bat-tracks originating leeward of the hub. In contrast, at operating turbines, we saw little change in bat behavior in response to UADs. For example, we found an increase in the average duration of bat-tracks between non-operating and operating turbines for UAD but at control turbines we found average duration decreased once turbines became operational. Both control and UAD had a high proportion of bat-tracks that crossed the rotor plane (i.e., collision risk) originate from the windward side when turbines were operational 65% to 92%, respectively. Given that the UAD devices closest to the blades were orientated parallel to the blades, its possible bats were not exposed to the signal until they were close to the turbine blades, as suggested by the slightly higher mean duration within 5 meters of the blades for UAD turbines. Future research should consider concentrating UAD intensity on the areas of risk (i.e. blades) with enough buffer to allow bats to react to the sound before entering the rotor-swept area (RSA). In addition, investigating the potential of installing UAD units windward of the turbine blades (e.g. a hub-mounted UAD), particularly since even under control conditions, a relatively high proportion (65%) of crosses through the blade plane originated windward. 3D thermal videography provided valuable information on future testing strategies (e.g. device placement, UAD orientation) to improve UAD effectiveness when bats are at risk (i.e., operating wind turbines). Across the entire project we experienced issues with the operation and communication with the UADs. Most of the issues occurred during the Feasibility Study and were resolved prior to the Comparability Study. Additional challenges surfaced during the Comparability Study but were remedied immediately and are thought to have little impact on the results. We had logistical constraints at the project that limited our ability use traditional methods in our camera calibration. Several calibrations showed inaccurate scales, which may have been related to inadequate spatial coverage of “points” in the camera calibration volume. Because we were using actual video recordings of bats at a wind turbine, the behavior of bats could have concentrated “points” in specific areas of the turbine (i.e. leeward of nacelle), and limited “points” in other areas, resulting in camera calibration issues. We have plans to address these inconsistencies and improving the software and related methodologies by early 2020.

17 WIND ENERGY↗
DOE OSTI2021

R Coronae Borealis Star Evolution: Simulating 3D Merger Events to 1D Stellar Evolution Including Large-scale Nucleosynthesis

R Coronae Borealis (RCB) stars are rare hydrogen-deficient carbon-rich variable supergiants thought to be the result of dynamically unstable white dwarf mergers. In this article, we attempt to model RCB stars through all the relevant timescales by simulating a merger event in Octo-tiger, a 3D adaptive mesh refinement (AMR) hydrodynamics code, and mapping the post-merger object into MESA, a 1D stellar evolution code. We then post-process the nucleosynthesis on a much larger nuclear reaction network to study the enhancement of s-process elements. We present models that match observations or previous studies in most surface abundances, isotopic ratios, early evolution, and lifetimes. We also observe similar mixing behavior to previous modeling attempts that result in the partial He-burning products visible on the surface in observations. However, we do note that our subsolar models lack any enhancement in s-process elements, which we attribute to a lack of hydrogen in the envelope. We also find that the 16 O/ 18 O isotopic ratio is very sensitive to initial hydrogen abundance and increases outside of the acceptable range with a hydrogen mass fraction greater than 10 -4 .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

XRF-MAPS

x-ray fluorescence (XRF) imaging typically involves the creation and analysis of 3D data sets, where at each scan position a full energy dispersive x-ray spectrum is recorded. This allows one to later process the data in a variety of different approaches, e.g., by spectral region of interest (ROI) summation with or without background subtraction, principal component analysis, or fitting. XRF-Maps is a C++ open source software package that implements these functions to provide a tool set for the analysis of XRF data sets.

GLOWACKI, ARTHURT↗
DOE OSTI2021

Automated Classification of Plasma Regions Using 3D Particle Energy Distributions

We investigate the properties of the ion sky maps produced by the Dual Ion Spectrometers (DIS) from the Fast Plasma Investigation (FPI). We have trained a convolutional neural network classifier to predict four regions crossed by the Magnetospheric Multiscale Mission (MMS) on the dayside magnetosphere: solar wind, ion foreshock, magnetosheath, and magnetopause using solely DIS spectrograms. The accuracy of the classifier is urn:x-wiley:21699380:media:jgra56742:jgra56742-math-0001%. We use the classifier to detect mixed plasma regions, in particular to find the bow shock regions. A similar approach can be used to identify the magnetopause crossings and reveal regions prone to magnetic reconnection. Data processing through the trained classifier is fast and efficient and thus can be used for classification for the whole MMS database.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Protein identification from electron cryomicroscopy maps by automated model building and side-chain matching

Using single-particle electron cryo-microscopy (cryo-EM), it is possible to obtain multiple reconstructions showing the 3D structures of proteins imaged as a mixture. Here, it is shown that automatic map interpretation based on such reconstructions can be used to create atomic models of proteins as well as to match the proteins to the correct sequences and thereby to identify them. This procedure was tested using two proteins previously identified from a mixture at resolutions of 3.2 Å, as well as using 91 deposited maps with resolutions between 2 and 4.5 Å. The approach is found to be highly effective for maps obtained at resolutions of 3.5 Å and better, and to have some utility at resolutions as low as 4 Å.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Industry Level Feasibility of LiDAR Data into Fire Modeling Using Fire Risk Investigation in 3D (FRI3D)

Many evaluation, assessment, and modeling tasks at nuclear power plants require spatial information this often requires physical visits to locations within the facility because the 2D or 3D schematics and current models do not contain enough detail or do not capture as-built and real-world conditions. These visits require extensive manual labor for not only the requesting party, but support groups such as security. LIDAR mapping is trying to solve that problem by providing very detailed 3D models for low costs. However, the use of these models can be very limited because either component reference information is missing and too costly to add, or there is no way to extract specific spatial data needed for other tools. This report presents Idaho National Lab's work with Environmental Intellect (Ei) covering two main efforts. First, to reduce the effort of "tagging" data in large 3D models. By using both existing plant database information, and artificial intelligence (AI) to find and read equipment labels. This research explores the ability of to provide a simple way for the user to tag items and verify plant data, capturing both the speed of AI and human verification. The second part of the work is the development of an interface for importing pieces needed for Modeling & Simulation. Analysis work such as that for fire, flood, or physical security all require spatial or 3D models in various levels of detail. This interface will allow for the retrieval of item location or boundaries, enabling the auto generation of models for varying tools. The application program interface (API) of the fire risk investigation in 3D (FRI3D) was used to test feasibility of exporting the LiDAR tagged spatial information. Outcomes from this work provide preliminary data to determine if the tools and methods could provide substantial industry benefit if fully matured.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Accurate Effective Stress Measures: Predicting Creep Life for 3D Stresses Using 2D and 1D Creep Rupture Simulations and Data

Operating structural components experience complex loading conditions resulting in 3D stress states. Current design practice estimates multiaxial creep rupture life by mapping a general state of stress to a uniaxial creep rupture correlation using effective stress measures. The data supporting the development of effective stress measures are nearly always only uniaxial and biaxial, as 3D creep rupture tests are not widely available. This limitation means current effective stress measures must extrapolate from 2D to 3D stress states, potentially introducing extrapolation error. In this work, we use a physics-based, crystal plasticity finite element model to simulate uniaxial, biaxial, and triaxial creep rupture. Here, we use the virtual dataset to assess the accuracy of current and novel effective stress measures in extrapolating from 2D to 3D stresses and also explore how the predictive accuracy of the effective stress measures might change if experimental 3D rupture data was available. We confirm these conclusions, based on simulation data, against multiaxial creep rupture experimental data for several materials, drawn from the literature. The results of the virtual experiments show that calibrating effective stress measures using triaxial test data would significantly improve accuracy and that some effective stress measures are more accurate than others, particularly for highly triaxial stress states. Results obtained using experimental data confirm the numerical findings and suggest that a unified effective stress measure should include an explicit dependence on the first stress invariant, the maximum tensile principal stress, and the von Mises stress.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Investigating Application of LiDAR for Nuclear Power Plants

Many evaluation, assessment, and modeling tasks at nuclear power plants require spatial in-formation; this often requires physical visits to locations within the facility because the 2D or 3D schematics and current models do not contain enough detail or do not capture as-built and real-world conditions. These visits require extensive manual labor for not only the requesting party, but also support groups, such as security. Light Detection and Ranging (LiDAR) mapping is trying to solve that problem by providing very detailed 3D models for low costs. However, the use of these models can be very limited because either component reference information is missing and too costly to add or there is no way to extract specific spatial data needed for other tools. This report outlines two main efforts. First, to reduce the effort of “Tagging” data in large 3D models, a general Application Programming Interface (API) was developed to import a variety of existing plant database information into a 3D-visualization engine. Filters allow the user to have only zone-specific items listed; then, they can simply click and assign the information to a specific spot or component in the 3D model. The second part of the work is the development of an interface for importing pieces from the3D-LiDAR model into other systems needed for modeling and simulation, outlined around fire modeling. This interface allows for the retrieval of item location and boundaries, enabling the auto generation of models for varying tools.

3D Modelling↗