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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Side Chain Engineering of Near-IR Aza-BODIPY Dyes Enables Processable Films with High Hole Mobility in Diodes

Boron chelated azadipyrromethene (Aza-BODIPY) derivatives are promising candidates for near-infrared optoelectronic applications due to their tunable absorption, electron-deficient core, and strong π-conjugation. Here, in this work, we synthesized and studied a series of 1-naphthylethynyl-substituted aza-BODIPY molecules featuring hexyl or hexyloxy solubilizing groups at either the proximal or the distal phenyl positions. These substitutions were designed to improve the solubility, film formation, and optoelectronic properties. We found that solubilizing groups not only enabled uniform solution-processed films but also fine-tuned key properties, such as absorption onset, oxidation potential, and energy levels. Charge transport analysis showed consistently high hole mobilities (∼10 –3 cm 2 /V s) across all substituted derivatives when CuI was used as the hole transport layer, regardless of film morphology. In contrast, electron mobilities tended to be low and inconsistent, partly because of the relatively poor-quality films on the ZnO electron transport layer. Overall, we have shown that solubilizing groups enable film solution-casting and can fine-tune the properties of these near-infrared aza-BODIPY derivatives.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Prompt core confinement improvement across the L–H transition in DIII-D: Profile stiffness, turbulence dynamics, and isotope effect

Here, we elaborate on the nature of the prompt core confinement improvement observed at the L–H transition in DIII-D, which is a long-standing issue unsolved for more than two decades and can impact future fusion reactor performance. Dynamic transport analysis suggests the essential role of the profile stiffness for understanding the mechanism of the prompt core confinement improvement. Beam emission spectroscopy shows that transport reduction at the core cannot be explained only by the ion scale turbulence density fluctuation suppression. Properties of nonlocal confinement improvement across the L–H transition are experimentally assessed in hydrogen (H) and deuterium (D) plasmas. Prompt core confinement improvement is found to be more rapid in the lighter hydrogen isotope.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Reassessment of Dose Contributions from the M-Area Glass Special Waste Form Buried in the E-Area Low-Level Waste Facility

During a recent revision to the groundwater (GW) and inadvertent human intruder (IHI) screening analysis report (Aleman and Hamm, 2023), weaknesses within the screening logic were observed resulting in U-235 being brought back into the list of radionuclides requiring inventory limits within the M-Area Glass SWF. In addition, while reviewing the earlier vadose zone (VZ) transport analysis efforts, an input deck error was observed in the U-234G VZ transport simulation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1994

LET spectra of fragmented 600-MeV/A iron beam on aluminum and polyethylene: A preliminary analysis

An iron beam experiment recently conducted at the Lawrence Berkeley Laboratory Bevalac by Benton et al. provides an opportunity for verifying the new Green's function computer code (GRNTRN) and assessing the related nuclear database. The iron beam with 600 MeV/A at extraction traversed a series of beam transport elements, lead foil, and several triggering devices before impacting the target. Of these, only the 2.24 g/sq cm lead foil and target are considered in the transport analysis with an assumed (inferred from calibration) beam energy of 557 MeV/A. A thin layer of CR-39 plastic nuclear track detector (PNTD) was placed in front of the target to monitor the incident flux and a stack of four PNTD's placed behind to measure the linear energy transfer (LET) distribution of the transported beam. Test data are analyzed for three separate targets: 2 g/sq cm aluminum, 5-cm polyethylene, and 8-cm polyethylene. The two-layer GRNTRN results were mapped into the detector response function for comparison with the measured LET spectra. Reasonable agreement is obtained. Future research and analysis can be improved by using a more accurate isotope set or including other important media which significantly alter the beam. The assumption that the fragmentation cross sections are too small for aluminum is inconclusive because the production of fragments by 2 g/sq cm aluminum can be more significantly affected by the fragment contribution originating from the media in front of the target than that currently considered in the analysis.

Shinn, Judy L.↗
DOE OSTI2021

Novel features and GPU performance analysis for EM particle transport in the Celeritas code

Celeritas is a new computational transport code designed for high-performance simulation of high-energy physics detectors. This work describes some of its current capabilities and the design choices that enable the rapid development of efficient on-device physics. The abstractions that underpin the code design facilitate low-level performance tweaks that require no changes to the higher-level physics code. We evaluate a set of independent changes that together yield an almost 40% speedup over the original GPU code for a net performance increase of 220× for a single GPU over a single CPU running 8.4M tracks on a small demonstration physics app.

Johnson, Seth R.↗
DOE OSTI2023

Coupling of the Liquid Sampling–Atmospheric Pressure Glow Discharge to Orbitrap Mass Analyzers for Uranium Isotope Ratio Analysis: Evolution of the Methodology and Implications to the Field

Just over a decade ago, a truly outside-of-the-box approach to isotope ratio mass spectrometry (IRMS) was undertaken between research groups at Clemson University and the Pacific Northwest National Laboratory. The original motivation dealt with projections as to whether or not microplasmas could be developed into practical elemental ionization sources, perhaps for transportable analysis applications. In particular, the use of the liquid sampling–atmospheric pressure glow discharge (LS-APGD) was pursued. Its interfacing to an ultra-high resolution Orbitrap platform, proved not only facile, but opened up a wealth of potential applications. Here, we lay out a historical, tutorial description of the interfacing and the evolution of the methodology regarding IRMS of uranium. Practical challenges and opportunities are described, which hopefully provide guidance to further applications in high resolution IRMS. It is hoped that, while detailed and lengthy, the didactic nature of the presentation provides experimental insights and tips, and also serves as an homage to our very good friend, Professor Gary M. Hieftje, whose scientific inspiration and comradery have been immeasurably important in our own careers.

Koppenaal, David W.↗
DOE OSTI2025

Reassessment of Dose Contributions from the Paducah Cask Special Waste Form Buried in the E-Area Low-Level Waste Facility

During a recent revision to the groundwater and inadvertent human intruder screening analysis report (Aleman and Hamm, 2023), weaknesses within the screening logic were observed resulting in the addition of U-235 being brought back into the list of radionuclides requiring inventory limits within the Paducah Cask special waste form (SWF). In addition, while reviewing the earlier vadose zone transport analysis efforts, an inconsistency was observed in the initial U-235P inventory that was supplied to the Consolidated Waste Tracking System (CWTS) back in 2009.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2003

Columbia Accident Investigation Board Report. Volume Two

Volume II of the Report contains appendices that were cited in Volume I. The Columbia Accident Investigation Board produced many of these appendices as working papers during the investigation into the February 1, 2003 destruction of the Space Shuttle Columbia. Other appendices were produced by other organizations (mainly NASA) in support of the Board investigation. In the case of documents that have been published by others, they are included here in the interest of establishing a complete record, but often at less than full page size. Contents include: CAIB Technical Documents Cited in the Report: Reader's Guide to Volume II; Appendix D. a Supplement to the Report; Appendix D.b Corrections to Volume I of the Report; Appendix D.1 STS-107 Training Investigation; Appendix D.2 Payload Operations Checklist 3; Appendix D.3 Fault Tree Closure Summary; Appendix D.4 Fault Tree Elements - Not Closed; Appendix D.5 Space Weather Conditions; Appendix D.6 Payload and Payload Integration; Appendix D.7 Working Scenario; Appendix D.8 Debris Transport Analysis; Appendix D.9 Data Review and Timeline Reconstruction Report; Appendix D.10 Debris Recovery; Appendix D.11 STS-107 Columbia Reconstruction Report; Appendix D.12 Impact Modeling; Appendix D.13 STS-107 In-Flight Options Assessment; Appendix D.14 Orbiter Major Modification (OMM) Review; Appendix D.15 Maintenance, Material, and Management Inputs; Appendix D.16 Public Safety Analysis; Appendix D.17 MER Manager's Tiger Team Checklist; Appendix D.18 Past Reports Review; Appendix D.19 Qualification and Interpretation of Sensor Data from STS-107; Appendix D.20 Bolt Catcher Debris Analysis.

CAIB (COLUMBIA ACCIDENT INVESTIGATION BOARD)↗
NASA NTRS2005

NASA Research Center Contributions to Space Shuttle Return to Flight (SSRTF)

Contributions provided by the NASA Research Centers to key Space Shuttle return-to-flight milestones, with an emphasis on debris and Thermal Protection System (TPS) damage characterization, are described herein. Several CAIB recommendations and Space Shuttle Program directives deal with the mitigation of external tank foam insulation as a debris source, including material characterization as well as potential design changes, and an understanding of Orbiter TPS material characteristics, damage scenarios, and repair options. Ames, Glenn, and Langley Research Centers have performed analytic studies, conducted experimental testing, and developed new technologies, analysis tools, and hardware to contribute to each of these recommendations. For the External Tank (ET), these include studies of spray-on foam insulation (SOFI), investigations of potential design changes, and applications of advanced non-destructive evaluation (NDE) technologies to understand ET TPS shedding during liftoff and ascent. The end-to-end debris assessment included transport analysis to determine the probabilities of impact for various debris sources. For the Orbiter, methods were developed, and validated through experimental testing, to determine thresholds for potential damage of Orbiter TPS components. Analysis tools were developed and validated for on-orbit TPS damage assessments, especially in the area of aerothermal environments. Advanced NDE technologies were also applied to the Orbiter TPS components, including sensor technologies to detect wing leading edge impacts during liftoff and ascent. Work is continuing to develop certified TPS repair options and to develop improved methodologies for reinforced carbon-carbon (RCC) damage progression to assist in on-orbit repair decision philosophy.

Cockrell, Charles E., Jr.↗
DOE OSTI2022

Energy deposition model in STREAM with photon transport

Recent efforts have been taken to implement a photon transport module for the neutron transport analysis code STREAM, considering the explicit photon energy distribution in the problem instead of using the locally deposition assumption as employed in previous STREAM versions. The current energy release model in STREAM based on the On-the-fly energy released per fission model is modified accordingly to account for the photon energy deposition computed explicitly by this module. The impacts of the modified energy release model with photon transport in STREAM on the power distribution, fuel temperature and other core parameters during depletion with feedback calculations are studied on several problems from the VERA benchmark suit. Overall, the photon transport provides a better power map for depletion and feedback calculations, especially when strong gamma emitters are present. The fuel temperature, in general, is decreased when the photon transport is employed because fission gammas have been transported out of their birthplace. The new energy deposition model in STREAM with photon transport indicates that gamma energy accounts for about 9.7% of the total energy released in a fresh VERA5 2D core and rises to 10.5% at the End of Cycle. Around 2.5% of the total energy released will be deposited in the coolant in this 2D core. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

A novel closed-form inversion of the convection–diffusion equation for rapid convection, diffusion, and source profile estimation

To simplify and routinize particle transport analysis in fusion devices, a novel closed form linear inversion of the 1-D convection diffusion equation to estimate diffusion and convection profiles D(r ⃗ ), v(r ⃗ ) and source distribution s(r ⃗ ), of a single species from measured data is derived and demonstrated on synthetic data. Profile estimates of D(r ⃗ ), v(r ⃗ ), s(r ⃗ ) and their uncertainties are given as a matrix expression constructed directly from the incoming density data of the transported species in space and time, as well as physics assumptions such as particle conservation and experimental geometry. The derived matrix expression can be applied to a pumped or non-pumped recycling species, or a non-recycling species that is effectively “pumped” by plasma-facing surfaces.

Hinson, Edward [ORNL] (ORCID:000000019713140X)↗
DOE OSTI2023

Observation of impurity accumulation and its compatibility with high plasma performance in W7-X

At the W7-X stellarator, the bolometer system has measured an intensive radiation zone in the inner plasma region (at a normalized radius $ρ$ ~ 0.3–0.4) in the hydrogen plasma generated by electron cyclotron resonance heating; it differs from the normal plasma radiation distribution with an edge-localized emission zone. Spectroscopic diagnostics have recorded high-Z elements such as iron. This phenomenon happens in the plasma phases after gas supply turn-off, which results in all impurity relevant diagnostic signals increasing for several seconds. Despite the enhancement of the core radiation, the plasma energy confinement is improved. A transport analysis shows that this impurity radiation behavior is associated with a low diffusion coefficient ($D$~ 0.02 m 2 s -1 ) and a reversal of the convection around the radial position of the emission peak, which, under normal conditions, separates the zones of outward convection in the central (|$V$| ~ 0.1 m s -1 ) and inward convection in the outer region (|$V$| ~ 0.3 m s -1 ). An impurity accumulation around this radial position has been identified. The transport coefficients obtained are comparable with the theoretical predictions of collisional impurity transport. In the plasma phases studied, both impurity and energy confinement are enhanced. The mechanism responsible for the improvement is believed to be a reduction of micro-instabilities associated with the observed steepening of the density profile, initiated by a low edge plasma density (<1.0 × 10 19 m -3 ) after switching off the gas fueling. The normalized temperature and density gradients fulfil the condition for the suppression of ITG turbulence.

suppression of ITG turbulence↗
DOE OSTI2023

Impact of Soret effect on hydrogen and helium retention in PFC tungsten under ELM-like conditions

Abstract In our previous work, we have demonstrated using nonequilibrium molecular-dynamics simulations that the fluxes of helium and self-interstitial atoms in the presence of a thermal gradient in tungsten are directed opposite to the heat flux, indicating that species transport is governed by a Soret effect, namely, thermal-gradient-driven diffusion, characterized by a negative heat of transport that drives species transport uphill, i.e. from the cooler to the hot regions of the tungsten sample. In this work, the findings of our thermal and species transport analysis have been implemented in our cluster-dynamics code, Xolotl, which has been used to compute temperature and species profiles over spatiotemporal scales representative of plasma-facing component (PFC) tungsten under typical reactor operating conditions, including extreme heat loads at the plasma-facing surface characteristic of plasma instabilities that induce edge localized modes (ELMs). We demonstrate that the steady-state species profiles, when properly accounting for the Soret effect, vary significantly from those where temperature-gradient-driven transport is not accounted for and discuss the implications of such a Soret effect on the response to plasma exposure of plasma-facing tungsten. Although our cluster-dynamics simulations do not yet include self-clustering of helium or hydrogen blister formation, our simulation results show that the Soret effect substantially reduces helium and hydrogenic species retention inside PFC tungsten.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Isotope mass scaling and transport comparison between JET Deuterium and Tritium L-mode plasmas

The dimensionless isotope mass scaling experiment between pure Deuterium and pure Tritium plasmas with matched $\rho^*$, $\nu^*$ , β n , q and $T_e/T_i$ has been achieved in JET L-mode with dominant electron heating (NBI+ohmic) conditions. 28% higher scaled energy confinement time $B_t\tau_{E,\mathrm{th}}/A$ is found in favour of the Tritium plasma. This can be cast in the form of the dimensionless energy confinement scaling law as $\Omega_i \tau_{E,\mathrm{th}} \sim A^{0.48 \pm 0.16}$. This significant isotope mass scaling is consequently seen in the scaled one-fluid heat diffusion coefficient $A \chi_{\mathrm{eff}}/B_t$ which is around 50% lower in the Tritium plasma throughout the whole plasma radius. The isotope mass dependence in the particle transport channel is negligible, supported also by the perturbative particle transport analysis with gas puff modulation. The comparison of the edge particle fuelling or ionisation profiles from the EDGE2D-EIRENE simulations show that the absolute density differences that are necessary for the dimensionless match in the confined plasma dominate over any isotope mass dependencies of particle fuelling and ionization profiles at the plasma edge. Local GENE simulation results indicate a mild anti-gyroBohm effect at $\rho_\mathrm{tor}$ = 0.6 and thereby a small isotope mass dependence in favour of Tritium on heat transport and a negligible effect on particle transport. A significant fraction of the isotope scaling and reduced heat transport observed in the Tritium plasma is not captured in the GENE and ASTRA-TGLF-SAT2 simulations by simply changing the isotope mass for the same input profiles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Density functional modeling of the binding energies between aluminosilicate oligomers and different metal cations

Interactions between negatively charged aluminosilicate species and positively charged metal cations are critical to many important engineering processes and applications, including sustainable cements and aluminosilicate glasses. In an effort to probe these interactions, here we have calculated the pair-wise interaction energies (i.e., binding energies) between aluminosilicate dimer/trimer and 17 different metal cations M n+ (M n+ = Li + , Na + , K + , Cu + , Cu 2+ , Co 2+ , Zn 2+ , Ni 2+ , Mg 2+ , Ca 2+ , Ti 2+ , Fe 2+ , Fe 3+ , Co 3+ , Cr 3+ , Ti 4+ and Cr 6+ ) using a density functional theory (DFT) approach. Analysis of the DFT-optimized structural representations for the clusters (dimer/trimer + M n+ ) shows that their structural attributes (e.g., interatomic distances) are generally consistent with literature observations on aluminosilicate glasses. The DFT-derived binding energies are seen to vary considerably depending on the type of cations (i.e., charge and ionic radii) and aluminosilicate species (i.e., dimer or trimer). A survey of the literature reveals that the difference in the calculated binding energies between different M n+ can be used to explain many literature observations associated with the impact of metal cations on materials properties (e.g., glass corrosion, mineral dissolution, and ionic transport). Analysis of all the DFT-derived binding energies reveals that the correlation between these energy values and the ionic potential and field strength of the metal cations are well captured by 2nd order polynomial functions ( R 2 values of 0.99–1.00 are achieved for regressions). Given that the ionic potential and field strength of a given metal cation can be readily estimated using well-tabulated ionic radii available in the literature, these simple polynomial functions would enable rapid estimation of the binding energies of a much wider range of cations with the aluminosilicate dimer/trimer, providing guidance on the design and optimization of sustainable cements and aluminosilicate glasses and their associated applications. Finally, the limitations associated with using these simple model systems to model complex interactions are also discussed.

Gong, Kai↗
DOE OSTI2021

Methods and Comparisons Between Computer Vision and Radar Based Vehicle Location

Measuring vehicle locations relative to a driver's vehicle is a critical component in the analysis of driving data from both postanalysis (such as in naturalistic driving studies) or in autonomous vehicle navigation. In this work we describe a method to estimate vehicle positions from a forward-looking video camera using intrinsic camera calibration, estimates of extrinsic parameters, and a convolutional neural network trained to detect and locate vehicles in video data. We compare the measurements we achieve with this method with ground truth and with radar data available from a naturalistic driving study. We identify regions where video is preferred, where radar is preferred, and explore trade-offs between the two methods in regions where the preference is more ambiguous. We describe applications of these measurements for transportation analysis.

Aykac, Deniz↗
NASA NTRS2012

NASA Tech Briefs, June 2012

Topics covered include: iGlobe Interactive Visualization and Analysis of Spatial Data; Broad-Bandwidth FPGA-Based Digital Polyphase Spectrometer; Small Aircraft Data Distribution System; Earth Science Datacasting v2.0; Algorithm for Compressing Time-Series Data; Onboard Science and Applications Algorithm for Hyperspectral Data Reduction; Sampling Technique for Robust Odorant Detection Based on MIT RealNose Data; Security Data Warehouse Application; Integrated Laser Characterization, Data Acquisition, and Command and Control Test System; Radiation-Hard SpaceWire/Gigabit Ethernet-Compatible Transponder; Hardware Implementation of Lossless Adaptive Compression of Data From a Hyperspectral Imager; High-Voltage, Low-Power BNC Feedthrough Terminator; SpaceCube Mini; Dichroic Filter for Separating W-Band and Ka-Band; Active Mirror Predictive and Requirement Verification Software (AMP-ReVS); Navigation/Prop Software Suite; Personal Computer Transport Analysis Program; Pressure Ratio to Thermal Environments; Probabilistic Fatigue Damage Program (FATIG); ASCENT Program; JPL Genesis and Rapid Intensification Processes (GRIP) Portal; Data::Downloader; Fault Tolerance Middleware for a Multi-Core System; DspaceOgreTerrain 3D Terrain Visualization Tool; Trick Simulation Environment 07; Geometric Reasoning for Automated Planning; Water Detection Based on Color Variation; Single-Layer, All-Metal Patch Antenna Element with Wide Bandwidth; Scanning Laser Infrared Molecular Spectrometer (SLIMS); Next-Generation Microshutter Arrays for Large-Format Imaging and Spectroscopy; Detection of Carbon Monoxide Using Polymer-Composite Films with a Porphyrin-Functionalized Polypyrrole; Enhanced-Adhesion Multiwalled Carbon Nanotubes on Titanium Substrates for Stray Light Control; Three-Dimensional Porous Particles Composed of Curved, Two-Dimensional, Nano-Sized Layers for Li-Ion Batteries 23 Ultra-Lightweight; and Ultra-Lightweight Nanocomposite Foams and Sandwich Structures for Space Structure Applications.

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