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NASA NTRS2000

Solar Physics

The areas of emphasis are: (1) develop theoretical models of the transient release of magnetic energy in the solar atmosphere, e.g., in solar flares, eruptive prominences, coronal mass ejections, etc.; (2) investigate the role of the Sun's magnetic field in the structuring of solar corona by the development of three-dimensional numerical models that describe the field configuration at various heights in the solar atmosphere by extrapolating the field at the photospheric level; (3) develop numerical models to investigate the physical parameters obtained by the ULYSSES mission; (4) develop numerical and theoretical models to investigate solar activity effects on the solar wind characteristics for the establishment of the solar-interplanetary transmission line; and (5) develop new instruments to measure solar magnetic fields and other features in the photosphere, chromosphere transition region and corona. We focused our investigation on the fundamental physical processes in solar atmosphere which directly effect our Planet Earth. The overall goal is to establish the physical process for the Sun-Earth connections.

Wu, S. T.↗

DOE OSTI2022

Toward extreme high-temperature supercritical CO 2 power cycles: Leakage characterization of ceramic 3D-printed heat exchangers

We report future supercritical carbon dioxide (sCO 2 ) Brayton power cycles demand high-performance gas-to-gas heat exchangers (HXs) operating under extreme temperature and pressure conditions at which most existing superalloy materials fail to function safely. Ceramic HXs are deemed excellent candidates for advanced sCO 2 power plants as they can withstand high-temperature working environments. Particularly, ceramic 3D printing enables compact HX topologies employing complex and efficient heat transfer features. However, ceramic 3D-printed walls separating hot and cold flow streams are susceptible to a through-plane leakage inherent to a powder-based manufacturing process, including ceramic 3D printing. A potential leakage through ceramic separating walls poses a significant challenge in developing reliable ceramic 3D-printed HXs and could deteriorate thermal performance. In this study, various parameters, including feedstock slurry, 3D-printing direction, and post-processing conditions, are considered, for the first time, to characterize the argon gas leakage rate associated with alumina 3D-printed parts. Three 3D-printed ceramic structures of flat plates, curved tubes, and small-scale plate-and-frame HXs with various thicknesses are systematically studied to determine powder and ceramic 3D-printing conditions to eliminate the through-plane leakage. The results showed that an alumina 3D-printed plate with a thickness of 0.75 mm demonstrates a permeability of 6 x 10 -4 milli-darcy. An alumina 3D-printed tube with a wall thickness of 0.9 mm revealed a permeability of 9.6 x 10 -7 milli-darcy. Furthermore, leakage test results of functional 3D-printed modules showed a dependency on the 3D-printing direction. Particularly, alumina cell-scale HXs employing 1.5-mm-thick horizontal and vertical 3D-printed separating walls demonstrated impermeability and gas permeability of 7.2 x 10 -5 millidarcy, respectively. Insights gained from the present study facilitate the development of complex ceramic 3D-printed HXs and other balance of plant components for next-generation high-temperature high-pressure sCO 2 power cycles.

36 MATERIALS SCIENCE↗

DOE OSTI2021

The Application of Pulse Radiolysis to the Study of Ni(I) Intermediates in Ni-Catalyzed Cross-Coupling Reactions

Here we report the use of pulse radiolysis and spectroelectrochemistry to generate low-valent nickel intermediates relevant to synthetically important Ni-catalyzed cross-coupling reactions and interrogate their reactivities toward comproportionation and oxidative addition processes. Pulse radiolysis provided a direct means to generate singly reduced [(dtbbpy)NiBr], enabling the identification of a rapid Ni(0)/Ni(II) comproportionation process taking place under synthetically relevant electrolysis conditions. Furthermore, this approach also permitted the direct measurement of Ni(I) oxidative addition rates with electronically differentiated aryl iodide electrophiles (k OA = 1.3 × 10 4 –2.4 × 10 5 M –1 s –1 ), an elementary organometallic step often proposed in nickel-catalyzed cross-coupling reactions. Together, these results hold implications for a number of Ni-catalyzed cross-coupling processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2023

The Sensitivity of the Equatorial Pacific ODZ to Particulate Organic Matter Remineralization in A Climate Model Under Pre-Industrial Conditions

Marine oxygen plays a fundamental role in regulating the transfer of organic carbon and nutrients to their dissolved inorganic forms, serving as the terminal electron acceptor for heterotrophic respiration. Oxygen can become limiting to these processes in coastal and open-ocean oxygen deficient zones (ODZs). The maintenance of ODZs depends on the balance between physical processes such as ventilation and biogeochemical processes such as remineralization. These two processes act in opposing directions on ODZs, with ventilation responsible for transporting oxygen from the surface, where it is near saturation with the partial pressure of O2 in the atmosphere, to deeper oxygen-depleted layers, and remineralization acting to consume oxygen through biogeochemical processes such as microbial degradation throughout the water column. Remineralization is represented in all CMIP6 models, but the actual parameterizations, as well as their magnitude, are widely varying. In this study, we examine the sensitivity to remineralization of the equatorial Pacific ODZ O2 ol/kg) in a model; the NASA GISS Ocean Biogeochemical Model (NOBM-G) embedded in the NASA-GISS coupled atmosphere-ocean model. We find that increasing the remineralization rate shoals the ODZ onset depth (i.e. the regionally averaged upper bound of the ODZ), and decreases ODZ volume and regional-averaged thickness. Changes in biological consumption and vertical convergence of oxygen are identified as the primary contributors to changes in ODZ onset depth. ODZ thickness is mainly influenced by the shoaling of the bottom boundary of the ODZ, which decreases with maximum remineralization rate due to decreasing oxygen consumption and increasing horizontal oxygen convergence in deep waters. On the other hand, vertically-averaged ODZ area has a more complex, non-monotonic relationship with maximum remineralization rate. While these findings suggest an important role for remineralization in determining the shape of the ODZ in our model, the relative importance of remineralization vs. other physical parameterizations remains to be established. While our results reflect the structure of our ocean biogeochemical model, the relationship of remineralization to ODZ characteristics in other models should be examined to better inform model inter-comparisons.

Oxygen-deficient zone↗

NASA NTRS2017

Application of Temperature-Controlled Thermal Atomization for Printing Electronics in Space

Additive Manufacturing (AM) is a technology that builds three dimensional objects by adding material layer-upon-layer throughout the fabrication process. The Electrical, Electronic and Electromechanical (EEE) parts packaging group at Marshall Space Flight Center (MSFC) is investigating how various AM and 3D printing processes can be adapted to the microgravity environment of space to enable on demand manufacturing of electronics. The current state-of-the art processes for accomplishing the task of printing electronics through non-contact, direct-write means rely heavily on the process of atomization of liquid inks into fine aerosols to be delivered ultimately to a machine's print head and through its nozzle. As a result of cumulative International Space Station (ISS) research into the behaviors of fluids in zero-gravity, our experience leads us to conclude that the direct adaptation of conventional atomization processes will likely fall short and alternative approaches will need to be explored. In this report, we investigate the development of an alternative approach to atomizing electronic materials by way of thermal atomization, to be used in place of conventional aerosol generation and delivery processes for printing electronics in space.

Wu, Chih-Hao↗

DOE OSTI2026

Improving ProtoDUNE pion cross-section measurements with NuGraph Michel-electron tagging

Understanding hadron-argon interactions is essential for precise neutrino energy reconstruction and final-state interaction modeling in liquid-argon time projection chamber (LArTPC) experiments such as DUNE. In particular, pion absorption and charge-exchange processes constitute significant sources of systematic uncertainty in neutrino oscillation measurements. ProtoDUNE-SP, a large-scale LArTPC prototype operated at the CERN Neutrino Platform and exposed to charged-particle test beams in the few-GeV range, enables direct measurements of these processes. This work focuses on the measurement of differential cross sections for pion absorption and charge exchange using the 2 GeV/c pion beam data from the ProtoDUNE-SP run. A key component of this analysis is the identification of Michel electrons from $\pi \rightarrow \mu \rightarrow e$ decay chains, which helps separate different interaction topologies and improves background rejection. Michel electron identification will also assist in reliably calibrating the electromagnetic response in ProtoDUNE-SP data and for the future DUNE detectors. In this analysis, we apply NuGraph to identify Michel electrons. NuGraph is a graph neural network that models detector hits as nodes connected by spatial and temporal edges for particle and topology classification in LArTPC detectors. We first benchmark NuGraph’s Michel electron classification performance using ICEBERG data, a small-scale LArTPC prototype used for DUNE electronics and reconstruction development, and then transfer the approach to ProtoDUNE-SP. This poster presents the analysis strategy, NuGraph-based classification studies, and discusses how these developments are expected to improve the pion cross-section measurement.

Razafinime, Soamasina Herilala [Cincinnati U.] (OR↗

DOE OSTI2024

Development of a Nuclear Fuel Dissolution Monitor Based on Raman Spectroscopy

The processing of spent nuclear fuel and other nuclear materials is a critical component of nuclear material management with implications for global security. The first step of fuel processing is dissolution, with several charges of fuel sequentially added to a batch of solvent. The incomplete dissolution of a charge precludes the addition of the next charge. As the dissolution takes place in a heated, highly corrosive and radiological vessel, direct monitoring of the process is not possible. We discuss the use of Raman spectroscopy to indirectly monitor dissolution through an analysis of the gaseous emissions from the dissolver. Challenges associated with the implementation of Raman spectroscopy include the composition and physical characteristics of the offgas stream and the impact of operating conditions. Nonetheless, we observed that NO2 concentrations serve as a reliable indicator of process activity and correlate to the amount of fuel material that remains undissolved. These results demonstrate the promise of the method for monitoring nuclear material dissolution.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2026

TRISO Spent Nuclear Fuel Recycling or Waste Reduction Using SRNL Vapor Digestion Technology – 25635

There is a renewed interest in advanced reactors, including high-temperature gas cooled reactors (HTGRs). Tri-structural isotropic (TRISO) fuel is being used in many HTGR designs, whether as SMRs or microreactors. However, TRISO-based HTGRs discharge the largest volume of used fuel per megawatt-hour of energy produced compared to other reactors. An order of magnitude reduction or more in the volume of SNF could be realized if the TRISO particles were separated from the graphite moderator and the carbon dispositioned as LLW. The Savannah River National Laboratory (SRNL) has a patented technology readiness level (TRL) 4/5 vapor digestion process for separating nuclear-grade graphite from HTGR SNF. The SRNL process is based on the reaction of NOx species with carbon to form CO2. Because NOx species are several orders of magnitude more reactive with graphite than oxygen, the process can operate at lower temperatures with uncrushed HTGR pebbles or prismatic blocks. Because the fuel elements do not need to be crushed and the graphite is digested using a vapor-based process, the potential for damaging the TRISO particles is much reduced. The DOE Office of Technology Transitions (OTT) is funding SRNL and the University of South Carolina at Columbia to close certain gaps that exist within the technology which impede its direct application to the processing of commercial TRISO-based SNF coming from HTGR advanced reactors.

Pierce, Robert [Savannah River National Laboratory↗

DOE OSTI2020

Porous cage-derived nanomaterial inks for direct and internal three-dimensional printing

The convergence of 3D printing techniques and nanomaterials is generating a compelling opportunity space to create advanced materials with multiscale structural control and hierarchical functionalities. While most nanoparticles consist of a dense material, less attention has been payed to 3D printing of nanoparticles with intrinsic porosity. Here, we combine ultrasmall (about 10 nm) silica nanocages with digital light processing technique for the direct 3D printing of hierarchically porous parts with arbitrary shapes, as well as tunable internal structures and high surface area. Thanks to the versatile and orthogonal cage surface modifications, we show how this approach can be applied for the implementation and positioning of functionalities throughout 3D printed objects. Furthermore, taking advantage of the internal porosity of the printed parts, an internal printing approach is proposed for the localized deposition of a guest material within a host matrix, enabling complex 3D material designs.

36 MATERIALS SCIENCE↗

NASA NTRS1993

A modified approach to controller partitioning

The idea of computing a decentralized control law for the integrated flight/propulsion control of an aircraft by partitioning a given centralized controller is investigated. An existing controller partitioning methodology is described, and a modified approach is proposed with the objective of simplifying the associated controller approximation problem. Under the existing approach, the decentralized control structure is a variable in the partitioning process; by contrast, the modified approach assumes that the structure is fixed a priori. Hence, the centralized controller design may take the decentralized control structure into account. Specifically, the centralized controller may be designed to include all the same inputs and outputs as the decentralized controller; then, the two controllers may be compared directly, simplifying the partitioning process considerably. Following the modified approach, a centralized controller is designed for an example aircraft mode. The design includes all the inputs and outputs to be used in a specified decentralized control structure. However, it is shown that the resulting centralized controller is not well suited for approximation by a decentralized controller of the given structure. The results indicate that it is not practical in general to cast the controller partitioning problem as a direct controller approximation problem.

Garg, Sanjay↗

DOE OSTI2026

Direct Observation of Ultrafast Defect-Bound and Free Exciton Dynamics in Defect-Engineered WS 2 Monolayers

Defects in two-dimensional transition metal dichalcogenides (TMDCs) broadly affect their optical and electronic properties. Directly capturing the ultrafast processes of exciton trapping and defect-bound exciton formation is crucial for understanding and advancing defect-mediated optoelectronics and quantum technologies. However, the weak transient optical absorption of defect-bound excitons has limited their experimental observation to date. Here, we report the direct observation of the ultrafast dynamics of defect-bound excitons in monolayer WS 2 crystals with a high density of monosulfur vacancies (V S ) and W-site defect complexes (S W V S ) resulting from synthesis by alkali metal halide-assisted chemical vapor deposition. The dynamics of excitons bound to these defects, along with their coherent interactions with free excitons, are elucidated using ultrafast optical spectroscopy. Using above band-edge photoexcitation, we find that both free and defect-bound excitons simultaneously form within 300 fs from hot carrier relaxation. The defect-bound excitons exhibit shorter lifetimes than free excitons, leading to a population difference of the corresponding excitonic states and free exciton trapping within a 1–100 ps window. Band-edge photoexcitation of free and defect-bound exciton states reveals ultrafast interconversion within ∼150 fs (comparable to our temporal resolution), indicating possible coherent coupling between these states. We further demonstrate efficient up-conversion of defect-bound excitons to free excitons with photon energies up to ∼300 meV below the free exciton resonance. In conclusion, these findings provide insights into the ultrafast dynamics of defect-bound excitons in TMDCs and their coupling with free excitons, which are relevant to defect-engineered optoelectronic, quantum photonic, and valleytronic applications.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Functional role for stable microtubules in lens fiber cell elongation

Highlights: • N-cadherin junctions link to stable microtubules in elongating lens fiber cells. • Stabilized microtubules are essential to the process of fiber cell elongation. • Formation/stabilization of epithelial fiber interface is microtubule dependent. • Loss of stable microtubules in the developing lens induces myosin activation. • Disassembly of stable microtubules alters N-cadherin junction assembly. • Stable microtubules required for normal lens fiber cell morphogenesis. The process of tissue morphogenesis, especially for tissues reliant on the establishment of a specific cytoarchitecture for their functionality, depends a balanced interplay between cytoskeletal elements and their interactions with cell adhesion molecules. The microtubule cytoskeleton, which has many roles in the cell, is a determinant of directional cell migration, a process that underlies many aspects of development. We investigated the role of microtubules in development of the lens, a tissue where cell elongation underlies morphogenesis. Our studies with the microtubule depolymerizing agent nocodazole revealed an essential function for the acetylated population of stable microtubules in the elongation of lens fiber cells, which was linked to their regulation of the activation state of myosin. Suppressing myosin activation with the inhibitor blebbistatin could attenuate the loss of acetylated microtubules by nocodazole and rescue the effect of this microtubule depolymerization agent on both fiber cell elongation and lens integrity. Our results also suggest that acetylated microtubules impact lens morphogenesis through their interaction with N-cadherin junctions, with which they specifically associate in the region where lens fiber cell elongate. Disruption of the stable microtubule network increased N-cadherin junctional organization along lateral borders of differentiating lens fiber cells, which was prevented by suppression of myosin activity. These results reveal a role for the stable microtubule population in lens fiber cell elongation, acting in tandem with N-cadherin cell-cell junctions and the actomyosin network, giving insight into the cooperative role these systems play in tissue morphogenesis.

60 APPLIED LIFE SCIENCES↗

NASA NTRS2003

Electron Beam Freeform Fabrication: A Rapid Metal Deposition Process

Manufacturing of structural metal parts directly from computer aided design (CAD) data has been investigated by numerous researchers over the past decade. Researchers at NASA Langley REsearch Center are developing a new solid freeform fabrication process, electron beam freeform fabrication (EBF), as a rapid metal deposition process that works efficiently with a variety of weldable alloys. The EBF process introduces metal wire feedstock into a molten pool that is created and sustained using a focused electron beam in a vacuum environment. Thus far, this technique has been demonstrated on aluminum and titanium alloys of interest for aerospace structural applications nickel and ferrous based alloys are also planned. Deposits resulting from 2219 aluminum demonstrations have exhibited a range of grain morphologies depending upon the deposition parameters. These materials ave exhibited excellent tensile properties comparable to typical handbook data for wrought plate product after post-processing heat treatments. The EBF process is capable of bulk metal deposition at deposition rated in excess of 2500 cubic centimeters per hour (150 cubic inches per our) or finer detail at lower deposition rates, depending upon the desired application. This process offers the potential for rapidly adding structural details to simpler cast or forged structures rather than the conventional approach of machining large volumes of chips to produce a monolithic metallic structure. Selective addition of metal onto simpler blanks of material can have a significant effect on lead time reduction and lower material and machining costs.

Taminger, Karen M. B.↗

DOE OSTI2022

Towards the ionizing radiation induced bond dissociation mechanism in oxygen, water, guanine and DNA fragmentation: a density functional theory simulation

The radiation-induced damages in bio-molecules are ubiquitous processes in radiotherapy and radio-biology, and critical to space projects. In this study, we present a precise quantification of the fragmentation mechanisms of deoxyribonucleic acid (DNA) and the molecules surrounding DNA such as oxygen and water under non-equilibrium conditions using the first-principle calculations based on density functional theory (DFT). Our results reveal the structural stability of DNA bases and backbone that withstand up to a combined threshold of charge and hydrogen abstraction owing to simultaneously direct and indirect ionization processes. We show the hydrogen contents of the molecules significantly control the stability in the presence of radiation. This study provides comprehensive information on the impact of the direct and indirect induced bond dissociations and DNA damage and introduces a systematic methodology for fine-tuning the input parameters necessary for the large-scale Monte Carlo simulations of radio-biological responses and mitigation of detrimental effects of ionizing radiation.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Heat release analysis for rapid compression machines: Challenges and opportunities

Heat release analysis (HRA) is commonly used in combustion studies to derive understandings of chemical and physical processes in situations where direct measurement is not practical. In internal combustion engines, it is typically based on crank-angle resolved pressure diagnostics. However, it has not been applied extensively to rapid compression machine datasets. There are various challenges associated with rigorous application of HRA, including a reasonable accounting of physical processes that occur during the test period, such as heat loss. Limitations associated with transducer robustness and data acquisition system fidelity also exist. On the other hand, there is potential to extract a wealth of information from pressure-time histories via HRA, such as quantifying the evolution and trends of preliminary exothermicity, e.g., low- and intermediate-temperature heat release, across a range of thermodynamic conditions; detecting the existence of non-uniform ignition phenomena during a test; and providing additional targets for the evaluation and improvement of chemical kinetic models. Finally, this work discusses such opportunities, and some approaches towards resolving various challenges.

42 ENGINEERING↗

NASA NTRS1991

Stratospheric processes: Observations and interpretation

Explaining the observed ozone trends discussed in an earlier update and predicting future trends requires an understanding of the stratospheric processes that affect ozone. Stratospheric processes occur on both large and small spatial scales and over both long and short periods of time. Because these diverse processes interact with each other, only in rare cases can individual processes be studied by direct observation. Generally the cause and effect relationships for ozone changes were established by comparisons between observations and model simulations. Increasingly, these comparisons rely on the developing, observed relationships among trace gases and dynamical quantities to initialize and constrain the simulations. The goal of this discussion of stratospheric processes is to describe the causes for the observed ozone trends as they are currently understood. At present, we understand with considerable confidence the stratospheric processes responsible for the Antarctic ozone hole but are only beginning to understand the causes of the ozone trends at middle latitudes. Even though the causes of the ozone trends at middle latitudes were not clearly determined, it is likely that they, just as those over Antarctica, involved chlorine and bromine chemistry that was enhanced by heterogeneous processes. This discussion generally presents only an update of the observations that have occurred for stratospheric processes since the last assessment (World Meteorological Organization (WMO), 1990), and is not a complete review of all the new information about stratospheric processes. It begins with an update of the previous assessment of polar stratospheres (WMO, 1990), followed by a discussion on the possible causes for the ozone trends at middle latitudes and on the effects of bromine and of volcanoes.

Brune, William H.↗

DOE OSTI2023

Temporally continuous thermofluidic–thermomechanical modeling framework for metal additive manufacturing

Additive manufacturing (AM) is known to generate large magnitudes of residual stresses (RS) within builds due to steep and localized thermal gradients. In the current state of commercial AM technology, manufacturers generally perform heat treatments in effort to reduce the generated RS and its detrimental effects on part distortion and in-service failure. Computational models that effectively simulate the deposition process can provide valuable insights to improve RS distributions. Accordingly, it is common to employ Computational fluid dynamics (CFD) models or finite element (FE) models. While CFD can predict geometric and thermal-fluid behavior, it cannot predict the structural response (e.g., stress–strain) behavior. On the other hand, an FE model can predict mechanical behavior, but it lacks the ability to predict geometric and fluid behavior. Thus, an effectively integrated thermofluidic–thermomechanical modeling framework that exploits the benefits of both techniques while avoiding their respective limitations can offer valuable predictive capability for AM processes. In contrast to previously published efforts, the work herein describes a one-way coupled CFD-FEA framework that abandons major simplifying assumptions, such as geometric steady-state conditions, the absence of material plasticity, and the lack of detailed RS evolution/accumulation during deposition, as well as insufficient validation of results. Here, the presented framework is demonstrated for a directed energy deposition (DED) process, and experiments are performed to validate the predicted geometry and RS profile. Both single- and double-layer stainless steel 316L builds are considered. Geometric data is acquired via 3D optical surface scans and X-ray micro-computed tomography, and residual stress is measured using neutron diffraction (ND). Comparisons between the simulations and measurements reveal that the described CFD-FEA framework is effective in capturing the coupled thermomechanical and thermofluidic behaviors of the DED process. The methodology presented is extensible to other metal AM processes, including power bed fusion and wire-feed-based AM.

42 ENGINEERING↗

NASA NTRS1996

Cost Models for MMC Manufacturing Processes

Processes for the manufacture of advanced metal matrix composites are rapidly approaching maturity in the research laboratory and there is growing interest in their transition to industrial production. However, research conducted to date has almost exclusively focused on overcoming the technical barriers to producing high-quality material and little attention has been given to the economical feasibility of these laboratory approaches and process cost issues. A quantitative cost modeling (QCM) approach was developed to address these issues. QCM are cost analysis tools based on predictive process models relating process conditions to the attributes of the final product. An important attribute, of the QCM approach is the ability to predict the sensitivity of material production costs to product quality and to quantitatively explore trade-offs between cost and quality. Applications of the cost models allow more efficient direction of future MMC process technology development and a more accurate assessment of MMC market potential. Cost models were developed for two state-of-the art metal matrix composite (MMC) manufacturing processes: tape casting and plasma spray deposition. Quality and Cost models are presented for both processes and the resulting predicted quality-cost curves are presented and discussed.

Elzey, Dana M.↗