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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 919 records · Page 51

A Combination of Earth Orientation Measurements: SPACE94

A Kalman filter has been used to combine independent measurements of the Earth's orientation taken by the space-geodetic observing techniques of lunar laser ranging, satellite laser ranging, very long baseline interferometry, and the global positioning system. The resulting combination, SPACE94, consists of smoothed, interpolated polar motion and UT1-UTC values spanning October 6.0, 1976 to January 27.0, 1995 at 1-day intervals.

space-geodetic↗

The Cassini Spacecraft: Object Oriented Flight Control Software

The Cassini AACS object-oriented Flight Software is depicted in increasing levels of detail using a Context Diagram, Architecture Diagrams, an Object Diagram for each object, and a Statechart for each object. The detail contained in the diagrams is enhanced and refined during the Requirements and Design Phases of both Subsystem and Software Development. Examples of all the diagrams as well as the criteria for object selection, the advantages of statecharts, and the ease of modifying the design to accommodate changes in scope are described.

object-oriented↗

Autonomous Synthesis of Goal-Oriented Behaviors for Planetary Robotic Sampling

An intelligent robotic architecture that autonomously synthesizes goal-oriented behaviors, while connecting sensing and action in real-time, is presented with applications to loosely defined planetary sampling missions. This architecture is composed of perception and action nets interconneted in closed loops.

perception↗

NASA Engineering and Safety Center Technical Bulletin No. 14-02: Aerodynamic Reaction Control System (RCS) Orientation and Jet Interaction (JI) Model Validation

Careful consideration should be given to placement and orientation of RCS jet thrusters on hypersonic entry vehicles in order to minimize adverse RCS JI. Modern state-of-the-art computational fluid dynamics (CFD) tools should be able to predict the RCS effectiveness and JI accurately when coupled with verification and validation studies, including the use of appropriately designed experimental wind tunnel testing.

Aerodynamic Reaction Control System↗

High-Speed Self-Aligned Focusing Schlieren and Background-Oriented Schlieren with Pulsed Laser Illumination

Laser light sources are commonly used in schlieren-based flow visualization techniques that are in development at NASA Langley Research Center. Of particular interest are high-intensity, low coherence sources that allow for high signal-to-noise schlieren imagery to be acquired without the laser speckle that typically occurs as a result of interference. Results from a self-aligned focusing schlieren system developed at NASA Langley and a background-oriented schlieren system are presented to highlight the effectiveness of these sources.

Schlieren↗

Twenty-Five Years of Background-Oriented Schlieren: Advances and Novel Applications

Since its introduction in the year 2000, background-oriented schlieren (BOS) has become acornerstone technique for visualizing variable-density flows. In this review, we provide a rigorousexamination of the optical principles underpinning BOS and related refractive-index-basedtechniques, complemented by an appendix linking schlieren imaging to Maxwell’s equations.The core sections delve into the practical aspects of BOS, with detailed discussions on imageprocessing algorithms and critical considerations for experimental setups. We then explorerecent advancements and innovations, including extensions of BOS with tomography, dataassimilation, and event-based imaging. Finally, we present notable applications of BOS inchallenging and unconventional environments, showcasing the method’s versatility and offerinspiration for future research directions.

Background-Oriented Schlieren↗

A high fidelity and user-friendly equation-oriented optimization model for carbon capture using a novel water-lean solvent

Research Triangle Institute (RTI) International and SLB have developed a novel water-lean solvent technology for carbon capture, demonstrating low specific reboiler duty (SRD) values at capture rates exceeding 90%. At the Technology Centre Mongstad (TCM) pilot plant, the technology achieved an SRD of 2.55 GJ/t-CO2 at 95% capture, utilizing an intercooler and a 5°C temperature approach in the lean/rich solvent cross exchanger. To meet varying carbon capture targets for Front End Engineering and Design (FEED) studies and to enable real-time optimization and advanced process control, an efficient optimization model is required. This model needs to minimize energy demand for a given capture rate and determine optimal operating parameters in response to fluctuating flue gas conditions. While an existing Aspen Plus simulation model, developed by RTI and SLB, accurately matches TCM plant data, its sequential modular (SM) strategy is too slow for real-time applications due to recycle streams and tight heat integration inherent in solvent-based carbon capture processes. Although an equation-oriented (EO) modeling strategy is more suitable for optimizing these processes, its adoption has been limited by several factors: feature limitations in Aspen Plus EO mode (e.g., lack of balance block support), a less user-friendly interface for variable identification and loop solving, complex troubleshooting of convergence issues, and the necessity for accurate initial values.

carbon capture↗

Multimodal Characterization of Crystal Structure and Formation in Rubrene Thin Films Reveals Erasure of Orientational Discontinuities

Abstract Multimodal multiscale characterization provide opportunities to study organic semiconducting thin films with multiple length scales, across multiple platforms, to elucidate crystallization mechanisms of the various microstructures that impact functionality. With polarized scanning transmission X‐ray and 4D‐scanning transmission electron microscopy, hybrid crystalline structures in rubrene thin films in which large crystalline domains surround a common nucleus and transition to a spherulite morphology at larger radii is observed. These high‐resolution techniques reveal how azimuthal orientational discontinuities at smaller radii are erased as spherulite morphology takes hold. In situ crystallization in the films with optical microscopy is also captured, discovering the importance of considering the initial temperature increase of a film during thermal annealing over the crystallization timescale. This kinetic information of the radial crystallization rate and of corresponding film heating kinetics is used to estimate the temperature at which the larger crystalline regions transition into a spherulite. By combining the results obtained from the different characterization modes, it is learned that thermal conditions can sensitively affect the crystallization of rubrene and other organic thin films. The observations suggest opportunities for more complex temperature‐dependent processing to maximize hybrid structures’ functionality in organic thin films and demonstrate that multimodal studies deepen the understanding of structure‐function dynamics.

Tan, Jenna A.↗

Atomistic Mechanisms of the Crystallographic Orientation‐Dependent Cu 1.8 S Conductive Channel Formation in Cu 2 S‐Based Memristors

Achieving multiple types of resistive switching in a single material with controlled ionic motion is a key challenge in neuromorphic computing, traditionally addressed by combining materials with distinct switching behaviors. Here, Cu 2-x S is identified as a promising candidate to overcome this limitation due to its hierarchical phase transitions. Using in situ biasing experiments, reversible and non-reversible phase transitions (and resistive switching) are demonstrated in γ-Cu 2 S by controlling the compliance current. The formation of parallel high-digenite Cu 1.8 S channels, orientated along the γ-Cu 2 S [201] crystallographic direction, drives the nonvolatile resistive switching. These channels emerge via an intermediate δ-Cu 2 S phase and are stabilized at room temperature by residual strains, alongside β-Cu 2 S phase. In conclusion, the work clarifies the complex, electrically triggered phase transformations in γ-Cu 2 S, and highlights the potential of Cu 2-x S as a versatile material for neuromorphic computing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Scan‐Path‐ and Initial‐State‐Dependent Superdomain Switching in (111)‐Oriented PZT

Polarization switching in ferroelectric materials arises from the collective evolution of complex domain hierarchies, yet deterministic control over these processes remains challenging. Here, we investigate scan-path- and initial-state-dependent switching in epitaxial (111)-oriented PbZr 0.2 Ti 0.8 O 3 thin films using automated AFM-based writing combined with quantitative 3D piezoresponse force microscopy. We show that the scan trajectory acts as an experimentally accessible control parameter for superdomain formation. Box-in-box raster scans reproducibly stabilize ordered stripe superdomains with a reduced subset of symmetry-allowed variants, whereas spiral trajectories generate frustrated mixed-variant states with a broader distribution of final microstructures. Automated pulsing experiments further show that the local superdomain configuration at the nucleation site strongly influences the final written morphology. Phase-field modeling qualitatively reproduces the contrast between representative initial-state geometries and supports the role of compatibility constraints among competing ferroelastic pathways. These findings establish scan-path and initial-state engineering as practical handles to program ferroic order in hierarchical ferroelectric domain structures.

Vasudevan, Rama K. [Oak Ridge National Laboratory ↗

Application of an equation‐oriented framework to formulate and estimate parameters of chemical looping reaction models

Abstract Accurate, predictive reaction models are critical for the design and optimization of chemical looping combustion (CLC) reactors. The formulation and estimation of kinetic parameters for these reaction models using a first‐principles equation‐oriented (EO) approach is particularly beneficial as large amounts of experimental data spanning process‐relevant conditions can be used to estimate parameters in a computationally tractable way. This work demonstrates the application of a novel EO framework to develop reduction reaction kinetic models of an iron‐based CLC oxygen carrier (OC). An optimization problem is formulated to estimate kinetic parameters that provide the best fit to the experimental data. The model predicts the state of the OC with mean square error values of 2.5%–4.4% across the full range of validation data, including multiple reduction cycles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A complementarity-based vapor-liquid equilibrium formulation for equation-oriented simulation and optimization

Vapor-Liquid Equilibrium (VLE) is a cornerstone of computer aided process engineering (CAPE). Embedded within process system models, VLE calculations are inherently procedural with non-smooth behavior that frequently require discrete decisions. Traditionally, these features resist the incorporation of VLE within efficient, large-scale equation-oriented (EO) process simulation and optimization strategies. On the other hand, recent reformulation of VLE models through the incorporation of complementarity constraints has broadened its scope to deal seamlessly with phase transitions and even supercritical excursions in process simulation and optimization. In this study, we extend these VLE complementarity models to EO frameworks where procedural thermodynamic property libraries are still required. Here, we develop an efficient, non-intrusive, and intuitive “square-flash” equation system that has been implemented within the IDAES Integrated Platform (IDAES-IP). Further, the effectiveness of this modular approach is demonstrated on case studies for non-ideal flash calculations and distillation optimization with disappearing phases and supercritical transitions.

97 MATHEMATICS AND COMPUTING↗

Oriented, One‐Dimensional Tin Dioxide–Titanium Dioxide Composites as Anode Materials for Lithium‐Ion Batteries

Abstract Highly oriented columnar nanostructures of tin dioxide (SnO 2 ) and a composite tin dioxide material with a thin titanium dioxide coating (SnO 2 –TiO 2 ) are fabricated using aerosol chemical vapor deposition (ACVD) and are utilized as high‐capacity anode materials in lithium‐ion batteries. The SnO 2 nanostructures exhibit a specific capacity of 445 mAh g −1 after 100 cycles at a rate of 1 C, but experience substantial capacity fade at a charge rate of 2 C, and a capacity of 251 mAh g −1 after 100 cycles. To enhance the capacity retention a coating of TiO 2 is applied to the electrodes. Comparatively, the SnO 2 –TiO 2 electrode exhibits a capacity of 497 mAh g −1 after 100 cycles at a charge rate of 2 C. Diffusion measurements indicate that no inhibition of lithium diffusion occurs due to a thin TiO 2 coating. The superior capacity retention of the composite electrode may be attributed to the protection of SnO 2 from irreversible reactions using a TiO 2 coating.

Kacica, Clayton T.↗

Conformational analysis of diols: Role of the linker on the relative orientation of hydroxyl groups

The conformational flexibility of three covalently linked alcohol dimers, composed of xanthenol units and diphenyl ether (DPE(OH) 2 ), 9,9-dimethylxanthene (XAN(OH) 2 ), or biphenyl (BP(OH) 2 ) linkers was studied. The relative orientation of the two alcohol units (In-In, In-Out, and Out-Out conformers) in the model compounds was investigated using NMR spectroscopy, X-ray crystallography, and density functional theory (DFT) calculations. Diols containing rigid linkers, such as XAN(OH) 2 and BP(OH) 2 , favor the formation of an In-In conformer in solution, and the interconversion between different conformers was slow on the NMR timescale. Interestingly, XAN(OH) 2 adopted an In-Out conformation in the crystalline solid state, possibly due to additional intermolecular interactions. More flexible DPE(OH) 2 was found to freely interconvert on the NMR timescale. This study provides important structural information that can be utilized in catalysis, metal-ligation, and other applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Coconut oil derived five‐component synthetic oviposition deterrent for oriental fruit fly, Bactrocera dorsalis

Abstract BACKGROUND Bactrocera dorsalis, oriental fruit fly (OFF), is one of the most destructive agricultural pests. Although bait sprays can effectively control OFF,resistance development has been a concern. We evaluated the oviposition deterrent activity of coconut free fatty acids (CFFA), a mixture of eight coconut oil‐derived fatty acids known to repel hematophagous insects and deter their feeding and oviposition, against OFF females. RESULTS In laboratory 72‐h two‐choice assays using guava‐juice infused‐agar as an oviposition substrate, CFFA deterred OFF oviposition in a dose‐dependent manner with the greatest reduction of 87% at 20 mg dose compared to the control. When the eight CFFA components were tested individually, four compounds (caprylic, capric, oleic, and linoleic acids) significantly reduced OFF oviposition (‘negative‐compounds’), two (lauric and myristic acids) had no effect (‘neutral‐compounds’), and two (palmitic and stearic acids) stimulated OFF oviposition (‘positive‐compounds’). In two‐choice tests, the ‘negative‐compounds’ blend failed to elicit the same level of oviposition reduction as CFFA at equivalent concentrations found in CFFA. Adding the two ‘neutral‐compounds’ recovered the oviposition deterrence similar to CFFA. Subsequent subtraction tests showed that four ‘negative‐compounds’ plus lauric acid was as effective as CFFA in reducing OFF oviposition in guava‐juice agar. This five‐component key‐deterrent blend also reduced OFF oviposition by 95 and 72% on papaya and tomato fruit, respectively. CONCLUSION CFFA acts as an oviposition deterrent for OFF. Given that CFFA compounds are generally regarded as safe for humans and the environment, CFFA and its bioactive components have potential use in behavioral control strategies against OFF. © 2023 Society of Chemical Industry. This article has been contributed to by U.S. Government employees and their work is in the public domain in the USA.

Agriculture↗

Effects of Surface Orientation and Termination Plane on Glass‐to‐Crystal Transformation of Lithium Disilicate by Molecular Dynamics Simulations

Glass‐to‐crystal transformation of lithium disilicate is studied using molecular dynamics simulations using an effective partial charge potential. The structural evolution of the interface between glassy and crystalline lithium disilicate is analyzed to simulate crystallization of glass on pre‐existing crystal seeds. Besides previously used atomic number density, the distribution of Q n species (Si tetrahedra with n bridging oxygen) is shown to be an effective parameter for following this transformation quantitatively. The early stages of crystal growth are significantly affected by the orientation and termination of the surface of adjacent crystal, as indicated by calculated atomic density, partial ordering, atomic segregation, and an increase in Q 3 concentration. In particular, under‐coordinated Si within the outer crystal layer is found to be most effective in transforming the amorphous structure toward crystallinity. The increase in Q 3 in the glass close to interface region most clearly shows the initial stage of lithium disilicate crystal growth.

Sun, Wei↗

Identifying build orientation of 3D-printed materials using convolutional neural networks

The advent of additive manufacturing (AM) processes brought with it intense research into various materials and manufacturing processes. At the same time, the need for validation of material properties, as well as study and forecasting of aging, has arisen. Modern imaging techniques, like X-ray computed tomography (XCT), are a convenient vehicle for such studies; however, the large datasets they produce require novel analysis techniques to efficiently extract critical information. Here, we present our work on developing a 3D extension of the ResNet architecture to distinguish between two build orientations of tensile bars produced by AM. Using only information from XCT, our method achieves a 99.3% correct classification at a misidentification of 1%.

36 MATERIALS SCIENCE↗