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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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NASA NTRS1987

Adaptive control for flexible space structures with measurement noise

Simulation results are presented to address the problem of measurement noise in the design of adaptive controllers for large flexible space structures. In order to reduce the unrealistically high overall control demand resulting from the presence of leakage terms, a method has been developed for the introduction of noise filters into the adaptive controller while at the same time ensuring the global stability of the adaptive algorithm. A branch filter allows filtering of the output error without introducing phase lag into the adaptive loop. The technique is demonstrated in the simulation of an adaptive payload articulation control for a Space Station model.

Bayard, David S.↗

NASA NTRS2013

Remote Observations of Reentering Spacecraft Including the Space Shuttle Orbiter

Flight measurement is a critical phase in development, validation and certification processes of technologies destined for future civilian and military operational capabilities. This paper focuses on several recent NASA-sponsored remote observations that have provided unique engineering and scientific insights of reentry vehicle flight phenomenology and performance that could not necessarily be obtained with more traditional instrumentation methods such as onboard discrete surface sensors. The missions highlighted include multiple spatially-resolved infrared observations of the NASA Space Shuttle Orbiter during hypersonic reentry from 2009 to 2011, and emission spectroscopy of comparatively small-sized sample return capsules returning from exploration missions. Emphasis has been placed upon identifying the challenges associated with these remote sensing missions with focus on end-to-end aspects that include the initial science objective, selection of the appropriate imaging platform and instrumentation suite, target flight path analysis and acquisition strategy, pre-mission simulations to optimize sensor configuration, logistics and communications during the actual observation. Explored are collaborative opportunities and technology investments required to develop a next-generation quantitative imaging system (i.e., an intelligent sensor and platform) with greater capability, which could more affordably support cross cutting civilian and military flight test needs.

Horvath, Thomas J.↗

DOE OSTI2023

Computationally-driven discovery of second harmonic generation in EuBa 3 (B 3 O 6 ) 3 through inversion symmetry breaking

Nonlinear optical (NLO) crystals with superior properties are significant for advancing laser technologies and applications. Introducing rare earth metals to borates is a promising and effective way to modify the electronic structure of a crystal to improve its optical properties in the visible and ultraviolet range. In this work, we computationally discover inversion symmetry breaking in EuBa 3 (B 3 O 6 ) 3 , which was previously identified as centric, and demonstrate noncentrosymmetry via synthesizing single crystals for the first time by the floating zone method. We determine the correct space group to be P 6¯. The material has a large direct bandgap of 5.56 eV and is transparent down to 250 nm. The complete anisotropic linear and nonlinear optical properties were also investigated with a d 11 of ∼0.52 pm/V for optical second harmonic generation. Further, it is Type I and Type II phase matchable. This work suggests that rare earth metal borates are an excellent crystal family for exploring future deep ultraviolet (DUV) NLO crystals. It also highlights how first principles computations combined with experiments can be used to identify noncentrosymmetric materials that have been wrongly assigned to be centrosymmetric.

He, Jingyang (ORCID:0000000238863659)↗

DOE OSTI2021

Recurrence analysis of friction based dry-couplant ultrasonic Lamb waves in plate-like structures

Here, in this study, the effect of friction on the generation of dry-coupled Lamb waves is experimentally investigated. Recurrence analysis is performed to analyze the complex behavior of friction based dry-coupled Lamb waves. In particular, the effect of the normal force, which is necessary for a stronger dry-coupled Lamb wave generation and the friction, on the transmission of mechanical energy and determinism characteristics of Lamb waves are investigated. The results verify that larger friction coefficient and friction force are crucial for generation and propagation of strong Lamb waves supporting the fact that the main mechanism to transfer mechanical energy using dry-couplant is friction. The sensitivity of Lamb waves to the friction coefficient, highlights the importance of designing specific pads with respect to condition of the surface. Besides, the results show that the normal force and friction coefficient can change the determinism characteristics behavior of multimode Lamb waves. Furthermore, it is shown that the determinism value is sensitive to the friction coefficient and normal force. A similar trend is observed in the determinism values and friction coefficient. In general, a smaller friction coefficient indicates smaller determinism value. Additionally, it is shown that a normal load can change the behavior of a system, as observed from recurrence plots, owing to changes in the Lamb waves trajectories in the phase-space domain. In addition, it is shown that recurrence plots enable the detection of mode transitions in multimode Lamb waves. Recurrence analysis is a complementary tool to frequency domain methods for accurate analysis of multimode Lamb waves behavior.

42 ENGINEERING↗

NASA NTRS1982

Nuclear electric propulsion mission to Neptune

A nuclear electric propulsion (NEP) mission to Neptune is studied. Results of trajectory and propulsion parameter optimization are presented which lead to a selection of key electric propulsion system parameters. Spiral earth escape and spiral capture modes are assumed in the optimization studies. Flight time vs payload for Space Transportation System (STS)/Centaur injection and Triton-aided orbit capture at Neptune are also briefly investigated as methods of improving mission performance. Radiation effects of the earth spiral phase are discussed. The effects of NEP technology on science payloads and mission and system designs are evaluated. NEP is shown to be a very flexible and high performing propulsion technology.

Nock, K. T.↗

NASA NTRS1988

Knowledge acquisition and rapid protyping of an expert system: Dealing with real world problems

The knowledge engineering and rapid prototyping phases of an expert system that does fault handling for a Solid Amine, Water Desorbed CO2 removal assembly for the Environmental Control and Life Support System for space based platforms are addressed. The knowledge acquisition phase for this project was interesting because it could not follow the textbook examples. As a result of this, a variety of methods were used during the knowledge acquisition task. The use of rapid prototyping and the need for a flexible prototype suggested certain types of knowledge representation. By combining various techniques, a representative subset of faults and a method for handling those faults was achieved. The experiences should prove useful for developing future fault handling expert systems under similar constraints.

Bailey, Patrick A.↗

NASA NTRS1997

The Structure and Function of Non-Collagenous Bone Proteins

The long-term goal for this program is to determine the structural and functional relationships of bone proteins and proteins that interact with bone. This information will used to design useful pharmacological compounds that will have a beneficial effect in osteoporotic patients and in the osteoporotic-like effects experienced on long duration space missions. The first phase of this program, funded under a cooperative research agreement with NASA through the Texas Medical Center, aimed to develop powerful recombinant expression systems and purification methods for production of large amounts of target proteins. Proteins expressed in sufficient'amount and purity would be characterized by a variety of structural methods, and made available for crystallization studies. In order to increase the likelihood of crystallization and subsequent high resolution solution of structures, we undertook to develop expression of normal and mutant forms of proteins by bacterial and mammalian cells. In addition to the main goals of this program, we would also be able to provide reagents for other related studies, including development of anti-fibrotic and anti-metastatic therapeutics.

Hook, Magnus↗

NASA NTRS2004

High-Accuracy Surface Figure Measurement of Silicon Mirrors at 80 K

This report describes the equipment, experimental methods, and first results at a new facility for interferometric measurement of cryogenically-cooled spherical mirrors at the Goddard Space Flight Center Optics Branch. The procedure, using standard phase-shifting interferometry, has an standard combined uncertainty of 3.6 nm rms in its representation of the two-dimensional surface figure error at 80, and an uncertainty of plus or minus 1 nm in the rms statistic itself. The first mirror tested was a concave spherical silicon foam-core mirror, with a clear aperture of 120 mm. The optic surface was measured at room temperature using standard absolute techniques; and then the change in surface figure error from room temperature to 80 K was measured. The mirror was cooled within a cryostat. and its surface figure error measured through a fused-silica window. The facility and techniques will be used to measure the surface figure error at 20K of prototype lightweight silicon carbide and Cesic mirrors developed by Galileo Avionica (Italy) for the European Space Agency (ESA).

Blake, Peter↗

NASA NTRS2014

NASA Tech Briefs, March 2014

Topics include: Data Fusion for Global Estimation of Forest Characteristics From Sparse Lidar Data; Debris and Ice Mapping Analysis Tool - Database; Data Acquisition and Processing Software - DAPS; Metal-Assisted Fabrication of Biodegradable Porous Silicon Nanostructures; Post-Growth, In Situ Adhesion of Carbon Nanotubes to a Substrate for Robust CNT Cathodes; Integrated PEMFC Flow Field Design for Gravity-Independent Passive Water Removal; Thermal Mechanical Preparation of Glass Spheres; Mechanistic-Based Multiaxial-Stochastic-Strength Model for Transversely-Isotropic Brittle Materials; Methods for Mitigating Space Radiation Effects, Fault Detection and Correction, and Processing Sensor Data; Compact Ka-Band Antenna Feed with Double Circularly Polarized Capability; Dual-Leadframe Transient Liquid Phase Bonded Power Semiconductor Module Assembly and Bonding Process; Quad First Stage Processor: A Four-Channel Digitizer and Digital Beam-Forming Processor; Protective Sleeve for a Pyrotechnic Reefing Line Cutter; Metabolic Heat Regenerated Temperature Swing Adsorption; CubeSat Deployable Log Periodic Dipole Array; Re-entry Vehicle Shape for Enhanced Performance; NanoRacks-Scale MEMS Gas Chromatograph System; Variable Camber Aerodynamic Control Surfaces and Active Wing Shaping Control; Spacecraft Line-of-Sight Stabilization Using LWIR Earth Signature; Technique for Finding Retro-Reflectors in Flash LIDAR Imagery; Novel Hemispherical Dynamic Camera for EVAs; 360 deg Visual Detection and Object Tracking on an Autonomous Surface Vehicle; Simulation of Charge Carrier Mobility in Conducting Polymers; Observational Data Formatter Using CMOR for CMIP5; Propellant Loading Physics Model for Fault Detection Isolation and Recovery; Probabilistic Guidance for Swarms of Autonomous Agents; Reducing Drift in Stereo Visual Odometry; Future Air-Traffic Management Concepts Evaluation Tool; Examination and A Priori Analysis of a Direct Numerical Simulation Database for High-Pressure Turbulent Flows; and Resource-Constrained Application of Support Vector Machines to Imagery.

Source record↗

DOE OSTI2022

Modeling wave propagation in elastic solids via high-order accurate implicit-mesh discontinuous Galerkin methods

Here, a high-order accurate implicit-mesh discontinuous Galerkin framework for wave propagation in single-phase and bi-phase solids is presented. The framework belongs to the embedded-boundary techniques and its novelty regards the spatial discretization, which enables boundary and interface conditions to be enforced with high-order accuracy on curved embedded geometries. High-order accuracy is achieved via high-order quadrature rules for implicitly-defined domains and boundaries, whilst a cell-merging strategy addresses the presence of small cut cells. The framework is used to discretize the governing equations of elastodynamics, written using a first-order hyperbolic momentum-strain formulation, and an exact Riemann solver is employed to compute the numerical flux at the interface between dissimilar materials with general anisotropic properties. The space-discretized equations are then advanced in time using explicit high-order Runge–Kutta algorithms. Several two- and three-dimensional numerical tests including dynamic adaptive mesh refinement are presented to demonstrate the high-order accuracy and the capability of the method in the elastodynamic analysis of single- and bi-phases solids containing complex geometries.

42 ENGINEERING↗

DOE OSTI2023

Synthesis and Crystal Structure of the Zintl Phases NaSrSb, NaBaSb and NaEuSb

This work details the synthesis and the crystal structures of the ternary compounds NaSrSb, NaBaSb and NaEuSb. They are isostructural and adopt the hexagonal ZrNiAl-type structure (space group P6¯2m; Pearson code hP9). The structure determination in all three cases was performed using single-crystal X-ray diffraction methods. The structure features isolated Sb3– anions arranged in layers stacked along the crystallographic c-axis. In the interstices, alkali and alkaline-earth metal cations are found in tetrahedral and square pyramidal coordination environments, respectively. The formal partitioning of the valence electrons adheres to the valence rules, i.e., Na+Sr2+Sb3–, Na+Ba2+Sb3– and Na+Eu2+Sb3– can be considered as Zintl phases with intrinsic semiconductor behavior. Electronic band structure calculations conducted for NaBaSb are consistent with this notion and show a direct gap of approx. 0.9 eV. Additionally, the calculations hint at possible inverted Dirac cones, a feature that is reminiscent of topological quantum materials.

36 MATERIALS SCIENCE↗

NASA NTRS2006

Spatial Phase Imaging

Frequently, scientists grow crystals by dissolving a protein in a specific liquid solution, and then allowing that solution to evaporate. The methods used next have been, variously, invasive (adding a dye that is absorbed by the protein), destructive (crushing protein/salt-crystal mixtures and observing differences between the crushing of salt and protein), or costly and time-consuming (X-ray crystallography). In contrast to these methods, a new technology for monitoring protein growth, developed in part through NASA Small Business Innovation Research (SBIR) funding from Marshall Space Flight Center, is noninvasive, nondestructive, rapid, and more cost effective than X-ray analysis. The partner for this SBIR, Photon-X, Inc., of Huntsville, Alabama, developed spatial phase imaging technology that can monitor crystal growth in real time and in an automated mode. Spatial phase imaging scans for flaws quickly and produces a 3-D structured image of a crystal, showing volumetric growth analysis for future automated growth.

Source record↗

DOE OSTI2025

Liquid Phase Modeling in Porous Media: Adsorption of Methanol and Ethanol in H-MFI in Condensed Water

Zeolites are used in the chemical and separation industries for their exceptional selectivity, adsorption capacity, regenerability, and stability in gas and liquid phase processing. Here, we developed an explicit solvation method for predicting solvent/condensed phase effects on adsorption free energies in microporous media such as zeolites based on the hybrid quantum mechanical/molecular mechanical free energy perturbation (QM/MM-FEP) technique. Our explicit solvation method for zeolite systems, called eSZS, aims to capture site-specific interactions during the adsorption process at the Brønsted acid sites of H-MFI zeolite while still considering the diverse configuration space of the solvent molecules. This strategy is ideal for chemical reactions or adsorbates that interact with the microporous medium in few distinct adsorbate/transition state configurations, i.e., the harmonic or similar approximations are acceptable for the adsorbate/transition state while such approximations break down for the solvent molecules that require extensive configuration space sampling. In this way, our approach effectively overcomes the limitations of implicit solvation models and classical force field methods for describing solvation effects on chemical reactions within porous materials such as zeolites. Specifically, in this study, we investigated various aspects of our hybrid QM/MM approach, including QM cluster size dependencies in a periodic electrostatically embedded cluster model (PEECM), rules for link atoms at the QM/MM boundary, and functional and basis set considerations for converged and reasonably accurate gas and aqueous phase methanol and ethanol adsorption free energy predictions in H-MFI. For gas phase adsorption of methanol and ethanol in H-MFI at a Brønsted acid site in T12 position, we compute adsorption free energies at 298 K of −0.61 and −0.75 eV, respectively, using a PEECM containing 50 Si and 1 Al atom with ωB97x-D/def2-TZVP level of theory. For solvent effect calculations, we sample the aqueous phase using grand canonical Monte Carlo (GCMC) simulations to (1) obtain a mean field of electrostatic interactions in the reaction system and (2) perform a rigorous free energy perturbation calculation. Similar to the experimentally and computationally observed endergonic solvation effects observed for hydrocarbon adsorption on metal surfaces, we also observe that a condensed aqueous environment destabilizes methanol and ethanol at these acid sites in H-MFI at 298 K. Specifically, the computed solvation free energies of adsorption (ΔΔG solv ) for methanol and ethanol are +0.44 and +0.54 eV, respectively. From this study, it is evident that adsorbates (methanol and ethanol) are competing with water for adsorption space inside the H-MFI zeolite, leading to an endergonic solvation effect. Here, we expect that the endergonic, aqueous solvent effect during adsorption in microporous zeolites is highly tunable by changing the pore size and hydrophobicity of the microporous material as this will affect the water density inside the pore structure.

Adsorption↗

NASA NTRS2012

Low Average Sidelobe Slot Array Antennas for Radiometer Applications

In radiometer applications, it is required to design antennas that meet low average sidelobe levels and low average return loss over a specified frequency bandwidth. It is a challenge to meet such specifications over a frequency range when one uses resonant elements such as waveguide feed slots. In addition to their inherent narrow frequency band performance, the problem is exacerbated due to modeling errors and manufacturing tolerances. There was a need to develop a design methodology to solve the problem. An iterative design procedure was developed by starting with an array architecture, lattice spacing, aperture distribution, waveguide dimensions, etc. The array was designed using Elliott s technique with appropriate values of the total slot conductance in each radiating waveguide, and the total resistance in each feed waveguide. Subsequently, the array performance was analyzed by the full wave method of moments solution to the pertinent integral equations. Monte Carlo simulations were also carried out to account for amplitude and phase errors introduced for the aperture distribution due to modeling errors as well as manufacturing tolerances. If the design margins for the average sidelobe level and the average return loss were not adequate, array architecture, lattice spacing, aperture distribution, and waveguide dimensions were varied in subsequent iterations. Once the design margins were found to be adequate, the iteration was stopped and a good design was achieved. A symmetric array architecture was found to meet the design specification with adequate margin. The specifications were near 40 dB for angular regions beyond 30 degrees from broadside. Separable Taylor distribution with nbar=4 and 35 dB sidelobe specification was chosen for each principal plane. A non-separable distribution obtained by the genetic algorithm was found to have similar characteristics. The element spacing was obtained to provide the required beamwidth and close to a null in the E-plane end-fire direction. Because of the alternating slot offsets, grating lobes called butterfly lobes are produced in non-principal planes close to the H-plane. An attempt to reduce the influence of such grating lobes resulted in a symmetric design.

Rengarajan, Sembiam↗

NASA NTRS2014

Acoustics Research of Propulsion Systems

The liftoff phase induces some of the highest acoustic loading over a broad frequency for a launch vehicle. These external acoustic environments are used in the prediction of the internal vibration responses of the vehicle and components. Thus, predicting these liftoff acoustic environments is critical to the design requirements of any launch vehicle but there are challenges. Present liftoff vehicle acoustic environment prediction methods utilize stationary data from previously conducted hold-down tests; i.e. static firings conducted in the 1960's, to generate 1/3 octave band Sound Pressure Level (SPL) spectra. These data sets are used to predict the liftoff acoustic environments for launch vehicles. To facilitate the accuracy and quality of acoustic loading, predictions at liftoff for future launch vehicles such as the Space Launch System (SLS), non-stationary flight data from the Ares I-X were processed in PC-Signal in two forms which included a simulated hold-down phase and the entire launch phase. In conjunction, the Prediction of Acoustic Vehicle Environments (PAVE) program was developed in MATLAB to allow for efficient predictions of sound pressure levels (SPLs) as a function of station number along the vehicle using semiempirical methods. This consisted, initially, of generating the Dimensionless Spectrum Function (DSF) and Dimensionless Source Location (DSL) curves from the Ares I-X flight data. These are then used in the MATLAB program to generate the 1/3 octave band SPL spectra. Concluding results show major differences in SPLs between the hold-down test data and the processed Ares IX flight data making the Ares I-X flight data more practical for future vehicle acoustic environment predictions.

Gao, Ximing↗

DOE OSTI2024

State Preparation in Quantum Algorithms for Fragment-Based Quantum Chemistry

State preparation for quantum algorithms is crucial for achieving high accuracy in quantum chemistry and competing with classical algorithms. The localized active space–unitary coupled cluster (LAS–UCC) algorithm iteratively loads a fragment-based multireference wave function onto a quantum computer. Here, in this study, we compare two state preparation methods, quantum phase estimation (QPE) and direct initialization (DI), for each fragment. We test the two state preparation methods on three systems, ranging from a model system, a set of interacting hydrogen molecules, to more realistic chemical problems, like the C–C double bond breaking in transbutadiene and the spin ladder in a bimetallic system. We analyze the impact of QPE parameters, such as the number of ancilla qubits and Trotter steps, on the prepared state. We find a trade-off between the methods, where DI requires fewer resources for smaller fragments, while QPE is more efficient for larger fragments. Our resource estimates highlight the benefits of system fragmentation in state preparation for subsequent quantum chemical calculations. These findings have broad applications for preparing multireference quantum chemical wave functions on quantum circuits that can be used for realistic chemical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Probing black hole microstate evolution with networks and random walks

We model black hole microstates and quantum tunneling transitions between them with networks and simulate their time evolution using well-established tools in network theory. In particular, we consider two models based on Bena-Warner three-charge multi-centered microstates and one model based on the D1-D5 system; we use network theory methods to determine how many centers (or D1-D5 string strands) we expect to see in a typical late-time state. We find three distinct possible phases in parameter space for the late-time behaviour of these networks, which we call ergodic, trapped, and amplified, depending on the relative importance and connectedness of microstates. We analyze in detail how these different phases of late-time behavior are related to the underlying physics of the black hole microstates. Our results indicate that the expected properties of microstates at late times cannot always be determined simply by entropic arguments; typicality is instead a highly non-trivial, emergent property of the full Hilbert space of microstates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Simulation Center for Runaway Electron Avoidance and Mitigation (SCREAM SciDAC) (Technical Final Report)

Runaway electrons can severely damage the plasma facing components on ITER during a major disruption and pose a major risk for tokamak fusion. It has been recognized that an adequate disruption mitigation system (DMS) is essential for the safe operation of ITER. The United States is responsible for the design and implementation of the disruption mitigation system on ITER, and in July 2016 the Simulation Center for Runaway Electron Avoidance and Mitigation (SCREAM) was launched by DOE, in a joint Fusion Energy Sciences (FES) and Advanced Scientific Computing Research (ASCR) collaboration. SCREAM was a comprehensive theory and simulation SciDAC center that provided physics guidance in the avoidance and mitigation of runaway electrons, and in tandem with domestic and international experiments, helped establish the qualitative and quantitative bases for safe operational scenarios and viable mitigation techniques. The SCREAM center assembled a national team of experts in runaway electron physics, tokamak disruptions, magnetohydrodynamic (MHD) simulation, and advanced algorithms and computing. The team combined advanced simulation and analysis capability facilitated by direct participation of ASCR SciDAC institutes with theoretical models and code development by FES scientists to focus on the runaway risk for ITER and tokamaks in general. The research scope was focussed on integrated simulations of kinetic runaway electrons, including MHD and fluid models of impurity transport, within a research plan guided by theory. The specific research tasks were (1) establish the fundamental physics of runaway generation, saturation, and dynamical evolution in a tokamak; (2) examine the critical path toward runaway avoidance; and (3) investigate the viability and effectiveness of the leading candidate schemes for runaway mitigation. In all three areas, members of the team carried out scoping studies that established the readiness for rapid and critical advances, especially in the deployment and further development of large-to extreme-scale simulation tools. Our multi-pronged computational approach included (1) relativistic Fokker-Planck solvers with discretization in phase space, (2) self-consistent particle-in-cell techniques, (3) particle-based Monte-Carlo, and (4) MHD-particle hybrid simulations. Cross-check between these different methods provided an additional means for verification and further bolstered the fidelity of our physics prediction. Validation against experimental results brings confidence to the predictive capability for ITER and frequently leads to new ideas for understanding and mitigating the thermal quench driven runaway electron phenomenon.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗