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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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DOE OSTI2025

Dark Energy Survey Year 3 results: $w$CDM cosmology from simulation-based inference with persistent homology on the sphere

We present cosmological constraints from Dark Energy Survey Year 3 (DES Y3) weak lensing data using persistent homology, a topological data analysis technique that tracks how features like clusters and voids evolve across density thresholds. For the first time, we apply spherical persistent homology to galaxy survey data through the algorithm TopoS2, which is optimized for curved-sky analyses and HEALPix compatibility. Employing a simulation-based inference framework with the Gower Street simulation suite, specifically designed to mimic DES Y3 data properties, we extract topological summary statistics from convergence maps across multiple smoothing scales and redshift bins. After neural network compression of these statistics, we estimate the likelihood function and validate our analysis against baryonic feedback effects, finding minimal biases (under $0.3σ$) in the $Ω_\mathrm{m}-S_8$ plane. Assuming the $w$CDM model, our combined Betti numbers and second moments analysis yields $S_8 = 0.821 \pm 0.018$ and $Ω_\mathrm{m} = 0.304\pm0.037$-constraints 70% tighter than those from cosmic shear two-point statistics in the same parameter plane. Our results demonstrate that topological methods provide a powerful and robust framework for extracting cosmological information, with our spherical methodology readily applicable to upcoming Stage IV wide-field galaxy surveys.

Prat, J. [Nordita; Royal Inst. Tech., Sodertalje; ↗

DOE OSTI2024

Simple self-consistent method for excited states in density functional theory to characterize defect-derived behavior in wide-band-gap-based microelectronic materials

This final report summarizes the results of the Laboratory Direct Research and Development (LDRD) Project Number 229740. Wide band gap semiconductors such as gallium nitride (GaN) have features highly desirable for multiple mission electronic applications. Realization of their potential requires atomic-scale understanding of electronic behavior. The principal experimental tools for electronically probing defects in GaN are chemically undifferentiating and lack a practical theoretical counterpart needed to identify and characterize specific defects. This project investigated whether a simple idea for modeling defect excited states and their associated photoluminescence (PL) energies is viable, as a path to accelerate the understanding of defect behavior and gain valuable insights into engineering new electronic materials and devices. The research implemented a non-self-consistent total-energy evaluation of a Koopmans-type estimation of an excited electronic state energy in density functional theory (DFT) calculations, and proceeded to design, implement, and assess a self-consistent method for computing excited states based upon an OCcupation-Constrained-DFT (occ-DFT). The occ-DFT was verified in test calculations of defect excited states and validated against well-characterized PL data for 3d transition metal defects in GaN. The method proved stable and robust in computing excited states and gave accurate predictions compared to experimental PL data. The combined ground state/excited-state capability proved capable of chemically differentiating defect species in GaN. In application to 3d dopants in GaN, we reinterpreted extensive experimental literature, proposed new defects as prospective candidates for use in quantum information applications, and outlined design strategies to create and exploit these potentially useful functional defects in GaN.

36 MATERIALS SCIENCE↗

NASA NTRS1996

Study of the Mutual Interaction Between a Wing Wake and an Encountering Airplane

In an effort to increase airport productivity, several wind-tunnel and flight-test programs are currently underway to determine safe reductions in separation standards between aircraft. These programs are designed to study numerous concepts from the characteristics and detection of wake vortices to the wake-vortex encounter phenomenon. As part of this latter effort, computational tools are being developed and utilized as a means of modeling and verifying wake-vortex hazard encounters. The objective of this study is to assess the ability of PMARC, a low-order potential-flow panel method, to predict the forces and moments imposed on a following business-jet configuration by a vortex interaction. Other issues addressed include the investigation of several wake models and their ability to predict wake shape and trajectory, the validity of the velocity field imposed on the following configuration, modeling techniques and the effect of the high-lift system and the empennage. Comparisons with wind-tunnel data reveal that PMARC predicts the characteristics for the clean wing-body following configuration fairly well. Non-linear effects produced by the addition of the high-lift system and empennage, however, are not so well predicted.

Walden, A. B.↗

NASA NTRSDate not supplied

A PPE Use Case on Configuration Management Approach for MBSE

Systems engineers worldwide have been working to implement Model-based Systems Engineering (MBSE) environments, tools, and methodologies. MBSE is a formalized application of modeling to support systems engineering, including requirements, design, analysis, verification, and validation activities over the project’s lifecycle[1]; MBSE captures the system data into a digital environment. Significant benefits of MBSE includes a reduction in the time in performing systems engineering activities and an improvement higher fidelity data production. As more Systems Engineers are using MBSE, the models it produces are becoming the source of truth for Systems Engineering artifacts. As we move towards using these models as the source of truth, a more rigorous Configuration Management (CM) infrastructure is needed. Many of the MBSE tools provide CM options but utilizing them efficiently and effectively can be challenging. More rigorous methods and tools are needed to assist with keeping track of changes in the model, making sure inadvertent changes to baseline data did not occur, visibility of changes in the different model versions, and the impacts of changes to the models. System engineers and configuration management personnel from the Power and Propulsion Element (PPE) project at NASA Glenn Research Center have been working to develop a modeling construct that allows models to be the source of truth and maintain a configuration managed baseline. This paper presents a process that leverages the existing CM tools and describes how PPE used this process to manage changes more rigorously. It will describe the process behind building the model architecture that utilizes the MBSE tool capabilities and the configuration management process. It will contain some of the advantages and disadvantages of the architecture that the PPE project had settled upon utilizing, as well as some enhanced capabilities that the PPE MBSE team has developed.

MBSE↗

DOE OSTI2022

Quality Analysis of Baseline Time-Lapse CSEM Data CarbonSAFE Project, North Dakota

Conference presentation at International Meeting for Applied Geoscience & Energy (IMAGE), Houston, TX, August 28 – September 2, 2022. When a series of time-lapse CSEM surveys are designed to measure the often-small variations in signal seen in CCUS projects, the primary concern must be collecting the highest-quality data and reducing as much noise as possible. This includes optimization during planning and feasibility, careful and consistent quality checks in the field, and transparent and repeatable postprocessing steps. We apply this practice to a baseline (prior to CO 2 injection) CSEM data set collected for a time-lapse survey in Center, North Dakota, as a part of the North Dakota CarbonSAFE project, and describe the rigorous quality control and assessment methods used, including noise removal and data validation with 1D and 3D inversion to tie results to borehole logs. The final result is an accurate and representative CSEM data set and information that stakeholders can use to inform future time-lapse survey costs and designs.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2019

NEAMS Thermal-Fluids Test Stand for Fluoride-Slat Cooled, High Temperature Reactor Development (Final CRADA Report)

The work performed in this CRADA resulted in significant progress toward the development of a Thermal-fluid test-stand based on NEAMS tools. Significant work has been achieved in this area with simulations performed in Nek5000 of the heat and fluid flow in twisted tube heat exchangers and various software and modeling improvements in SAM geared toward heat exchanger simulations. In particular a set of simulations of flow and heat transfer in twisted elliptical tube geometries has been performed with Nek5000. The method was validated by simulating a case at a moderate Reynolds number and relatively high Froude number. This case was demonstrated to predict a Nusselt number in excellent agreement with the applicable correlation found in literature. It was further shown that at lower Froude numbers, this agreement becomes much worse. Additional cases were then simulated with low Froude numbers for both a square and a triangular unit cell to test the effect of pitch-to-maximum diameter ratio for the purposes of future CFD modeling. The results have proven invaluable to understand the flow physics in twisted tubes and provide reference data for design. Results have been summarized in a conference article. Moreover, work in SAM has led to significant improvement of software quality, the creation of a set of benchmarks for natural circulation and other significant software improvement.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1985

WEST-3 wind turbine simulator development. Volume 1: Summary

This report is a summary description of WEST-3, a new real-time wind turbine simulator developed by Paragon Pacific Inc. WEST-3 is an all digital, fully programmable, high performance parallel processing computer. Contained in the report are descriptions of the WEST-3 hardware and software. WEST-3 consists of a network of Computational Units (CUs) working in parallel. Each CU is a custom designed high speed digital processor operating independently of other CUs. The CU, which is the main building block of the system, is described in some detail. A major contributor to the high performance of the system is the use a unique method for transferring data among the CUs. The software aspects of WEST-3 covered in the report include the preparation of the simulation model (reformulation, scaling and normalization), and the use of the system software (Translator, Linker, Assembler and Loader). Also given is a description of the wind turbine simulation model used in WEST-3, and some sample results from a study conducted to validate the system. Finally, efforts currently underway to enhance the user friendliness of the system are outlined; these include the 32-bit floating point capability, and major improvements in system software.

Sridhar, S.↗

NASA NTRS1990

Aeroservoelasticity

Accomplishments and current research projects along four main thrusts in aeroservoelasticity at the NASA Langley Research Center are described. One activity focuses on enhancing the modelling and the analysis procedures to accurately predict aeroservoelastic interactions. In the area of modelling, improvements to the minimum-state method of approximating unsteady aerodynamics are shown to provide precise, low-order models for design and simulation tasks. Recent extensions in aerodynamic correction factor methodology are also described. With respect to analysis procedures, the paper reviews novel enhancements to Matched Filter Theory and Random Process Theory for predicting the critical gust profile and the associated time-correlated gust loads for structural design considerations. In another activity, two research projects leading towards improved design capability are summarized. The first program involves the development of an integrated structure/control design capability; the second provides procedures for obtaining low-order, robust digital control laws for aeroelastic applications. Experimental validation of new theoretical developments is the third activity. As such, a short description of the Active Flexible Wing Project is presented, and recent wind-tunnel test accomplishments are summarized. Finally within the area of application, a study performed to assess the state-of-the-art of aeroelastic and aeroservoelastic analysis and design technology with respect to hot, hypersonic flight vehicles is reviewed.

Noll, Thomas E.↗

NASA NTRS2006

Flight Test of an Adaptive Controller and Simulated Failure/Damage on the NASA NF-15B

The method of flight-testing the Intelligent Flight Control System (IFCS) Second Generation (Gen-2) project on the NASA NF-15B is herein described. The Gen-2 project objective includes flight-testing a dynamic inversion controller augmented by a direct adaptive neural network to demonstrate performance improvements in the presence of simulated failure/damage. The Gen-2 objectives as implemented on the NASA NF-15B created challenges for software design, structural loading limitations, and flight test operations. Simulated failure/damage is introduced by modifying control surface commands, therefore requiring structural loads measurements. Flight-testing began with the validation of a structural loads model. Flight-testing of the Gen-2 controller continued, using test maneuvers designed in a sequenced approach. Success would clear the new controller with respect to dynamic response, simulated failure/damage, and with adaptation on and off. A handling qualities evaluation was conducted on the capability of the Gen-2 controller to restore aircraft response in the presence of a simulated failure/damage. Control room monitoring of loads sensors, flight dynamics, and controller adaptation, in addition to postflight data comparison to the simulation, ensured a safe methodology of buildup testing. Flight-testing continued without major incident to accomplish the project objectives, successfully uncovering strengths and weaknesses of the Gen-2 control approach in flight.

Buschbacher, Mark↗

NASA NTRS2017

Aeroservoelastic Modeling of Body Freedom Flutter for Control System Design

One of the most severe forms of coupling between aeroelasticity and flight dynamics is an instability called freedom flutter. The existing tools often assume relatively weak coupling, and are therefore unable to accurately model body freedom flutter. Because the existing tools were developed from traditional flutter analysis models, inconsistencies in the final models are not compatible with control system design tools. To resolve these issues, a number of small, but significant changes have been made to the existing approaches. A frequency domain transformation is used with the unsteady aerodynamics to ensure a more physically consistent stability axis rational function approximation of the unsteady aerodynamic model. The aerodynamic model is augmented with additional terms to account for limitations of the baseline unsteady aerodynamic model and to account for the gravity forces. An assumed modes method is used for the structural model to ensure a consistent definition of the aircraft states across the flight envelope. The X-56A stiff wing flight-test data were used to validate the current modeling approach. The flight-test data does not show body-freedom flutter, but does show coupling between the flight dynamics and the aeroelastic dynamics and the effects of the fuel weight.

aeroservoelastic↗

NASA NTRS2017

A Requirements-Driven Optimization Method for Acoustic Treatment Design

Acoustic treatment designers are able to attenuate specific noise sources inside turbofan engines. Subject to practical considerations, liner design variables may be manipulated to achieve a target attenuation spectrum. But, characteristics of the ideal attenuation spectrum can be difficult to know. Many multidisciplinary system effects govern how engine noise sources contribute to community noise. Given a hardwall fan noise source to be suppressed, and using an analytical certification noise model to compute a community noise measure of merit, the optimal attenuation spectrum can be derived using multidisciplinary systems analysis methods. The subject of this paper is an analytic method that derives the ideal target attenuation spectrum that minimizes noise perceived by observers on the ground. Software is developed and used to test and validate the method on a simple, notional source. With experience gained from minimizing noise of the simple source, the software is tested against a realistic hardwall fan source.

aircraft noise↗

NASA NTRS1999

Acoustic Treatment Design Scaling Methods: Test Plans, Hardware, Results, and Evaluation - Volume 3

The ability to design, build, and test miniaturized acoustic treatment panels on scale-model fan rigs representative of the full-scale engine provides not only a cost-savings, but an opportunity to optimize the treatment by allowing tests of different designs. To be able to use scale model treatment as a full-scale design tool, it is necessary that the designer be able to reliably translate the scale model design and performance to an equivalent full-scale design. The primary objective of the study presented in this volume of the final report was to conduct laboratory tests to evaluate liner acoustic properties and validate advanced treatment impedance models. These laboratory tests include DC flow resistance measurements, normal incidence impedance measurements, DC flow and impedance measurements in the presence of grazing flow, and in-duct liner attenuation as well as modal measurements. Test panels were fabricated at three different scale factors (i.e., full-scale, half-scale, and one-fifth scale) to support laboratory acoustic testing. The panel configurations include single-degree-of-freedom (SDOF) perforated sandwich panels, SDOF linear (wire mesh) liners, and double-degree-of-freedom (DDOF) linear acoustic panels.

Yu, J.↗

DOE OSTI2024

A generative artificial intelligence framework based on a molecular diffusion model for the design of metal-organic frameworks for carbon capture

Metal-organic frameworks (MOFs) exhibit great promise for CO 2 capture. However, finding the best performing materials poses computational and experimental grand challenges in view of the vast chemical space of potential building blocks. Here, we introduce GHP-MOFassemble, a generative artificial intelligence (AI), high performance framework for the rational and accelerated design of MOFs with high CO 2 adsorption capacity and synthesizable linkers. GHP-MOFassemble generates novel linkers, assembled with one of three pre-selected metal nodes (Cu paddlewheel, Zn paddlewheel, Zn tetramer) into MOFs in a primitive cubic topology. GHP-MOFassemble screens and validates AI-generated MOFs for uniqueness, synthesizability, structural validity, uses molecular dynamics simulations to study their stability and chemical consistency, and crystal graph neural networks and Grand Canonical Monte Carlo simulations to quantify their CO 2 adsorption capacities. We present the top six AI-generated MOFs with CO 2 capacities greater than 2m mol g -1 , i.e., higher than 96.9% of structures in the hypothetical MOF dataset.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

First-principles calculations of solute transport in zirconium: Vacancy-mediated diffusion with metastable states and interstitial diffusion

Zirconium alloys are the most widely used nuclear fuel cladding materials for light water power reactors where irradiation damage causes solute redistribution, leading to degradation of alloy properties such as corrosion resistance. Designing radiation-tolerant zirconium alloys requires a thorough understanding of the atomic-scale transport behavior of the alloying elements in Zr. In this work, we perform density function theory calculations to investigate the diffusion of Sn, Cr, Fe, Be, Al, and Ni in the hexagonal close-packed (HCP) Zr matrix. We develop a methodology to accurately model the metastable vacancy states along the basal migration path, known to occur in group IV metals. We compute the vacancy-mediated solute diffusion coefficients and drag ratios using the kinetic Monte Carlo method and an analytic Green's function method—the agreement between the two validates our methodology. The computed diffusion coefficients of Sn and Al show good agreement with the experimental data and we expect these solutes to diffuse via the vacancy-mediated mechanism. We use a Green's function approach, parameterized with data from density functional theory calculations, to compute the interstitial diffusion coefficients of Cr, Fe, Be, and Ni in the HCP Zr lattice. The computed diffusion coefficients of Cr, Ni, and Be agree with the experimental measurements within one order of magnitude, while those of Fe are within two orders of magnitude of the experimental measurements. The drag ratios for Cr, Fe, Be, and Ni are positive up to 1235 K, which suggests that nonequilibrium vacancy fluxes could drag these solutes toward sinks such as dislocation loops and grain boundaries. We also compute the transport coefficients without including the metastable states, and using the eight- and thirteen-frequency model. Our results show significant differences in drag ratio for the eight- and thirteen-frequency model predictions compared with the Green's function methodology, but smaller errors in the solute diffusivity. Combining interstitial and vacancy-mediated diffusivities, we predict the unusual result that increased vacancy concentration slows down solute diffusivity, while a sufficiently high vacancy concentration can change the dominant mechanism to an accelerated vacancy-mediated diffusion.

36 MATERIALS SCIENCE↗

NASA NTRS1999

A Quantitative Study of Oxygen as a Metabolic Regulator

An acute reduction in oxygen (O2) delivery to a tissue is generally associated with a decrease in phosphocreatine, increases in ADP, NADH/NAD, and inorganic phosphate, increased rates of glycolysis and lactate production, and reduced rates of pyruvate and fatty acid oxidation. However, given the complexity of the human bioenergetic system and its components, it is difficult to determine quantitatively how cellular metabolic processes interact to maintain ATP homeostasis during stress (e.g., hypoxia, ischemia, and exercise). Of special interest is the determination of mechanisms relating tissue oxygenation to observed metabolic responses at the tissue, organ, and whole body levels and the quantification of how changes in tissue O2 availability affect the pathways of ATP synthesis and the metabolites that control these pathways. In this study, we extend a previously developed mathematical model of human bioenergetics to provide a physicochemical framework that permits quantitative understanding of O2 as a metabolic regulator. Specifically, the enhancement permits studying the effects of variations in tissue oxygenation and in parameters controlling the rate of cellular respiration on glycolysis, lactate production, and pyruvate oxidation. The whole body is described as a bioenergetic system consisting of metabolically distinct tissue/organ subsystems that exchange materials with the blood. In order to study the dynamic response of each subsystem to stimuli, we solve the ordinary differential equations describing the temporal evolution of metabolite levels, given the initial concentrations. The solver used in the present study is the packaged code LSODE, as implemented in the NASA Lewis kinetics and sensitivity analysis code, LSENS. A major advantage of LSENS is the efficient procedures supporting systematic sensitivity analysis, which provides the basic methods for studying parameter sensitivities (i.e., changes in model behavior due to parameter variation). Sensitivity analysis establishes relationships between model predictions and problem parameters (i.e., initial concentrations, rate coefficients, etc). It helps determine the effects of uncertainties or changes in these input parameters on the predictions, which ultimately are compared with experimental observations in order to validate the model. Sensitivity analysis can identify parameters that must be determined accurately because of their large effect on the model predictions and parameters that need not be known with great precision because they have little or no effect on the solution. This capability may prove to be important in optimizing the design of experiments, thereby reducing the use of animals. This approach can be applied to study the metabolic effects of reduced oxygen delivery to cardiac muscle due to local myocardial ischemia and the effects of acute hypoxia on brain metabolism. Other important applications of sensitivity analysis include identification of quantitatively relevant pathways and biochemical species within an overall mechanism, when examining the effects of a genetic anomaly or pathological state on energetic system components and whole system behavior.

Radhakrishnan, Krishnan↗

NASA NTRS2017

Boundary Condition Study for the Juncture Flow Experiment in the NASA Langley 14x22-Foot Subsonic Wind Tunnel

Because future wind tunnel tests associated with the NASA Juncture Flow project are being designed for the purpose of CFD validation, considerable effort is going into the characterization of the wind tunnel boundary conditions, particularly at inflow. This is important not only because wind tunnel flowfield nonuniformities can play a role in integrated testing uncertainties, but also because the better the boundary conditions are known, the better CFD can accurately represent the experiment. This paper describes recent investigative wind tunnel tests involving two methods to measure and characterize the oncoming flow in the NASA Langley 14- by 22-Foot Subsonic Tunnel. The features of each method, as well as some of their pros and cons, are highlighted. Boundary conditions and modeling tactics currently used by CFD for empty-tunnel simulations are also described, and some results using three different CFD codes are shown. Preliminary CFD parametric studies associated with the Juncture Flow model are summarized, to determine sensitivities of the flow near the wing-body juncture region of the model to a variety of modeling decisions.

Rumsey, C. L.↗

NASA NTRS2017

Test and Analysis of Buckling-Critical Stiffened Metallic Launch Vehicle Cylinders

A summary of a NASA design analysis and test program on the buckling of large-scale, integrally-stiffened metallic cylinders is presented. The test article designs were developed based on proposed NASA launch vehicle cylinder designs and span a significant portion of the design space. Various loading conditions were applied to the cylinders and include different combinations of axial compression, bending, and internal pressure loads that simulate typical launch vehicle loading scenarios. The data gathered from this test program is being used to develop and validate new analysis-based knockdown factors and design guidelines for these stiffened metallic cylinders. In this paper, the test article designs and fabrication methods are described along with the test facilities and instrumentation. Selected test and finite element analysis results are presented and compared and are used to illustrate the typical response characteristics of the stiffened metallic cylinders considered. Overall, good qualitative agreement is found, however, several discrepancies in the results were identified across several of the tests. The discrepancies were investigated thoroughly and can be attributed to variations in the as-built skin and stiffener geometry, variations in the measured geometric imperfection, and modeling assumptions associated with the boundary conditions, and loading imperfections. Based on these findings, several refinements were made to the finite element models which significantly improved the correlation between the test and analysis results. These modeling refinements are described and the updated analysis results are presented.

Hilburger, Mark W.↗

NASA NTRS2009

Irradiation with molecular hydrogen as an accelerated total dose hardness assurance test method for bipolar linear circuits

High dose rate irradiation with hydrogen stress is proposed as an accelerated total dose test method for bipolar linear circuits. The method is validated across process and circuit technologies with five parts that are commonly used in space: a comparator (LM193 from National Semi-conductor), a voltage regulator (HSYE-117 RH from Intersil), a voltage reference (LT1019 from Linear Technology), a JFET input op amp (OP42 from Analog Devices) and a temperature transducer (AD590 from Analog Devices). The testing technique could rapidly establish an upper bound to the low dose rate response of parts in space and help with the part selection process in the design phase of a mission. The technology dependence and the viability of this technique are qualitatively explored using a physical model describing the dose rate response and the effect of hydrogen in bipolar technologies. The model uses four core processes: 1) space charge effects, 2) free electron/hole pair recombination, hole-hydrogen defect reactions in the oxides and 4) proton depassivation of dangling bonds at the Si/SiO2 interface. Radiation hardness assurance implications are discussed.

Pease, Ron↗