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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Three-dimensional potential flows from functions of a 3D complex variable

Potential, or ideal, flow velocities can be found from the gradient of an harmonic function. An ordinary complex valued analytic function can be written as the sum of two real valued functions, both of which are harmonic. Thus, 2D complex valued functions serve as a source of functions that describe two-dimensional potential flows. However, this use of complex variables has been limited to two-dimensions. Recently, a new system of three-dimensional complex variables has been developed at the NASA Ames Research Center. As a step toward application of this theory to the analysis of 3D potential flow, several functions of a three-dimensional complex variable have been investigated. The results for two such functions, the 3D exponential and 3D logarithm, are presented in this paper. Potential flows found from these functions are investigated. Important characteristics of these flows fields are noted.

Kelly, Patrick↗
NASA NTRS2019

Load Flow Analysis with Analytic Derivatives for Electric Aircraft Design Optimization

Many of the aircraft concepts of the future are exploring the use of hybrid-, turbo- or all-electric propulsion systems to improve performance and decrease environmental impacts. These aircraft concepts range from small rotorcraft for urban air mobility to conventional commercial transports to large blended wing body designs. Developing the conceptual design for these vehicles presents a challenge, however, as traditional aircraft design tools often were not developed to handle these unique propulsion system architectures. Previous studies on these vehicles have therefore relied on relatively simple models of the electrical transmission and distribution system. This paper presents the development of a hybrid AC-DC load flow (or power flow) analysis capability to enhance the conceptual design of these concept vehicles. Specifically, the desire was to create a load flow analysis capability within the OpenMDAO framework that is also being used to develop a set of compatible tools for rapid optimization of conceptual designs. This load flow analysis capability is unique in its flexible object-oriented structure and implementation of analytic derivatives to facilitate the use of solvers and gradient based optimization in the design process. The developed hybrid load flow analysis capability is first verified against a published 13-bus example then used to model the electrical distribution system for a turbo-electric tiltwing aircraft.

Load flow↗
NASA NTRS1987

Structure, vibrational spectrum, and energetics of the CH5(+) ion - A theoretical investigation

Analytic derivative techniques are utilized to determine molecular geometries, vibration spectra, molecular force field, proton affinity, and energetics of clustering of protonated methane. It is observed that the geometries are gradient optimized, while the harmonic force fields and IR intensities are also determined analytically at the SCF level. It is determined that the frequency of the torsional model for rotation of the H2 about the pseudothreefold axis of the CH3(+) group is extremely low, and the proton affinity of CH4 is calculated as 129.0 kcal/mol.

Komornicki, Andrew↗
NASA NTRS2018

Real-Time Adaptive Drag Minimization Wind Tunnel Investigation of a Flexible Wing with Variable Camber Continuous Trailing Edge Flap System

This paper reports the results of a recently completed real-time adaptive drag minimization wind tunnel investigation of a highly flexible wing wind tunnel model equipped with the Variable Camber Continuous Trailing Flap (VCCTEF) technology at the University of Washington Aeronautical Laboratory (UWAL). The wind tunnel investigation is funded by NASA SBIR Phase II contract with Scientific Systems Company, Inc. (SSCI) and University of Washington (UW) as a subcontractor. The wind tunnel model is a sub-scale Common Research Model (CRM) wing constructed of foam core and fiberglass skin and is aeroelastically scaled to achieve a wing tip deflection of 10% of the wing semi-span which represents a typical wing tip deflection for a modern transport such as Boeing 787. The jig-shape twist of the CRM wing is optimized using a CART3D aero-structural model to achieve the minimum induced drag for the design cruise lift coefficient of 0.5. The wing is equipped with two chord wise cambered segments for each of the six span wise flap sections for a total of 12 individual flap segments that comprise the VCCTEF system. Each of the 12 flap segments is actively controlled by an electric servo-actuator. The real-time adaptive drag optimization strategy includes an on-board aerodynamic model identification, a model excitation, and a real-time drag optimization. The on-board aerodynamic model is constructed parametrically as a function of the angle of attack and flap positions to model the lift and drag coefficients of the wing. The lift coefficient models include a linear model and a second-order model. The drag coefficient models include a quadratic model and a higher-order up to 6th-order model to accurately model the drag coefficient at high angles of attack. The onboard aerodynamic model identification includes a recursive least-squares (RLS) algorithm and a batch least-squares (BLS) algorithm designed to estimate the model parameters. The model excitation method is designed to sample the input set that comprises the angle of attack and the flap positions. Three model excitation methods are developed: random excitation method, sweep method, and iterative angle-of-attack seeking method. The real-time drag optimization includes a generic algorithm developed by SSCI and several optimization methods developed by NASA which include a second-order gradient Newton-Raphson optimization method, an iterative gradient optimization method, a pseudo-inverse optimization method, an analytical optimization method, and an iterative refinement optimization method. The first wind tunnel test entry took place in September 2017. This test revealed major hardware issues and required further redesign of the flap servo mechanisms. The second test entry took place in April 2018. However, the test was not successful due to the issues with the onboard aerodynamic model identification RLS algorithm which incorrectly identified model parameters. This test also provides an experimental comparison study between the VCCTEF and a variable camber discrete trailing edge flap (VCDTEF) without the elastomer transition mechanisms. The experimental result confirms the benefit of the VCCTEF which produces lower drag by 5% than the VCDTEF. The third and final test entry took place in June 2018 after the issues with the RLS algorithm have been identified and corrected. Additional improvements were implemented. These include the BLS algorithm, the iterative angle-of-attack seeking method, the iterative gradient optimization method, and the pseudo-inverse optimization method. The test objectives were successfully demonstrated as the real-time drag optimization identifies several optimal solutions at off-design lift coefficients. The iterative gradient optimization method is found to achieve up to 4.7% drag reduction for the off-design lift coefficient of 0.7. The pseudo-inverse optimization method which does not require the drag coefficient model is found to be quite effective in reducing drag. Up to 9.4% drag reduction for the off-design lift coefficient of 0.7 is achieved with the pseudo-inverse optimization method. The wind tunnel investigation demonstrates the potential of real-time drag optimization technology. Several new capabilities are developed that could enable future adaptive wing technologies for flexible wings equipped with drag control devices such as the VCCTEF.

Drag Optimization↗
DOE OSTI2025

COMPASS-FME Synoptic Site Characterization

This dataset contains soil biogeochemical and physicochemical characterization data for the COMPASS-FME synoptic sites.This dataset also contains data for the paper Patel et al. 2025 "Transition zones at the changing coastal terrestrial-aquatic interface", https://doi.org/10.1029/2025JG008978.Coastal soils are a significant but highly uncertain component of global biogeochemical cycles. These systems experience unique spatial and temporal variability in biogeochemical processes, driven by wetland-to-upland gradients and hydrological fluctuations. We studied drivers of coastal soil variability (a) at regional scales and (b) across transects from upland forest to wetland, in two contrasting regions — Lake Erie, a freshwater lacustrine system, and Chesapeake Bay, a saltwater estuarine system. Salinity-related analytes were a key driver of soil variability, not just in the saltwater system, but surprisingly, also in the freshwater system. We had hypothesized linear trends in biogeochemical parameters along the TAI – however, contrary to expectations, transition soils were not consistently intermediate between upland and wetland endmembers; the non-monotonic trends of carbon, phosphorus, iron along our transects suggest that these are key analytes to study in our regions. Rapidly changing soil factors across coastal gradients provide insights into which soil processes may act as precursors to ecosystem shifts. Our comprehensive soil characterization across the coastal transects provides essential data for mechanistic modeling of ecosystem dynamics.The data are provided as processed, csv files. Raw data and processing scripts can be accessed on GitHub (https://github.com/COMPASS-DOE/cmps-soil_characterization).A note on the nomenclature: the experimental design represents three points along the coastal gradient -- upland, transition, and wetland. "wetland" is referred to as "marsh" in the corresponding paper. The two terms can be used interchangeably for the sites in this study.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1974

Supersonic laminar base pressure, heat-transfer, and upstream influence correlations for small steps

Some results of the application of a unified theory of small disturbances in nonuniform high-speed boundary layers to the small-step problem for the case of supersonic laminar nonadiabatic flow are described. Comparisons with experimental data are given which show good agreement in a variety of physical features, including useful new base pressure and heat-transfer correlation relations. Using a small perturbation approach, an analytical theory is developed that predicts the steady-state pressure, temperature, and heat-transfer disturbance fields including suction or blowing through the step. Particular emphasis is placed on the important effects of the highly nonuniform flow across the boundary layer, lateral pressure gradients, and the upstream influence associated with viscous-inviscid interaction. Approximate analytical expressions for the wall pressure, skin friction, and heat-transfer perturbations and upstream influence distance are derived by a Fourier transformation approach.

Inger, G. R.↗
NASA NTRS2016

Optimization of Turbine Engine Cycle Analysis with Analytic Derivatives

A new engine cycle analysis tool, called Pycycle, was recently built using the OpenMDAO framework. This tool uses equilibrium chemistry based thermodynamics, and provides analytic derivatives. This allows for stable and efficient use of gradient-based optimization and sensitivity analysis methods on engine cycle models, without requiring the use of finite difference derivative approximation methods. To demonstrate this, a gradient-based design optimization was performed on a multi-point turbofan engine model. Results demonstrate very favorable performance compared to an optimization of an identical model using finite-difference approximated derivatives.

Turbine engine↗
DOE OSTI2022

Online Distribution System State Estimation via Stochastic Gradient Algorithm

Distribution network operation is becoming more challenging because of the growing integration of intermittent and volatile distributed energy resources (DERs). This motivates the development of new distribution system state estimation (DSSE) paradigms that can operate at fast timescale based on real-time data stream of asynchronous measurements enabled by modern information and communications technology. To solve the real-time DSSE with asynchronous measurements effectively and accurately, this paper formulates a weighted least squares DSSE problem and proposes an online stochastic gradient algorithm to solve it. The performance of the proposed scheme is analytically guaranteed and is numerically corroborated with realistic data on IEEE 123-bus feeder.

distribution system state estimation↗
NASA NTRS1995

Thermal barrier coating life modeling in aircraft gas turbine engines

Analytical models for predicting ceramic thermal barrier coating (TBC) spalling life in aircraft gas turbine engines are presented. Electron beam-physical vapor deposited (EB-PVD) and plasma sprayed TBC systems are discussed. An overview of the following TBC spalling mechanisms is presented: metal oxidation at the ceramic-metal interface, ceramic-metal interface stress singularities at edges and corners, ceramic-metal interface stresses caused by radius of curvature and interface roughness, material properties and mechanical behavior, temperature gradients, component design features and object impact damage. TBC spalling life analytical models are proposed based on observations of TBC spalling and plausible failure theories. TBC spalling was assumed to occur when the imposed stresses exceed the material strength (at or near the ceramic-metal interface). TBC failure knowledge gaps caused by lack of experimental evidence and analytical understanding are noted. The analytical models are considered initial engineering approaches that capture observed TBC failure trends.

Nissley, David M.↗
NASA NTRS2018

Contributions of Spherical Harmonics to Gravitational Moment

A scalar gravitational potential function expressed as a series of spherical harmonics frequently serves as the basis for a model of an astronomical body's gravitational field. The contribution of a generic spherical harmonic to gravitational gradient is expressed as a dyadic, which is then used to obtain an analytical expression in vector-dyadic form for the contribution to the moment of gravitational forces about the mass center of a small body such as a spacecraft. The expression developed for a harmonic's contribution to gravitational gradient can be applied in areas beyond the scope of the paper; for example, gravitational gradient plays an important role in the state propagation matrix and the state transition matrix that are used in spacecraft trajectory targeting and Kalman filtering. Additionally, it can be employed in numerical simulations of orbit determination based on measurements obtained with a gradiometer in low-Earth orbit. Contributions of spherical harmonics to gravitational moment may be of interest in connection with attitude control of a spacecraft in the vicinity of a body with an irregular shape, such as an asteroid. Normalized spherical harmonic coefficients up to degree and order 10 are obtained for the asteroid 216 Kleopatra and used in numerical evaluations of contributions to gravitational moment.

Roithmayr, Carlos M.↗
DOE OSTI2025

Jipole: A Differentiable ipole-based Code for Radiative Transfer in Curved Spacetimes

Recent imaging of supermassive black holes by the Event Horizon Telescope has relied on exhaustive parameter-space searches, matching observations to large, precomputed libraries of theoretical models. As observational data become increasingly precise, the limitations of this computationally expensive approach grow more acute, creating a pressing need for more efficient methods. In this work, we present Jipole, an automatically differentiable (AD), ipole-based code for radiative transfer in curved spacetimes, designed to compute image gradients with respect to underlying model parameters. These gradients quantify how parameter changes—such as the black hole’s spin or the observer’s inclination—affect the image, enabling more efficient parameter estimation and reducing the number of required images. We validate Jipole against ipole in two analytical tests and then compare pixelwise intensity derivatives from AD with those from finite-difference methods. We then demonstrate the utility of these gradients by performing parameter recovery for an analytical model in three increasingly complex cases for the injected image: ideal, blurred, and blurred with added noise. In most cases, high-accuracy fits are obtained in only a few optimization steps, failing only in cases with extremely low signal-to-noise ratios. These results highlight the potential of AD-based methods to accelerate robust, high-fidelity model-data comparisons in current and future black hole imaging efforts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Impact of molten salt inflow on the temperature distribution in thermal energy storage tanks at startup for central receiver concentrating solar power plants

Concentrating Solar Power (CSP) systems with molten salt thermal energy storage (TES) tanks are one of the most promising, renewable-based energy conversion technologies for larger-scale power generation. The TES tank is one of the most critical components in CSP plants due to its high-temperature operation (up to 565 °C), daily thermal cycling, and intermittent solar radiation conditions. The plant startup is one of the most challenging operation conditions that could lead to damaging thermal gradients due to low salt inventory levels. In this study an analytical model for the sparger ring was developed and integrated with a detailed computational fluid dynamics model of a commercial-scaled molten salt tank. The integrated model allows an accurate representation of the tank operation to evaluate the effect of molten salt inflow on the mixing process. The tank filling process during plant startup was analyzed considering sparger rings with variations in design features, including inlet orifice configurations, number of orifices, direction of the inlets, and orifice diameter. The results demonstrated that higher temperature gradients are obtained in the tank floor during the plant startup. A sparger ring configuration with a predetermined orifice inlet inclination (30°, 45° and 60°) leads to significant temperature differences in the floor, between 57 °C and 62 °C, but better homogeneity in the temperature of the salt inventory. Lower salt inflow velocities result in a more homogeneous floor temperature, with maximum temperature differences under 38 °C. The sparger ring configuration with 52 orifices of 1-in. diameter and vertical flow showed better homogeneity in the temperature differences as a function of the salt level and lower temperature gradients in the tank floor. Because large temperature gradients in the tank's floor have been identified as one of the main factors contributing to tank failures, assessing various sparger ring design features is fundamental to determining proper inflow conditions that lead to low-temperature gradients and reducing failure susceptibility.

14 SOLAR ENERGY↗
DOE OSTI2023

The battle of clean and dirty qubits in the era of partial error correction

When error correction becomes possible it will be necessary to dedicate a large number of physical qubits to each logical qubit. Error correction allows for deeper circuits to be run, but each additional physical qubit can potentially contribute an exponential increase in computational space, so there is a trade-off between using qubits for error correction or using them as noisy qubits. In this work we look at the effects of using noisy qubits in conjunction with noiseless qubits (an idealized model for error-corrected qubits), which we call the "clean and dirty" setup. We employ analytical models and numerical simulations to characterize this setup. Numerically we show the appearance of Noise-Induced Barren Plateaus (NIBPs), i.e., an exponential concentration of observables caused by noise, in an Ising model Hamiltonian variational ansatz circuit. We observe this even if only a single qubit is noisy and given a deep enough circuit, suggesting that NIBPs cannot be fully overcome simply by error-correcting a subset of the qubits. On the positive side, we find that for every noiseless qubit in the circuit, there is an exponential suppression in concentration of gradient observables, showing the benefit of partial error correction. Finally, our analytical models corroborate these findings by showing that observables concentrate with a scaling in the exponent related to the ratio of dirty-to-total qubits.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

The battle of clean and dirty qubits in the era of partial error correction

When error correction becomes possible it will be necessary to dedicate a large number of physical qubits to each logical qubit. Error correction allows for deeper circuits to be run, but each additional physical qubit can potentially contribute an exponential increase in computational space, so there is a trade-off between using qubits for error correction or using them as noisy qubits. In this work, we look at the effects of using noisy qubits in conjunction with noiseless qubits (an idealized model for error-corrected qubits), which we call the “clean and dirty” setup. We employ analytical models and numerical simulations to characterize this setup. Numerically we show the appearance of Noise-Induced Barren Plateaus (NIBPs), i.e., an exponential concentration of observables caused by noise, in an Ising model Hamiltonian variational ansatz circuit. We observe this even if only a single qubit is noisy and given a deep enough circuit, suggesting that NIBPs cannot be fully overcome simply by error-correcting a subset of the qubits. On the positive side, we find that for every noiseless qubit in the circuit, there is an exponential suppression in the concentration of gradient observables, showing the benefit of partial error correction. Finally, our analytical models corroborate these findings by showing that observables concentrate with a scaling in the exponent related to the ratio of dirty-to-total qubits.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Dusty Gas Model for Solid Oxide Fuel Cell Fuel Electrode

This model applies the Dusty Gas Model simulate multi-component species transport in SOFC (solid oxide fuel cell) anodes which considers the pressure gradient across the fuel electrode. This studyhas been verified with the analytical solution for different fuel electrode thicknesses and with literature values. The model was developed using the VoronoiFVM platform in Julia which is a built in implicit and semi implicit solver that integrates electrochemical behavior, microstructural effects, and transient analysis for accurate prediction of species transport under varying conditions.

dusty gas model (DGM)↗
NASA NTRS1981

Voltage gradients in solar array cavities as possible breakdown sites in spacecraft-charging-induced discharges

A possible explanation for environmentally-induced discharges on geosynchronous satellites exists in the electric fields formed in the cavities between solar cells - the small gaps formed by the cover slides, solar cells, metallic interconnects and insulating substrate. When exposed to a substorm environment, the cover slides become less negatively charged than the spacecraft ground. If the resultant electric field becomes large enough, then the interconnect could emit electrons (probably by field emission) which could be accelerated to space by the positive voltage on the covers. An experimental study was conducted using a small solar array segment in which the interconnect potential was controlled by a power supply while the cover slides were irradiated by monoenergetic electrons. It was found that discharges could be triggered when the interconnect potential became at least 500 volts negative with respect to the cover slides. Analytical modeling of satellites exposed to substorm environments indicates that such gradients are possible. Therefore, it appears that this trigger mechanism for discharges is possible.

Stevens, N. J.↗
DOE OSTI2022

Direct computation of magnetic surfaces in Boozer coordinates and coil optimization for quasisymmetry

We propose a new method to compute magnetic surfaces that are parametrized in Boozer coordinates for vacuum magnetic fields. We also propose a measure for quasisymmetry on the computed surfaces and use it to design coils that generate a magnetic field that is quasisymmetric on those surfaces. The rotational transform of the field and complexity measures for the coils are also controlled in the design problem. Using an adjoint approach, we are able to obtain analytic derivatives for this optimization problem, yielding an efficient gradient-based algorithm. Starting from an initial coil set that presents nested magnetic surfaces for a large fraction of the volume, our method converges rapidly to coil systems generating fields with excellent quasisymmetry and low particle losses. In particular for low complexity coils, we are able to significantly improve the performance compared with coils obtained from the standard two-stage approach, e.g. reduce losses of fusion-produced alpha particles born at half-radius from $17.7\,\%$ to $6.6\,\%$ . We also demonstrate 16-coil configurations with alpha loss ${<}1\,\%$ and neoclassical transport magnitude $\epsilon _{\text {eff}}^{3/2}$ less than approximately $5\times 10^{-9}$ .

Physics↗
DOE OSTI2023

Quantum Chemistry-Driven Machine Learning Approach for the Prediction of the Surface Tension and Speed of Sound in Ionic Liquids

Ionic liquids (ILs) have unique solvent properties and have thus garnered significant interest. However, exhaustive experimental determination of the physicochemical properties of ILs is unrealistic due to the large structural diversity of anions and cations, their high cost, the requirements of elevated temperature and pressure, and the time required. To circumvent these experimental costs, computational approaches to accurately calculate these properties have emerged. Here in the present study, we present a demonstration of two machine learning (ML) models for the prediction of two critical IL physical properties, the surface tension and the speed of sound, across a wide range of temperatures and pressures. The models make use of molecular descriptors derived from the COSMO-RS, a quantum chemical-based model. The ML models show excellent agreement with experimental observations, with an R2 value of 0.96–0.99 and RMSE of 1.71 mN/m and 16.12 m/s for the surface tension and speed of sound, respectively. This work paves the way for the development of COSMO-RS-informed ML models for the prediction of IL properties which can help to further optimize and accelerate technology development for ILs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗