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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 1,117 records · Page 62
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NASA NTRSDate not supplied

Probing Sensitivity of Discharge Characteristics to Model Selection using Uncertainty Quantification in an aprotic Li-Oxygen Battery

Currently, there are several models in the literature, such as kinetic models, microstructural models, and mass transport models that describe a Li-air battery's discharge behavior. Many of these models are calibrated and tested at low current densities and cannot be easily transferred to high current densities. Even at low current densities, there is no quantitative method for a researcher to choose a reaction kinetic model such as classical Butler-Volmer and its derivatives, and modified Marcus-Hush-Chidsey, a resistance model for lithium peroxide such as electron transport via tunneling or linear resistivity, a surface coverage model (lithium peroxide growth) such as partial coverage or full coverage, and mass transport model (discussed in Ref. [1]). Also, it is time-consuming to test different models at high current density (1C) due to a lack of well-tested models and well-calibrated model parameters. For this presentation, we will develop an analytical model, which acts as a surrogate model for a sophisticated finite element model to predict discharge time and discharge voltage. Next, we use an uncertainty quantifying technique called reduced-order stochastic optimization [2, 3] to determine the uncertainty in model parameters for rate kinetics, lithium peroxide resistivity, and parasitic resistance. Finally, a finite element simulation is performed to determine the error introduced by the surrogate model and its influence on the uncertainty in the model parameters.

M Mehta↗
DOE OSTI2026

A fractional calculus framework for open quantum dynamics: From Liouville to Lindblad to memory kernels

Open quantum systems exhibit dynamics ranging from unitary evolution to irreversible dissipation. While the Gorini–Kossakowski–Sudarshan–Lindblad equation uniquely characterizes Markovian completely positive and trace-preserving (CPTP) evolution, many physical platforms display non-Markovian features such as algebraic relaxation and coherence backflow. Fractional calculus provides a natural way to model such long-memory behavior through power-law temporal kernels introduced by fractional time derivatives. Here, we develop a unified framework that embeds fractional master equations within the broader hierarchy of open-system formalisms. The fractional equation forms a structured subclass of memory-kernel models, reduces to the Lindblad form at unit order, and, through Bochner–Phillips subordination, admits a CPTP representation as an average over Lindblad semigroups. Its resolvent structure further connects fractional dynamics to established non-Markovian approaches, including Nakajima–Zwanzig kernels and hierarchical equations of motion, providing a compact surrogate for long-memory effects. This formulation positions fractional calculus as a rigorous and practical language for modeling non-Markovian quantum dynamics in chemical physics and physical chemistry, providing a CPTP-preserving, computationally efficient surrogate for structured condensed-phase environments where long-time memory and dissipation play a central role.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Enhanced dynamic equivalent identification method of large-scale power systems using multiple events

The increasing complexity of the interconnected power system makes high-fidelity dynamic simulation models computationally more intensive. To improve computation efficiency, model reduction techniques have been investigated to only preserve the dynamics in a limited area of interest (study area), while deriving equivalent representation for the external area. For this purpose, a measurement-based reduction approach using system identification techniques has been previously proposed. Accordingly, external areas are represented by dynamic equivalent loads using transfer function estimation. In this paper, in order to enhance the accuracy of the reduced model in preserving dynamics of the study area, multiple “grid” events of different types and at different locations are considered for identifying the parameters of the equivalent loads. Additionally, case studies are carried out in the NPCC 140-bus system. Comparisons are made between multiple events training and single event training, highlighting the advantages of the proposed method in providing a better representation of the grid dynamics under different operating conditions.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Enhanced Dynamic Equivalent Identification Method of Large-Scale Power Systems Using Multiple Event

The increasing complexity of the interconnected power system makes high-fidelity dynamic simulation models computationally more intensive. To improve computation efficiency, model reduction techniques have been investigated to only preserve the dynamics in a limited area of interest (study area), while deriving equivalent representation for the external area. For this purpose, a measurement-based reduction approach using system identification techniques has been previously proposed. In that case, external areas are represented by dynamic equivalent loads using transfer function estimation. In this paper, in order to enhance the accuracy of the reduced model in preserving dynamics of the study area, multiple “grid” events of different types and at different locations are considered for identifying the parameters of the equivalent loads. Case studies are carried out in the NPCC 140-bus system. Comparison are made between multiple events training and single event training, highlighting the advantages of the proposed method in providing a better representation of the grid dynamics under different operating conditions.

Xue, Yaosuo↗
NASA NTRS1995

Reduced dimer production in solar-simulator-pumped continuous wave iodine lasers based on model simulations and scaling and pumping studies

A numerical rate equation model for a continuous wave iodine laser with longitudinally flowing gaseous lasant is validated by approximating two experiments that compare the perfluoroalkyl iodine lasants n-C3F7I and t-C4F9I. The salient feature of the simulations is that the production rate of the dimer (C4F9)2 is reduced by one order of magnitude relative to the dimer (C3F7)2. The model is then used to investigate the kinetic effects of this reduced dimer production, especially how it improves output power. Related parametric and scaling studies are also presented. When dimer production is reduced, more monomer radicals (t-C4F9) are available to combine with iodine ions, thus enhancing depletion of the laser lower level and reducing buildup of the principal quencher, molecular iodine. Fewer iodine molecules result in fewer downward transitions from quenching and more transitions from stimulated emission of lasing photons. Enhanced depletion of the lower level reduces the absorption of lasing photons. The combined result is more lasing photons and proportionally increased output power.

Costen, Robert C.↗
NASA NTRS1993

Unsteady loads measurements in a generic high speed engine model by means of recessed transducers

Results are presented from measurements of unsteady loads during performance tests of a generic high-speed engine model, which were made using high-frequency pressure gages installed in existing calorimeter ports of the engine model and recessed into the interior wall surface in order to reduce thermal flux to the gage diaphragm. In was found that the boundary layer pressure spectra at the model wall start to deviate from their flat plate counterpart at a short distance into the model inlet, which suggests the contributions to the spectra from the shock/boundary layer interaction. It was also found that significant levels of combustion noise propagate up through the subsonic portion of the boundary layer well into the inlet region. At the condition of an unstart, the combustion noise apparently couples with the acoustic modes of the model to cause acoustic 'hot spots' well upstream of the combustor.

Parrott, Tony L.↗
NASA NTRS1993

Higher-order ionospheric effects on the GPS observables and means of modeling them

Based on relaistic modeling of the electron density of the ionosphere and using a dipole moment approximation for the earth magnetic field, we are able to estimate the effect of the ionosphere on the Global Positioning Systems (GPS) signal for a ground user. The lowest-order (1/f(exp 2)) effect, which is of the order of .1 - 30 meters of zenith group delay, is subtracted out by forming a linear combination of the dual frequencies of the GPS signal. One is left with second- (1/f(exp 3)) and third-order (1/f(exp 4)) effects which are estimated typically to be approximately 0 - 2 cm, and approximately 0 - 2 mm at zenith respectively, depending on the time of day, time of year, the solar cycle and the relative geometry of the magnetic field and the line of sight. Given the total electron content along a line of sight, we derive an approximation to the second-order term which is accurate to approximately 90% within the magnetic dipole moment model; this approximation can be used to reduce the second-order term to the millimeter level, thus potentially improving precise positioning in space and on the ground. The induced group delay, or phase advance, due to second- and third-order effects are examined for two ground receivers located at equatorial and mid-latitude regions tracking several GPS satellites.

Bassiri, Sassan↗
DOE OSTI2024

Real-time capable modeling of ICRF heating on NSTX and WEST via machine learning approaches

Abstract A real-time capable core Ion Cyclotron Range of Frequencies (ICRF) heating model on NSTX and WEST is developed. The model is based on two nonlinear regression algorithms, the random forest ensemble of decision trees and the multilayer perceptron neural network. The algorithms are trained on TORIC ICRF spectrum solver simulations of the expected flat-top operation scenarios in NSTX and WEST assuming Maxwellian plasmas. The surrogate models are shown to successfully capture the multi-species core ICRF power absorption predicted by the original model for the high harmonic fast wave and the ion cyclotron minority heating schemes while reducing the computational time by six orders of magnitude. Although these models can be expanded, the achieved regression scoring, computational efficiency and increased model robustness suggest these strategies can be implemented into integrated modeling frameworks for real-time control applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1992

Modeling the global positioning system signal propagation through the ionosphere

Based on realistic modeling of the electron density of the ionosphere and using a dipole moment approximation for the Earth's magnetic field, one is able to estimate the effect of the ionosphere on the Global Positioning System (GPS) signal for a ground user. The lowest order effect, which is on the order of 0.1-100 m of group delay, is subtracted out by forming a linear combination of the dual frequencies of the GPS signal. One is left with second- and third-order effects that are estimated typically to be approximately 0-2 cm and approximately 0-2 mm at zenith, respectively, depending on the geographical location, the time of day, the time of year, the solar cycle, and the relative geometry of the magnetic field and the line of sight. Given the total electron content along a line of sight, the authors derive an approximation to the second-order term which is accurate to approximately 90 percent within the magnetic dipole moment model; this approximation can be used to reduce the second-order term to the millimeter level, thus potentially improving precise positioning in space and on the ground. The induced group delay, or phase advance, due to second- and third-order effects is examined for two ground receivers located at equatorial and mid-latitude regions tracking several GPS satellites.

Bassiri, S.↗
DOE OSTI2025

Stratospheric aerosol injection can weaken the carbon dioxide greenhouse effect

Abstract Stratospheric aerosol injection is a proposed method for offsetting greenhouse gas-induced warming by introducing scattering aerosols into the lower stratosphere to reflect sunlight. Here we explore a potentially more efficient alternative: weakening the Earth’s greenhouse effect by deploying absorptive aerosols in the upper stratosphere (~10 hPa). These aerosols warm the carbon dioxide emission level—where outgoing longwave radiation is most sensitive to temperature—thereby enhancing top-of-atmosphere infrared emission without altering atmospheric carbon dioxide concentrations. Idealized climate model simulations indicate that this approach can reduce global temperatures an order of magnitude more efficiently per unit aerosol mass than conventional scattering-based interventions. Although based on simplified model experiments lacking interactive aerosol processes and operational constraints, our results identify a distinct physical mechanism for climate intervention, arguing for further research into the impacts—especially potential unintended side effects—of injecting absorptive aerosols into the upper stratosphere as an alternative solar radiation management strategy.

Environmental Sciences & Ecology↗
DOE OSTI2023

Realistic fuel spray modeling for gasoline direct injection engine applications

Fuel spray modeling plays a critical role during modern gasoline direct injection (GDI) engine development due to fuel injection’s dominant impact on engine performance and emissions as well as the complex physical processes involved. In engineering three-dimensional (3D) computational fluid dynamics (CFD) simulations, the liquid-phase fuel atomization, evaporation, and mixing are usually modeled with the discrete droplet model (DDM) adopting a Lagrangian approach for multiphase CFD simulations. To this end, general practices heavily depend on the reduced order characterization of the injector nozzle flow. However, such simplified injector modeling may lead to insufficient representations of the complex spray dynamics. To tackle this problem, this study proposes a novel workflow to numerically evaluate GDI sub-cooled and flash-boiling sprays under engine-relevant conditions using a side-mounted GDI injector together with real gasoline fuel properties. The workflow introduces a one-way coupling (OWC) method leveraging high-fidelity nozzle flow simulations to provide realistic boundary conditions to the Lagrangian injector model. The proposed workflow was first verified in a constant volume chamber (CVC) environment and then implemented in a practical GDI engine setup to study spray morphology, fuel-air mixing, and wall-wetting propensity. In addition, detailed comparison was performed between the OWC method and the conventional rate of injection (ROI) routine. In conclusion, quantitative analysis of spray characteristics was conducted to highlight possible source of discrepancies of the conventional ROI method.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Micrometer: Micromechanics transformer for predicting full field mechanical responses of heterogeneous materials

Predicting mechanical responses of heterogeneous materials across scales remains a significant challenge. Traditional computational methods often struggle with complex and multiscale nature of these materials, limiting their effectiveness in real-world applications. Here, in this paper, we introduce Micrometer, a vision transformer based deep learning model designed to predict full field mechanical responses of heterogeneous materials, bridging the gap between computer vision and solid mechanics problems. We show that Micrometer, trained on a large-scale high-resolution dataset of 2D fiber-reinforced composites, can achieve state-of-the-art performance in predicting microscale strain fields across a wide range of material properties and loading conditions. Our model demonstrates accuracy and computational efficiency in applications such as computational homogenization and multiscale modeling, reducing computational time by up to two orders of magnitude compared to conventional numerical solvers while maintaining less than 1 % errors in predicting macroscale stress fields. Furthermore, we showcase Micrometer’s adaptability through transfer learning experiments on new materials with limited data, highlighting its potential to tackle diverse scenarios in computational solid mechanics. These results represent a significant step towards AI-driven innovation in materials science, addressing the limitations of traditional numerical methods and paving the way for more efficient simulations of heterogeneous materials across various industrial applications.

Composite materials↗
NASA NTRS1987

Maximum Entropy/Optimal Projection (MEOP) control design synthesis: Optimal quantification of the major design tradeoffs

The underlying philosophy and motivation of the optimal projection/maximum entropy (OP/ME) stochastic modeling and reduced control design methodology for high order systems with parameter uncertainties are discussed. The OP/ME design equations for reduced-order dynamic compensation including the effect of parameter uncertainties are reviewed. The application of the methodology to several Large Space Structures (LSS) problems of representative complexity is illustrated.

Hyland, D. C.↗
NASA NTRS1987

Earth anisotropic reflection and the orbit of LAGEOS

Radiation pressure due to sunlight anisotropically reflected from the oceans apparently cannot explain the fluctuations in the anomalous along-track deceleration of the LAGEOS satellite. It fails by about a factor of 2 to account for the major peaks in the acceleration. This result is based on an extreme model: a cloudless earth whose northern hemisphere consists of continent, and whose southern hemisphere consists of ocean. The continent is assumed to reflect sunlight according to Lambert's law, while the ocean reflects anisotropically according to a simple analytical law which mimics Nimbus 7 observations. The inclusion of clouds into the model would reduce the acceleration to perhaps an order of magnitude below those observed. Some other explanation for the fluctuations, which have magnitude about 2 x 10 to the -12th m/sec sq, must be sought.

Rubincam, David Parry↗
NASA NTRS1992

Effects of buoyancy-driven flow and thermal boundary conditions on physical vapor transport

A 2D numerical model was developed in order to ascertain if reduced gravity conditions are beneficial to physical vapor transport (PVT) and to determine its tolerance limits to residual accelerations. This was solved using the PHOENICS finite-volume code. Reduction of gravitational accelerations to less than 0.1 g0 was found to be sufficient to suppress buoyancy-driven convection to an extent that diffusion was the dominant transport mode, whence a greater uniformity in the growth rate could be obtained. It is shown that a uniform temperature gradient on the ampoule walls causes the vapor to be supersaturated throughout the ampoule, potentially resulting in undesirable nucleation at the walls. A 'hump' in the wall temperature profile can be used to avoid this. The prevailing transport conditions determine the size of the hump needed.

Nadarajah, Arunan↗
NASA NTRS1994

Dynamic analysis of Space Shuttle/RMS configuration using continuum approach

The initial assembly of Space Station Freedom involves the Space Shuttle, its Remote Manipulation System (RMS) and the evolving Space Station Freedom. The dynamics of this coupled system involves both the structural and the control system dynamics of each of these components. The modeling and analysis of such an assembly is made even more formidable by kinematic and joint nonlinearities. The current practice of modeling such flexible structures is to use finite element modeling in which the mass and interior dynamics is ignored between thousands of nodes, for each major component. The model characteristics of only tens of modes are kept out of thousands which are calculated. The components are then connected by approximating the boundary conditions and inserting the control system dynamics. In this paper continuum models are used instead of finite element models because of the improved accuracy, reduced number of model parameters, the avoidance of model order reduction, and the ability to represent the structural and control system dynamics in the same system of equations. Dynamic analysis of linear versions of the model is performed and compared with finite element model results. Additionally, the transfer matrix to continuum modeling is presented.

Ramakrishnan, Jayant↗
NASA NTRS1973

A modified Monte Carlo model for the ionospheric heating rates.

A Monte Carlo method is adopted as a basis for the derivation of the photoelectron-heat input into the ionospheric plasma. Since a great number of Monte Carlo runs are required normally for the computation of the heating rates, this approach is modified in an attempt to minimize the computation time. The heat-input distributions are computed for arbitrarily small source elements that are spaced apart at distances corresponding to the photoelectron dissipation range. By means of a nonlinear interpolation procedure their individual heating-rate distributions are utilized to produce synthetic ones that fill the gaps between the Monte Carlo generated distributions. By varying these gaps and the corresponding number of Monte Carlo runs the accuracy of the results is tested to verify the validity of this procedure. It is concluded that this model can reduce the computation time by as much as an order of magnitude, thus improving the feasibility of including Monte Carlo calculations in self-consistent ionosphere models.

Mayr, H. G.↗
NASA NTRS1984

Mathematical algorithms to maximize performance in numerical weather prediction

Numerical weather prediction models, which involve the solution of non-linear partial differential equations at points on an extensive three dimensional grid, are ideally suited for processing on vector machines. It was logical therefore that the new global forecast model to be implemented at the Meteorological Office should be written in vector code for the CYBER 205. In order to achieve full efficiency and to reduce storage requirements the model used 32-bit arithmetic which was found to provide high enough precision. Unfortunately, however, the trigonometrical and logarithmic functions provided by CDC could only handle 64-bit vectors and, although written in efficient scalar code, did not take advantage of the special facilities of a vector processor. It was therefore necessary to rewrite the functions in vector code to handle both 32 and 64-bit vectors. There was also no half-precision compiler available for the Cyber 205 at that time and so the functions, like the model, had to make extensive use of the special call syntax. This made the code more difficult to write but it allowed much greater flexibility in that it became possible to access the exponent of a floating-point number independently of its coefficient. A description is given of the technique and the results which were achieved are summarized.

Foreman, A.↗