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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

Infrared Computer-Generated Holograms: Design and Application for the WFIRST Grism Using Wavelength-Tuning Interferometry

Interferometers using computer-generated holograms (CGHs) have become the industry standard to accurately measure aspheric optics. The CGH is a diffractive optical element that can create a phase or amplitude distribution and can be manufactured with low uncertainty using modern lithographic techniques. However, these CGHs have conventionally been used with visible light and piezo-shifting interferometers. Testing the performance of transmissive optics in the infrared requires infrared CGHs and an infrared interferometer. Such an instrument is used in this investigation, which introduces its phase shift via wavelength-tuning. A procedure on how to design and manufacture infrared CGHs and how these were successfully used to model and measure the Wide-Field Infrared Survey Telescope grism elements is provided. Additionally, the paper provides a parametric model, simulation results, and calculations of the errors and measurements that come about when interferometers introduce a phase variation via wavelength-tuning interferometry to measure precision aspheres.

Communication↗
NASA NTRS2019

Bayesian Inference and the Effects of Varying Uncertainty Models in Charring Ablator Calibration and Uncertainty Quantification Problems

The Mars Science Laboratory (MSL) vehicle utilized a heat shield constructed from NASA’s Phenolic-Impregnated Carbon Ablator (PICA) material to protect the main structure from the high enthalpy environment encountered during hypersonic atmospheric entry. During the vehicle’s descent through Martian atmosphere, multiple thermocouples embedded within the heat shield captured in-depth material temperature data that allow for studies to be conducted on current material response reconstruction tools. In the present work, material temperature data obtained from thermocouples within the MISP-4 plug (MEDLI (Mars Science Laboratory Entry, Descent, and Landing Instrument) Integrated Sensor Plug) are utilized in the calibration of Theoretical Ablative Composite for Open Testing (TACOT) model parameters in conjunction with NASA’s Porous material Analysis Toolbox (PATO) through Bayesian inference where uncertainty due to parametric, modeling, and experimental sources is simultaneously quantified. Prior to the study, a sensitivity analysis is performed through computation of the robust Sobol indices in an effort to study the relationship between input space and model response and to reduce the dimensionality of the statistical inverse problem. The Bayesian inference methodology necessitates an a-priori choice to be made for the uncertainty model for which numerous possibilities are available. Across most works, however, only basic additive or multiplicative models are utilized with pre-defined magnitudes of uncertainty based on a-priori knowledge or to-be-calibrated multipliers of static covariance matrix structures. The present effort explores the effects of informed uncertainty models, ones with temporal dependence that are simultaneously calibrated through Bayesian inference, on calibrated results for parameters that make up the uncertain input space.

Sensitivity Analysis↗
DOE OSTI2020

An extended moments model of quantum efficiency for metals and semiconductors

The complexity of photocathode designs and detector materials, and the need to model their performance for short pulse durations, response to high frequency photons, presence of coatings and/or thinness of the absorptive layer, necessitates modifications to three-step and moments models of photoemission that are used in simulation codes. Here, methods to include input from computationally intensive approaches, such as density functional theory to model optical properties and transfer matrix approaches to treat emission from the surface or transport past coatings, by means of parametric models are demonstrated. First, a technique to accurately represent optical behavior so as to model reflectivity and penetration depth is given. Second, modifications to bulk models arising from the usage of thin film architectures, and a means to rapidly calculate them, is provided. Third, a parameterization to model the impact of wells associated with coatings and surface layers on the transmission probably is given. In all cases, the methods are computationally efficient and designed to allow for including input from numerically intensive approaches that would otherwise be unavailable for simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2003

Polar Heat Flow on Io

Recently, Galileo spacecraft data have revealed Io's polar regions to be much warmer than previously expected. This unexpected development came from Photo-Polarimeter Radiometer (PPR) data which show that the minimum night temperatures are in the range of 90-95 K virtually everywhere on Io. The minimum night temperatures show no dependence upon latitude and, when away from the sunset terminator, they show no dependence upon time of night. This is indeed bizarre behavior for surface units which generally had been assumed to be passive with respect to Io's pervasive volcanism. Night temperatures of 90-95 K at high, polar latitudes are particularly hard to explain. Even assuming infinite thermal inertia, at these latitudes there is insufficient sunlight to support these warm night temperatures. Thus, through the process of elimination of other possibilities, we come to the conclusion that these surfaces are volcanically heated. Taking previously passive units and turning them into new sources of heat flow is a radical departure from previous thermophysical model paradigms. However, the geological interpretation is straight forward. We are simply seeing the effect of old, cool lava flows which cover most of the surface of Io but yet have some heat to radiate. Under these new constraints, we have taken on the challenge of formulating a physical model which quantitatively reproduces all of the observations of Io's thermal emission. In the following we introduce a new parametric model which suffices to identify a previously unrecognized polar component of Io's heat flow.

Veeder, G. J.↗
NASA NTRS1998

Parameterizations of Pion Energy Spectrum in Nucleon-Nucleon Collisions

The effects of pion (PI) production are expected to play an important role in radiation exposures in the upper atmosphere or on the Martian surface. Nuclear databases for describing pion production are developed for radiation transport codes to support these studies. We analyze the secondary energy spectrum of pions produced in nucleon-nucleon (NN) collisions in the relativistic one-pion exchange model. Parametric formulas of the isospin cross sections for one-pion production channels are discussed and are used to renormalize the model spectrum. Energy spectra for the deuteron related channels (NN yields dPi) are also described.

Cucinotta, Franics A.↗
DOE OSTI2023

A general predictive methodology for fuel-mixture properties up to supercritical conditions

A predictive thermodynamic model is utilized for the calculation of fuel properties of oxymethylene dimethyl ethers (OME 3–4 ), surrogates for gasoline, diesel and aviation fuel, as well as alcohol blends with gasoline and diesel. The alcohols used for these blends are methanol, ethanol, propanol, butanol and pentanol; their mixing ratio ranges from 10 to 50% by volume. The model is based on the Perturbed-Chain Statistical Association Fluid Theory (PC-SAFT) equation of state (EoS) and Vapor Liquid Equilibrium (VLE) calculations at constant temperature, density and composition. The model includes the association term, with the assumption of two association sites (2B scheme), to enable the modeling of alcohols. The pure-component parameters are estimated based on the Group Contribution (GC) method of various sources, as well as a parametrization model specifically designed for the case of OME 3–4 . The results of the computational model for the density, vapor pressure and distillation curves at various conditions, including high-pressure, high-temperature (HPHT), are compared to experimental and computational data available in the literature. In the cases where no measurements are available for the surrogates, experimental data for the corresponding target fuel are used, taking into consideration the inherent deviation in properties between real and surrogate fuel. Overall, the results are in good agreement with the data from the literature, with the average deviation not exceeding 12% for temperature (Kelvin) on the distillation curves, 10% for density and 46% for vapor pressure and the general trend being captured successfully. The use of different pure component parameter estimation techniques can further improve the prediction quality in the cases of OME3–4 and the aviation fuel surrogate, especially for the vapor pressure, leading to an average deviation lower than 18%. These results demonstrate the predictive capabilities of the model, which extend to a wide range of fuel types and pressure/temperature conditions. Through this investigation, the present work aims to establish the limits of applicability of this thermodynamic property prediction methodology.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1992

Development of NASA/DOE NTP System Performance Models

A critical enabling technology in the evolutionary development of Nuclear Thermal Propulsion (NTP) is the ability to predict the system performance under a variety of operating conditions. The ability to predict the system performance is critical for mission analysis and for control subsystem testing, as well as for the modeling of various failure modes. Performance must be accurately predicted during steady-state and transient operation, such as start-up, shut-down and after-cooling. The development and application of verified and validated system models has the potential to reduce testing, cost and time required for the technology to again reach flight-ready status. An integrated NASA/DOE team was formed in late 1991 to develop and implement a strategy for modeling NTP systems. It is the intent of the interagency team to develop several levels of computer programs, which vary in detail, to simulate NTP systems based on either prismatic, particle or advanced fuel forms. This paper presents an overview of the models under development by the interagency team. In addition, the status of the development and validation efforts for the Level 1 steady-state parametric model is discussed.

Walton, James T.↗
DOE OSTI2022

When physics-informed data analytics outperforms black-box machine learning: A case study in thickness control for additive manufacturing

Aerosol jet printing (AJP) has emerged as a promising noncontact additive manufacturing method for high-resolution printing for a wide range of material systems. A key challenge limiting the broader adoption of AJP in the material science community is the lack of methods to precisely control thickness. Herein, we develop a model-based design of experiment (MBDoE) framework that integrates physics-informed models, nonlinear regression, and information criteria to postulate, select and calibrate the best model to describe and optimize the AJP manufacturing process. Starting with already available data from system commissioning (e.g., prior single variable sensitivity analysis), four candidate physics-informed models are postulated and trained. MBDoE identifies a single additional optimal experiment to validate these predictive models with quantified uncertainties, which are then used to determine the best experimental conditions to control printed film thickness. As a comparative benchmark, the analysis is repeated using the same dataset with nonparametric Gaussian process regression (GPR) model that does not incorporate physical information. Using MBDoE principles, we find that only five experiments are necessary to calibrate the nonlinear physics-informed parametric model, and with said limited data, this model outperforms the black-box machine learning GPR model. This key result underscores an emerging trend in the data science community: incorporating physical information into predictive models often drastically reduces the data requirements. Leveraging MBDoE further increased the data efficiency. By design, the proposed data science framework is general in nature and can be easily extended to other experimental and additive manufacturing systems beyond AJP.

Aerosol jet printing↗
DOE OSTI2023

Uncertainty-quantified phenomenological optical potentials for single-nucleon scattering

Optical-model potentials (OMPs) continue to play a key role in nuclear reaction calculations. However, the uncertainty of phenomenological OMPs in widespread use—inherent to any parametric model trained on data—has not been fully characterized, and its impact on downstream users of OMPs remains unclear. Here we assign well-calibrated uncertainties for two representative global OMPs, those of Koning-Delaroche and Chapel Hill '89, using Markov-chain Monte Carlo for parameter inference. By comparing the canonical versions of these OMPs against the experimental data originally used to constrain them, we show how a lack of outlier rejection and a systematic underestimation of experimental uncertainties contributes to bias of, and overconfidence in, best-fit parameter values. Our updated, uncertainty-quantified versions of these OMPs address these issues and yield complete covariance information for potential parameters. Scattering predictions generated from our ensembles show improved performance both against the original training corpora of experimental data and against a new “test” corpus comprising many of the experimental single-nucleon scattering data collected over the last twenty years. Finally, we apply our uncertainty-quantified OMPs to two case studies of application-relevant cross sections. We conclude that, for many common applications of OMPs, including OMP uncertainty should become standard practice. Furthermore, to facilitate their immediate use, digital versions of our updated OMPs and related tools for forward uncertainty propagation are included as Supplemental Material.

150 ≤ A ≤ 189↗
NASA NTRS1993

A two-dimensional model of the plasmasphere - Refilling time constants

A 2D model of the plasmasphere has been developed to study the temporal evolution of plasma density in the equatorial plane of the magnetosphere. This model includes the supply and loss of hydrogen ions due to ionosphere-magnetosphere coupling as well as the effects of E x B convection. A parametric model describing the required coupling fluxes has been developed which utilizes empirical models of the neutral atmosphere, the ionosphere and the saturated plasmasphere. The plasmaspheric model has been used to examine the time it takes for the plasmasphere to refill after it has been depleted by a magnetic storm. The time it takes for the plasmasphere to reach 90 percent of its equilibrium level ranges from 3 days at L = 3 during solar minimum to as high as 100 days at L = 5 during solar maximum. Refilling is also dependent on the month of the year, with refilling requiring a longer period of time at solar maximum during June than during December for L greater than 3.2.

Rasmussen, Craig E.↗
NASA NTRSDate not supplied

Statistical Analysis of Fading Power Vectors for Real-Time Atmospheric Channel Emulation

The design and testing of a free-space optical communication system requires assessment of the impact of random fluctuations in received power from a laser beam transmitted over an atmospheric channel. A number of methods for generating fading power vectors for in-lab emulation of an atmospheric channel have previously been reported. These techniques include spectral shaping and filtering of a signal from a normally distributed pseudo-random number generator, full wave optics simulations with random phase screens, and pre-recorded measurements from experimental free-space links. In this work, a statistical analysis of atmospheric fading is presented with the goal of producing a practical engineering model for the fading channel suitable for generating synthetic fade vectors in real-time for long-duration receiver testing with channel interleaving. Specifically, a parametric model is developed for turbulence-induced fade on space-to-ground links with large-aperture receivers, including aperture-averaging and the effects of aperture size on the instantaneous coupling efficiency for mode- limited receivers. In particular, we analyze the probability density function and temporal power spectrum for fluctuations of the coupling efficiency for few-mode fibers in a range of turbulence conditions.

free-space optical communication↗
NASA NTRSDate not supplied

Statistical Analysis of Fading Power Vectors for Real-Time Atmospheric Channel Emulation

The design and testing of a free-space optical communication system requires assessment of the impact of random fluctuations in received power from a laser beam transmitted over an atmospheric channel. A number of methods for generating fading power vectors for in-lab emulation of an atmospheric channel have previously been reported. These techniques include spectral shaping and filtering of a signal from a normally distributed pseudo-random number generator, full wave optics simulations with random phase screens, and pre-recorded measurements from experimental free-space links. In this work, a statistical analysis of atmospheric fading is presented with the goal of producing a practical engineering model for the fading channel suitable for generating synthetic fade vectors in real-time for long-duration receiver testing with channel interleaving. Specifically, a parametric model is developed for turbulence-induced fade on space-to-ground links with large-aperture receivers, including aperture-averaging and the effects of aperture size on the instantaneous coupling efficiency for mode-limited receivers. In particular, we analyze the probability density function and temporal power spectrum for fluctuations of the coupling efficiency for few-mode fibers in a range of turbulence conditions.

free-space optical communication↗
NASA NTRS2024

Sizing and Performance Analysis of a MW-Class Electrified Aircraft Propulsion (EAP) System for a Parallel Hybrid Turboprop Concept

Aircraft electrification has emerged as a pivotal research and development focus in the 21st century, gaining international momentum as a strategic approach to curtail fuel consumption and emissions in the civil aviation sector. Through the Electrified Powertrain Flight Demonstration (EPFD) project, NASA is collaborating with industry partners to develop and demonstrate Megawatt (MW) class Electrified Aircraft Propulsion (EAP) systems using regional turboprops, as well as single-aisle commercial transports. With the rapid emergence of novel EAP concepts, current efforts are focused on developing the capabilities to evaluate the impacts of electrification on vehicle-level performance. This requires parametric modeling at the conceptual design stage, using uncertainty propagation techniques to account for the high variability in EAP system architecture. This paper details an integrated approach to parametric sizing of multi-MW EAP systems in a large turboprop freighter concept with a parallel hybrid configuration. The primary goal is to assess vehicle-level performance sensitivities, such as range and fuel burn reduction, to variations in electrical system component-level performance metrics, including specific power, efficiency, and energy density, based on near-term EAP technology levels.

electrified aircraft propulsion↗
DOE OSTI2022

Non-Blind Deblurring for Fluorescence: A Deformable Latent Space Approach with Kernel Parameterization

We report N\non-blind deblurring (NBD) is a modeling method of the image deblurring problem in computer vision, where the blurring kernel is known or can be externally estimated. In this paper, we attempt to solve a parametric NBD problem, inspired by the simultaneous acquisition of ptychography and fluorescent imaging (FI). Ptychography is an imaging method that favors larger probes, i.e. convolutional kernels, while FI relies on a small probe for high resolution. Also, the kernel can be solved during ptychographic reconstruction. With Ptycho-FI using the same larger kernel, we can perform NBD on the blurred fluorescent images to achieve high-resolution FI, and thus speed up the experiments. To this end, we design a deep latent space deformation network that is directly parameterized by the kernel. The network consists of three components: encoder, deformer, and decoder, where the deformer is specifically meant to rectify the latent space representations of blurred images to a standard latent space, regardless of the kernel. The deformation network is trained with a two-stage training scheme. We conduct extensive experiments to confirm that our parametric model can adapt to drastically different blurring kernels and perform robust deblurring.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Understanding the Effect of Sample Geometry on Temperature Distribution during Optical Floating Zone Crystal Growth in Vacuum Environment through Heat Transfer Modeling

Optical floating zone furnaces (OFZ) have had a transformative impact on fundamental science due to their ability to rapidly produce large single crystals of a wide variety of complex materials. However, a quantitative understanding of the OFZ growth environment is generally lacking due to the difficulty of measuring the local sample temperatures during OFZ growth, as well as to the general lack of information about the temperature-dependent physical parameters needed to model heat transfer. To overcome these challenges, we apply a physics-based heat transfer model, parametrized by measurements from synchrotron experiments and a machine-learning (ML) algorithm, to simulate the temperature distributions of samples heated in an OFZ furnace in a vacuum environment. This model is used to quantitatively understand how the sample maximum temperature and temperature gradient (key parameters that influence the success of crystal growth) are affected by the rod size, rod shape, and heat-zone position on the rod. The results of this study can be applied to make informed decisions on how crystal growth parameters can be tuned to modify temperature profiles and to optimize crystal growth outcomes even when data on internal sample temperature profiles (e.g., those obtained through in situ synchrotron experiments) are not accessible.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A Coverage Self-Consistent Microkinetic Model for Vapor-Phase Formic Acid Decomposition over Pd/C Catalysts

An iterative approach utilizing density functional theory (DFT, PW91-GGA)-informed mean-field microkinetic models and reaction kinetics experiments is used to determine the reaction mechanism and the active site for formic acid (HCOOH, FA) decomposition over a Pd/C catalyst. Models parametrized using DFT energetics on clean Pd(100) and Pd(111) required large corrections to the DFT energetics for capturing our experimental data. Further, both Pd(111) and Pd(100) models predicted a high coverage of adsorbed CO (CO*), inconsistent with the assumption of a clean surface at which the rate parameters for these models were calculated. To better represent the active site under reaction conditions and explicitly account for the presence of CO*, subsequent microkinetic models were formulated using DFT energetics that were calculated on partially (5/9 ML) CO*-covered Pd (111) and (100) facets. Upon parameter adjustment, the resultant 5/9 ML CO*-covered Pd(100) model, although consistent in terms of CO* coverage, was unable to capture the dehydration path measured in the experiments and was, therefore, deemed not to offer an accurate representation of the active site for FA decomposition over Pd/C. In contrast, a partially CO*-covered Pd(111) model was better at representing the catalytic active site, as in addition to being consistent in terms of CO* coverages, it required small adjustments of the DFT parameters to accurately capture the experimental data set (both dehydrogenation and dehydration). Our results suggest that the reaction occurs via the spectroscopically elusive carboxyl (COOH*) intermediate and that spectator CO*-assisted decomposition pathways play an important role under typical experimental conditions. In addition, our study highlights the importance of striving for coverage self-consistent microkinetic models and for including spectator-assisted mechanisms in order to develop an improved picture of the active site under reaction conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Data-Driven Modeling of a High Capacity Cryogenic System for Control Optimization

The Cryogenic Moderator System (CMS) is responsible for maintaining a steady flow of cold neutrons for numerous physics experiments at the Spallation Neutron Source (SNS) in Oak Ridge National Laboratory (ORNL). Sudden losses in beam power, known as beam trips, cause a major disturbance to the CMS due to large step changes in cooling demands. Ongoing efforts on upgrading the neutron beam power from 1.4 to 2.0MW are expected to generate larger transients that can further strain the CMS subsystems if they are not properly controlled. To manage such disturbances, four flow valves and one electric heater are adjusted by five decentralized proportional-integral-derivative (PID) controllers. However, the original PID gains were calibrated empirically based only on tracking performance and not based on disturbance rejection. To address this issue without compromising current CMS operations, a control-oriented model was developed to recalibrate the PID controllers offline. The zero-dimensional (0-D) model was based on simple physics-based principles and data-driven system identification techniques. The CMS was broken into several subsystems for analysis, each of which corresponds to a parametric model tied to the thermodynamic states of the working fluid. The model parameters were identified using the nonlinear least squares method where the residuals were calculated from available sensor data. Simulation results show that the proposed model can capture the dynamics of the CMS at steady state and during beam trips.

Maldonado Puente, Bryan↗