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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
DOE OSTI2025

Uncertainty quantification and sensitivity analysis for SPERT III E-core reactivity measurement benchmarking

The Special Power Excursion Reactor Test (SPERT) III E-core experiment is important because it provides critical data on reactor behavior under significant reactivity insertions, which is essential for validating computer simulations and ensuring the safety of modern light water reactors. Its design similarities to contemporary reactors make it a valuable resource for understanding and mitigating extreme hazards in nuclear operations. The current study details the application of formal parametric uncertainty quantification and sensitivity analysis to a model of the SPERT-III E-core model for zero power reactivity benchmarking. Additionally, the reactivity impact from various modeling assumptions is quantified. Overall, an conservative estimate for an uncertainty in k$_{\text{eff}}$ of $\pm$1257 was observed. A less conservative, more realistic, uncertainty estimate of $\pm$1096 pcm can be justified by the potential for various parametric uncertainties to become negligible when sampled independently across the ~1400 pins in the core. The experimental results fall within both of these uncertainty bounds. Standardized regression coefficient as well as Sobol indices are used to identify the guide tube thicknesses as the primary contributors to the uncertainty in k$_{\text{eff}}$. Overall, this study provides information on how the uncertainties in input parameters and modeling methods impact simulated k$_{\text{eff}}$ values and can be used to aid model building efforts for future code validation with the SPERT-III E-core experiment.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Exploration of oxidative chemistry and secondary organic aerosol formation in the Amazon during the wet season: explicit modeling of the Manaus urban plume with GECKO-A

The GoAmazon 2014/5 field campaign took place in Manaus, Brazil, and allowed the investigation of the interaction between background-level biogenic air masses and anthropogenic plumes. We present in this work a box model built to simulate the impact of urban chemistry on biogenic secondary organic aerosol (SOA) formation and composition. An organic chemistry mechanism is generated with the Generator for Explicit Chemistry and Kinetics of Organics in the Atmosphere (GECKO-A) to simulate the explicit oxidation of biogenic and anthropogenic compounds. A parameterization is also included to account for the reactive uptake of isoprene oxidation products on aqueous particles. The biogenic emissions estimated from existing emission inventories had to be reduced to match measurements. The model is able to reproduce ozone and NO x for clean and polluted situations. The explicit model is able to reproduce background case SOA mass concentrations but does not capture the enhancement observed in the urban plume. The oxidation of biogenic compounds is the major contributor to SOA mass. A volatility basis set (VBS) parameterization applied to the same cases obtains better results than GECKO-A for predicting SOA mass in the box model. The explicit mechanism may be missing SOA-formation processes related to the oxidation of monoterpenes that could be implicitly accounted for in the VBS parameterization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

An overview of the Evaluation of Oxygen Interaction with Materials-third phase (EOIM-3) experiment: Space Shuttle Mission 46

The interaction of the atomic oxygen (AO) component of the low earth orbit (LEO) environment with spacecraft materials has been the subject of several flight experiments over the past 11 years. The effect of AO interactions with materials has been shown to be significant for long-lived spacecraft such as Space Station Freedom and has resulted in materials changes for externally exposed surfaces. The data obtained from previous flight experiments, augmented by limited ground-based evaluation, have been used to evaluate hardware performance and select materials. Questions pertaining to the accuracy of this data base remain, resulting from the use of long-term ambient density models to estimate the O-atom fluxes and fluences needed to calculate materials reactivity in short-term flight experiments. The EOIM-3 flight experiment was designed to produce benchmark AO reactivity data and was carried out during STS-46. Ambient density measurements were made with a quadrupole mass spectrometer which was calibrated for AO measurements in a unique ground-based test facility. The combination of these data with the predictions of ambient density models allows an assessment of the accuracy of measured reaction rates on a wide variety of materials, many of which had never been tested in LEO before. The mass spectrometer is also used to obtain a better definition of the local neutral and plasma environments resulting from interaction of the ambient atmosphere with various spacecraft surfaces. In addition, the EOIM-3 experiment was designed to produce information on the effects of temperature, mechanical stress, and solar exposure on the AO reactivity of a wide range of materials. An overview of the EOIM-3 methods and results are presented.

Leger, Lubert J.↗
NASA NTRS1999

Impact of Aircraft Emissions on Reactive Nitrogen over the North Atlantic Flight Corridor Region

The impact of aircraft emissions on reactive nitrogen in the upper troposphere (UT) and lowermost stratosphere (LS) was estimated using the NO(y)-O3 correlation obtained during the SASS Ozone and NO(x) Experiment (SONEX) carried out over the US continent and North Atlantic Flight Corridor (NAFC) region in October and November 1997. To evaluate the large scale impact, we made a reference NO(y)-O3 relationship in air masses, upon which aircraft emissions were considered to have little impact. For this purpose, the integrated input of NO(x) from aircraft into an air mass along a 10-d back trajectory (DELTA-NO(y)) was calculated based on the ANCAT/EC2 emission inventory. The excess NO(y) (dNO(y)) was calculated from the observed NO(y) and the reference NO(y)-O3 relationship. As a result, a weak positive correlation was found between the dNO(y) and DELTA-NO(y), and dNO(y) and NO(x)/NO(y) values, while no positive correlation between the dNO(y) and CO values was found, suggesting that dNO(y) values can be used as a measure of the NO(x) input from aircraft emissions. The excess NO(y) values calculated from another NO(y)-O3 reference relationship made using in-situ CN data also agreed with these dNO(y) values, within the uncertainties. At the NAFC region (45 N - 60 N), the median value of dNO(y) in the troposphere increased with altitude above 9 km and reached 70 pptv (20% of NO(y)) at 11 km. The excess NO(x) was estimated to be about half of the dNO(y) values, corresponding to 30% of the observed NO(x) level. Higher dNO(y) values were generally found in air masses where O3 = 75 - 125 ppbv, suggesting a more pronounced effect around the tropopause. The median value of dNO(y) in the stratosphere at the NAFC region at 8.5 - 11.5 km was about 120 pptv. The higher dNO(y) values in the LS were probably due to the accumulated effect of aircraft emissions, given the long residence time of affected air in the LS. Similar dNO(y) values were also obtained in air masses sampled over the US continent.

Koike, M.↗
NASA NTRS2011

Photocatalytic Active Radiation Measurements and Use

Photocatalytic materials are being used to purify air, to kill microbes, and to keep surfaces clean. A wide variety of materials are being developed, many of which have different abilities to absorb various wavelengths of light. Material variability, combined with both spectral illumination intensity and spectral distribution variability, will produce a wide range of performance results. The proposed technology estimates photocatalytic active radiation (PcAR), a unit of radiation that normalizes the amount of light based on its spectral distribution and on the ability of the material to absorb that radiation. Photocatalytic reactions depend upon the number of electron-hole pairs generated at the photocatalytic surface. The number of electron-hole pairs produced depends on the number of photons per unit area per second striking the surface that can be absorbed and whose energy exceeds the bandgap of the photocatalytic material. A convenient parameter to describe the number of useful photons is the number of moles of photons striking the surface per unit area per second. The unit of micro-einsteins (or micromoles) of photons per m2 per sec is commonly used for photochemical and photoelectric-like phenomena. This type of parameter is used in photochemistry, such as in the conversion of light energy for photosynthesis. Photosynthetic response correlates with the number of photons rather than by energy because, in this photochemical process, each molecule is activated by the absorption of one photon. In photosynthesis, the number of photons absorbed in the 400 700 nm spectral range is estimated and is referred to as photosynthetic active radiation (PAR). PAR is defined in terms of the photosynthetic photon flux density measured in micro-einsteins of photons per m2 per sec. PcAR is an equivalent, similarly modeled parameter that has been defined for the photocatalytic processes. Two methods to measure the PcAR level are being proposed. In the first method, a calibrated spectrometer with a cosine receptor is used to measure the spectral irradiance. This measurement, in conjunction with the photocatalytic response as a function of wavelength, is used to estimate the PcAR. The photocatalytic response function is determined by measuring photocatalytic reactivity as a function of wavelength. In the second method, simple shaped photocatalytic response functions can be simulated with a broad-band detector with a cosine receptor appropriately filtered to represent the spectral response of the photocatalytic material. This second method can be less expensive than using a calibrated spectrometer.

Davis, Bruce A.↗
DOE OSTI2023

Automated Symbolic Upscaling: 2. Model Generation for Extended Applicability Regimes

Abstract In this second part of the two paper series, we detail an algorithmic procedure for systematically implementing the generalized closure form strategy presented in Part 1. This strategy extends the applicability of homogenized models with respect to classical homogenization theory, as demonstrated in Part 1 where upscaled models are rigorously derived in moderately reactive physical regimes. After encoding the algorithm into Symbolica, an automated upscaling framework, we upscale two reactive mass transport problems and numerically validate the resulting nonlinear homogenized models by showing the absolute error estimates predicted by homogenization theory are satisfied. In both problems, nontrivial closure forms and closure problems are automatically formulated using the encoded strategy with no human interaction, nor prior knowledge regarding the closure required for the systems. We hope these demonstrations spark further interest in automated analytical frameworks for multiscale modeling, as such capabilities are invaluable for generating rigorous multiscale models of complex phenomena in porous media.

Pietrzyk, Kyle↗
NASA NTRS1991

He-3 and other lunar volatiles

Constraints are considered and estimates are given for the abundances of He-3, other noble gases, and chemically reactive volatiles (e.g., H, C, N, S, F, Cl) on the Moon. For the case of surface inventories, solar wind particles implanted into grains on the surface of the Moon provide an accessible, though not necessarily abundant, source of H, C, N and the noble gases. Solar wind implanted species are concentrated in the infest grain sized, and are only found in the upper few meters of the regolith, where there are grains that have been directly exposed to the Sun. Elemental abundances in surface soils are typically 10s of mg/g, and vary according to the exposure history of the soil. The abundance of the rare, but possibly economically important, isotope He-3 is typically a few mg/g. The largest uncertainty in estimates of the total lunar abundance of solar wind implanted species comes from the lack of knowledge of their distribution with depth below the upper meter or two. For the case of bulk inventories, constraints resulting from lunar sample analyses and from physical chemical models of volatile behavior during the hypothesized giant impact origin of the Moon is used to give estimated abundances.

Fegley, B., Jr.↗
DOE OSTI2021

High-power ferro-electric fast reactive tuner

We present a novel design of a FerroElectric Fast Reactive Tuner (FE-FRT) capable of modulating Mega VAR reactive power on a sub-microsecond time scale. We show detailed analytical estimates of the performance of this device and benchmark these estimates against finite element method eigenmode and frequency domain electromagnetic simulations.

43 PARTICLE ACCELERATORS↗
NASA NTRS1984

Infrared emission associated with chemical reactions on Shuttle and SIRTF surfaces

The infrared intensities which would be observed by the Shuttle Infrared Telescope Facility (SIRTF), and which are produced by surface chemistry following atmospheric impact on SIRTF and the shuttle are estimated. Three possible sources of reactants are analyzed: (1) direct atmospheric and scattered contaminant fluxes onto the shuttle's surface; (2) direct atmospheric and scattered contaminant fluxes onto the SIRTF sunshade; and (3) scattered fluxes onto the cold SIRTF mirror. The chemical reactions are primarily initiated by the dominent flux of reactive atomic oxygen on the surfaces. Using observations of the optical glow to constrain theoretical parameters, it is estimated for source (1) that the infrared glow on the SIRTF mirror will be comparable to the zodiacal background between 1 and 10 micron wavelengths. It is speculated that oxygen reacts with the atoms and the radicals bound in the organic molecules that reside on the shuttle and the Explorer surfaces. It is concluded that for source (2) that with suitable construction, a warm sunshade will produce insignificant infrared glow. It is noted that the atomic oxygen flux on the cold SIRTF mirror (3) is insufficient to produce significant infrared glow. Infrared absorption by the ice buildup on the mirror is also small.

Hollenbach, D. J.↗
DOE OSTI2021

Model predictive combustion control of a Gasoline Compression Ignition engine

Gasoline Compression Ignition is a novel combustion concept that derives its superiority from the high compression ratio of a compression ignition engine as well as the properties of gasoline fuel, such as longer ignition delay and higher volatility compared to diesel. Here, this combustion concept was experimentally tested on a 12.4L Class 8 truck engine. Based on these experimental data, prior efforts by the authors focused on the development of an engine model for a heavy-duty engine operating on a low-reactivity fuel. This engine model was leveraged within this study to investigate a combustion control strategy at different engine conditions and injection methods and was augmented to incorporate cycle-to-cycle combustion variations. State estimation is performed by means of a Kalman filter which feeds into a model predictive controller. The model predictive controller chooses control actions based on a predefined cost function under consideration of bounds reflecting physical constraints. The engine model was utilized to establish a state-space model that serves the Kalman filter and model predictive controller for estimation and prediction. A comparative study investigating control actions and engine behavior was performed with and without limiting in-cylinder peak pressure as well as combustion noise, which is of particular interest for early pilot injection strategies. In addition, the proposed control architecture was investigated at two different levels of cycle-to-cycle variations and compared to the performance of a control structure with input disturbance rejection. For increased cycle-to-cycle variations, disturbance estimation reduces state fluctuations and control effort. In general, this investigation highlights control aspects specific to a compression-ignited combustion regime with low-reactivity fuel. The control algorithm is able to maintain the desired references for brake mean effective pressure and combustion phasing while controlling peak in-cylinder pressure and combustion noise.

42 ENGINEERING↗
NASA NTRS1995

The fate of atmospheric phosgene and the stratospheric chlorine loadings of its parent compounds: CCl4, C2Cl4, C2HCL3, CH3CCl3, and CHCl3

A study of the tropospheric and stratospheric cycles of phosgene is carried out to determine its fate and ultimate role in controlling the ozone depletion potentials of its parent compounds. Tropospheric phosgene is produced from the OH-initiated oxidation of C2Cl4, CH3CCl3, CHCl3, and C2HCl3. Simulations using a two-dimensional model indicate that these processes produce about 90 pptv/yr of tropospheric phosgene with an average concentration of about 18 pptv, in reasonable agreement with observations. We estimate a residence time of about 70 days for tropospheric phosgene, with the vast majority being removed by hydrolysis in cloudwater. Only about 0.4% of the phosgene produced in the troposphere avoids wet removal and is transported to the stratosphere, where its chlorine can be released to participate in the catalytic destruction of ozone. Stratospheric phosgene is produced from the photochemical degradation of CCl4, C2Cl4, CHCl3, and CH3CCl3 and is removed by photolysis and downward transport to the troposphere. Model calculations, in good agreement with observations, indicate that these processes produce a peak stratospheric concentration of about 25-30 pptv at an altitude of about 25 km. In contrast to tropospheric phosgene, stratospheric phosgene is found to have a lifetime against photochemical removal of the order of years. As a result, a significant portion of the phosgene that is produced in the stratosphere is ultimately returned to the troposphere, where it is rapidly removed by clouds. This phenomenon effectively decreases the amount of reactive chlorine injected into the stratosphere and available for ozone depletion from phosgene's parent compounds. A similar phenomenon due to the downward transport of stratospheric COFCl produced from CFC-11 is estimated to cause a 7% decrease in the amount of reactive chlorine injected into the stratosphere from this compound. Our results are potentially sensitive to a variety of parameters, most notably the rate of reaction of phosgene with sulfate aerosols. However, on the basis of the observed vertical distribution of COCl2, we estimate that the reaction of COCl2 with sulfate aerosol most likely has a gamma less than 5 x 10(exp -5) and, as a result, has a negligible impact on the stratospheric chlorine loadings of the phosgene parent compounds.

Kindler, T. P.↗
DOE OSTI2025

Welch Method and Bootstrapping Applied to Subcritical Gamma Noise

We measured the prompt neutron decay constant 𝛼 of the CROCUS zero-power reactor at the Swiss Federal Institute of Technology Lausanne using cross-power spectral density (CPSD) analysis of gamma-gamma correlations from two trans-stilbene organic scintillators positioned near the reactor core. We measured critical and subcritical states, with water levels ranging from 960 mm (critical) to 800 mm (𝜌=−1.4 $ subcritical). Our analysis used the Welch method, dividing signal segments for fast Fourier transform (FFT) frequency analysis and applying bootstrapping uncertainty quantification that uses Welch-defined segments. Results demonstrated a clear increase in the measured 𝛼 as reactor reactivity decreased, distinguishing critical from subcritical conditions. At the 960-mm critical level, 𝛼 was estimated at 155.9 ± 0.7 s −1 , and for the 800-mm subcritical level, 𝛼 increased significantly to 367.3 ± 6.9 s –1 . A linear regression of subcritical states yielded a critical estimate of 154.0 ± 3.1 s –1 , aligning with the static 𝛼 estimate at critical. The bootstrapping method produced normally distributed 𝛼 estimates, confirming data consistency. The gamma CPSD 𝛼 estimates clearly distinguish reactor states and improve monitoring of zero-power reactors. The future deployment of modular and microreactors as potential candidates for noise analysis is demonstrated in CROCUS, particularly zero-power mock-ups of new designs. The improvement of noise analysis in the subcritical domain from this work will support experimental data for reactor deployment and procedure.

CROCUS↗
NASA NTRS1968

Rate constants measured for hydrated electron reactions with peptides and proteins

Effects of ionizing radiation on the amino acids of proteins and the reactivity of the protonated amino group depends upon the pK subscript a of the group. Estimates of the rate constants for reactions involving the amino acid side chains are presented. These rate constants gave an approximate rate constant for three different protein molecules.

Braams, R.↗
NASA NTRS1987

Isoelectric focusing-affinity immunoblot analysis of mouse monoclonal antibodies to the four human IgG subclasses

Isoelectric focusing (IEF)/affinity immunoblotting and enzyme-linked immunosorbent assay (ELISA) were used for parallel analysis of murine monoclonal antihuman IgG-subclass antisera (MoAbs). Coomassie Blue-stained protein bands in the pH region 5.5-8.0 were shown to be murine IgG by direct blotting onto nitrocellulose followed by detection with conjugated antimouse IgG. Use of IgG myeloma antigen-coated nitrocellulose in the IEF-affinity immunoblot allowed detection of the charge microheterogeneity of MoAbs. The MoAb group contained one to five major dense bands flanked by up to four minor fainter bands, all with pIs ranging from 6.1 to 7.8. Semiquantitative estimates of binding specificity in the IEF-affinity blot compared well with cross-reactivity data obtained from a quantitative ELISA.

Hamilton, Robert G.↗
NASA NTRS1990

Gas and dust emission from comets and life spans of active areas on their rotating nuclei

Outgassing and dust emission from discrete regions on the nuclei of comets are investigated with regard to the processes of activation, dormancy, reactivation, and extinction. With regard to P/Halley, P/Encke, P/Tempel 2, P/Machholz, P/Takamizawa, Bowell and some other new comets, the evolution of one active region of the nucleus surface appears to be independent of the evolution of another active region. The traditional concept of deactivation as a slow and monolithic process needs to be replaced with a more dynamic concept of intermittent periods of dormancy and reactivation of individual vents, varying in size. Life spans of discrete sources of activity are estimated to be at a few hundred revolutions about the sun for comets with perihelia at heliocentric distances of less than 2 AU, if the bulk density is very low.

Sekanina, Z.↗
NASA NTRS2005

NASA Tech Briefs, June 2005

Topics covered include: Apparatus Characterizes Transient Voltages in Real Time; Measuring Humidity in Sealed Glass Encasements; Adaptable System for Vehicle Health and Usage Monitoring; Miniature Focusing Time-of-Flight Mass Spectrometer; Cryogenic High-Sensitivity Magnetometer; Wheel Electrometer System; Carbon-Nanotube Conductive Layers for Thin-Film Solar Cells; Patch Antenna Fed via Unequal-Crossed-Arm Aperture; LC Circuits for Diagnosing Embedded Piezoelectric Devices; Nanowire Thermoelectric Devices; Code for Analyzing and Designing Spacecraft Power System Radiators; Decision Support for Emergency Operations Centers; NASA Records Database; Real-Time Principal- Component Analysis; Fuzzy/Neural Software Estimates Costs of Rocket- Engine Tests; Multicomponent, Rare-Earth-Doped Thermal-Barrier Coatings; Reactive Additives for Phenylethynyl-Containing Resins; Improved Gear Shapes for Face Worm Gear Drives; Alternative Way of Shifting Mass to Move a Spherical Robot; Parylene C as a Sacrificial Material for Microfabrication; In Situ Electrochemical Deposition of Microscopic Wires; Improved Method of Manufacturing SiC Devices; Microwave Treatment of Prostate Cancer and Hyperplasia; Ferroelectric Devices Emit Charged Particles and Radiation; Dusty-Plasma Particle Accelerator; Frozen-Plug Technique for Liquid-Oxygen Plumbing; Shock Waves in a Bose-Einstein Condensate; Progress on a Multichannel, Dual-Mixer Stability Analyzer; Development of Carbon- Nanotube/Polymer Composites; Thermal Imaging of Earth for Accurate Pointing of Deep-Space Antennas; Modifications of a Composite-Material Combustion Chamber; Modeling and Diagnostic Software for Liquefying- Fuel Rockets; and Spacecraft Antenna Clusters for High EIRP.

Source record↗
DOE OSTI2025

A quantitative risk assessment framework for fault reactivation in underground hydrogen storage: Coupled simulation and deep learning approach

Underground hydrogen storage (UHS) is emerging as a critical solution for large-scale energy storage. However, like all subsurface fluid injection activities, UHS poses the risk of injection-induced fault reactivation. Accurate risk assessment is essential to ensuring the safety and efficiency of UHS operations. This study presents the development of deep-learning surrogate models for fault reactivation prediction in UHS, trained on a comprehensive database of fully coupled fluid flow-geomechanics simulations. Our findings reveal that analytical models often yield unreliable estimates, with errors up to 54% in the allowable injection pressure, potentially leading to a 40% reduction in UHS operational capacity. The developed surrogate models were incorporated into a quantitative risk assessment (QRA) framework, enabling probabilistic evaluation of fault reactivation risk while accounting for uncertainties in the input variables. Site-specific features, such as horizontal stress gradients, fault’s dip and strike angles, and operational parameters like bottom-hole injection pressure and well-fault distance, were identified as the primary drivers of fault reactivation across various stress regimes. Whereas other hydraulic, geological, and poroelastic reservoir properties were found to have a secondary impact. Notably, we observed that the risk of fault reactivation for a critically oriented fault with a static friction coefficient greater than 0.55 remains below 10% in a normal faulting stress regime. However, the risk significantly increases as the stress regime transitions from normal to strike-slip and ultimately to reverse faulting conditions. These findings underscore the importance of rigorous site characterization and comprehensive QRA evaluations to optimize UHS performance and minimize geomechanical risks.

25 ENERGY STORAGE↗