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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 NTRS1999

Differential Scanning Calorimetry and Evolved Gas Analysis of Hydromagnesite

Volatile-bearing minerals (e.g., Fe-oxyhydroxides, phyllosilicates, carbonates and sulfates) may be important phases on the surface of Mars. In order to characterize these phases the Thermal and Evolved Gas Analyzer (TEGA) flying on the Mars'98 lander will perform analyses on surface samples from Mars. Hydromagnesite [Mg5(CO3)4(OH)2.4H2O] is considered a good standard mineral to examine as a Mars soil analog component because it evolves both H2O and CO2 at temperatures between 0 and 600 C. Our aim here is to interpret the DSC signature of hydromagnesite under ambient pressure and 20 sccm N2 flow in the range 25 to 600 C. The DSC curve for hydromagnesite under the above conditions consists of three endothermic peaks at temperatures 296, 426, and 548 and one sharp exotherm at 511 C. X-ray analysis of the sample at different stop temperatures suggested that the exotherm corresponded with the formation of crystalline magnesite. The first endotherm was due to dehydration of hydromagnesite, and then the second one was due to the decomposition of carbonate, immediately followed by the formation of magnesite (exotherm) and its decomposition to periclase (last endotherm). Evolution of water and CO2 were consistent with the observed enthalpy changes. A library of such DSC-evolved gas curves for putative Martian minerals are currently being acquired in order to facilitate the interpretation of results obtained by a robotic lander.

Lauer, H. V., Jr.↗
DOE OSTI2016

Tidal Marshes across a Chesapeake Bay Subestuary Are Not Keeping up with Sea-Level Rise

Sea-level rise is a major factor in wetland loss worldwide, and inmuch of Chesapeake Bay (USA) the rate of sea-level rise is higher than the current global rate of 3.2 mmyr -1 due to regional subsidence.Marshes along estuarine salinity gradients differ in vegetation composition, productivity, decomposition pathways, and sediment dynamics, andmay exhibit different responses to sea-level rise. Coastal marshes persist by building vertically at rates at or exceeding regional sea-level rise. In one of the first studies to examine elevation dynamics across an estuarine salinity gradient, we installed 15 surface elevation tables (SET) and accretion marker-horizon plots (MH) in tidal freshwater, oligohaline, and brackish marshes across a Chesapeake Bay subestuary. Over the course of four years, wetlands across the subestuary decreased 1.8 ± 2.7 mmyr -1 in elevation on average, at least 5 mmyr -1 below that needed to keep pace with global sea-level rise. Elevation change rates did not significantly differ among themarshes studied, and ranged from-9.8 ± 6.9 to 4.5 ± 4.3 mmyr -1 . Surface accretion of depositedmineral and organic matter was uniformly high across the estuary (~9–15 mmyr -1 ), indicating that elevation loss was not due to lack of accretionary input. Position in the estuary and associated salinity regime were not related to elevation change or surface matter accretion. In conclusion, previous studies have focused on surface elevation change inmarshes of uniformsalinity (e.g., salt marshes); however, our findings highlight the need for elevation studies inmarshes of all salinity regimes and different geomorphic positions, and warn that brackish, oligohaline, and freshwater tidal wetlands may be at similarly high risk of submergence in some estuaries.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Machine-learning identification of the variability of mean velocity and turbulence intensity for wakes generated by onshore wind turbines: Cluster analysis of wind LiDAR measurements

Light detection and ranging (LiDAR) measurements of isolated wakes generated by wind turbines installed at an onshore wind farm are leveraged to characterize the variability of the wake mean velocity and turbulence intensity during typical operations, which encompass a breadth of atmospheric stability regimes and rotor thrust coefficients. The LiDAR measurements are clustered through the k-means algorithm, which enables identifying the most representative realizations of wind turbine wakes while avoiding the imposition of thresholds for the various wind and turbine parameters. Considering the large number of LiDAR samples collected to probe the wake velocity field, the dimensionality of the experimental dataset is reduced by projecting the LiDAR data on an intelligently truncated basis obtained with the proper orthogonal decomposition (POD). The coefficients of only five physics-informed POD modes are then injected in the k-means algorithm for clustering the LiDAR dataset. The analysis of the clustered LiDAR data and the associated supervisory control and data acquisition and meteorological data enables the study of the variability of the wake velocity deficit, wake extent, and wake-added turbulence intensity for different thrust coefficients of the turbine rotor and regimes of atmospheric stability. Furthermore, the cluster analysis of the LiDAR data allows for the identification of systematic off-design operations with a certain yaw misalignment of the turbine rotor with the mean wind direction.

17 WIND ENERGY↗
DOE OSTI2025

Intrinsic Kinetics of Polyethylene Terephthalate Pyrolysis via Micropyrolysis and Multivariate Chromatographic Analysis

This study provides an in-depth investigation of the primary decomposition of polyethylene terephthalate (PET) via pyrolysis, employing an experimental-analytic workflow that integrates design of experiments (DoE), micropyrolysis coupled with comprehensive two-dimensional gas chromatography (GC×GC), and multivariate data analysis to verify intrinsic kinetic conditions and elucidate evolving product distributions for mapping key reaction pathways. Peaks that could not be identified using commercial spectral libraries were assigned using Mass Frontier simulations, enabling the identification of divinyl terephthalate, ethyl vinyl terephthalate, and 2-(benzoyloxy)ethyl vinyl terephthalate. A polar×polar (non-orthogonal) column set tailored for the detection of carboxylic acids enhanced the quantification of benzoic acid, 4-vinylbenzoic acid, 4-ethylbenzoic acid, and methylbenzoic acid by up to 6-fold relative to an orthogonal column combination (non-polar×mid-polar). Moreover, pyrolysis variables were systematically evaluated using a Box- Behnken design (BBD), encompassing pyrolysis temperature (500−600 °C), sample weight (50−150 μg), and carrier gas flow rate (100−300 mL min −1 ). Among these, pyrolysis temperature was the only statistically significant factor influencing product yields, ranging from 58.78 to 84.26 wt %. In contrast, neither the sample weight nor the carrier gas flow rate had a significant effect on product yields within the evaluated experimental space. At 600 °C, the major pyrolysis products were benzoic acid (up to 20.20 ± 1.46 wt %) and CO 2 (up to 21.28 ± 1.46 wt %), which can be produced through decarboxylation reactions. These findings underscore the critical importance of selecting appropriate analytical columns for the accurate quantification of heteroatomcontaining products such as carboxylic acids, which may otherwise be underestimated or undetected due to their reactivity with the stationary phase of non-polar and mid-polar columns, as well as other GC components. They also highlight the importance of selecting pyrolysis conditions for investigating the primary decomposition of PET under an isothermal kinetically limited regime.

aromatic compounds↗
DOE OSTI2015

Desensitizing ignition of energetic materials when exposed to accidental fire

Composite energetic materials combine fuel and oxidizers for high energy density exothermic reactions and are used for ordnance, industrial and localized power generation applications. This study focuses on examining an additive to a mixture of aluminum (Al) and copper oxide (CuO) to decrease ignition sensitivity under accidental fire exposure conditions. Ammonium nitrate (AN) was incorporated into Al+CuO, as a 1:1 replacement for CuO, for varied equivalence ratios and examined for ignition and combustion when exposed to slow and fast heating rate ignition conditions. The goal was to develop an Al+CuO+AN formulation that would perform comparable to Al+CuO when intentionally ignited, but would not ignite in an accidental fire. Experimental results show that Al+CuO+AN with an equivalence ratio (ER) ranging from 4.0–5.5 inerts the reactants when exposed to slow heating conditions, yet ignites with comparative combustion performance to the baseline Al+CuO mixture when exposed to fast heating conditions. These results are consistent with thermochemical simulations of the heat of combustion and adiabatic flame temperature for the respective reactions. In conclusion, this study presents a new approach for tailoring composite energetic materials toward accidental fire safety by exploiting the early stage decomposition kinetics of AN, which are activated only by slow heating ignition conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

An infrared spectral database for gas-phase quantitation of volatile per- and polyfluoroalkyl substances (PFAS)

We report the construction of a database of vetted infrared spectra specifically targeting volatile fluorocarbon gases that may be emitted during thermal treatment of per- and polyfluoroalkyl substances (PFAS) to assist understanding of treatment processes and improve quantification. To populate this database, protocols derived from the Pacific Northwest National Laboratory (PNNL) infrared spectral database are used, curtailing the species selection for this data set. Each spectrum in the database is a weighted average derived from 10 or more individual measurements at different partial pressures (static method) or flow rates (dissemination method) to yield good fidelity of both strong and weak infrared signatures, with each composite spectrum ranging from = 6500 cm-1 to = 600 cm-1 with an apodized resolution of 0.112 cm-1. This resolution was chosen to fully resolve all spectral features, recognizing that atmospheric pressure broadening results in nearly all ro-vibrational lines having linewidths = 0.1 cm-1. As an example case, application of the database is demonstrated via identification and quantification of dominant 1H-perfluoroheptane and perfluorohept-1-ene fluorocarbon products resulting from thermal decomposition of perfluorooctanoate (PFOA) below 450 °C.

Infrared, Gas-phase spectra, FTIR, Spectral databa↗
DOE OSTI2020

Observed volatilization behavior of silicon carbide in flowing hydrogen above 2000 K

In this work, the intrinsic compatibility of silicon carbide (SiC) and hydrogen (H 2 ) at high temperatures (2000-2473 K) and pressure near one atmosphere was evaluated through a combination of thermodynamic calculations and hot hydrogen exposure testing. Thermodynamic calculations predict the decomposition of SiC in a hydrogen environment to form free silicon (Si) and free carbon (C). Free Si is predicted to vaporize from the surface as a volatile species, while free C may interact with H 2 to form the hydrocarbons CH 4 (T < 2100 K) or C 2 H 2 (T > 2100 K). Coupons of high purity chemical vapor deposition (CVD) β-SiC were exposed to slowly flowing hydrogen at temperatures ranging between 2000 and 2473 K. SiC experienced active attack as the result of H 2 exposure, exhibiting linear weight loss kinetics and an Arrhenius dependence of weight loss on exposure temperature. The linear volatilization constant was experimentally evaluated to correspond with an activation energy of 370 ± 18 kJ/mol. Due to the dependence of observed corrosion rates on gas velocity, corrosion of SiC in flowing H 2 was determined to be governed by external mass transfer of volatile Si species through the boundary layer. Experimentally derived mass losses were in good agreement with mass losses predicted by a boundary layer limited gas diffusion model.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Optimal dimensionality selection for independent component analysis of transcriptomic data

Independent component analysis is an unsupervised machine learning algorithm that separates a set of mixed signals into a set of statistically independent source signals. Applied to high-quality gene expression datasets, independent component analysis effectively reveals both the source signals of the transcriptome as co-regulated gene sets, and the activity levels of the underlying regulators across diverse experimental conditions. Two major variables that affect the final gene sets are the diversity of the expression profiles contained in the underlying data, and the user-defined number of independent components, or dimensionality, to compute. Availability of high-quality transcriptomic datasets has grown exponentially as high-throughput technologies have advanced; however, optimal dimensionality selection remains an open question. We computed independent components across a range of dimensionalities for four gene expression datasets with varying dimensions (both in terms of number of genes and number of samples). We computed the correlation between independent components across different dimensionalities to understand how the overall structure evolves as the number of user-defined components increases. We then measured how well the resulting gene clusters reflected known regulatory mechanisms, and developed a set of metrics to assess the accuracy of the decomposition at a given dimension. We found that over-decomposition results in many independent components dominated by a single gene, whereas under-decomposition results in independent components that poorly capture the known regulatory structure. From these results, we developed a new method, called OptICA, for finding the optimal dimensionality that controls for both over- and under-decomposition. Specifically, OptICA selects the highest dimension that produces a low number of components that are dominated by a single gene. We show that OptICA outperforms two previously proposed methods for selecting the number of independent components across four transcriptomic databases of varying sizes. OptICA avoids both over-decomposition and under-decomposition of transcriptomic datasets resulting in the best representation of the organism’s underlying transcriptional regulatory network.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

SERDP PFAS 2.0 - An infrared spectral database for gas-phase quantitation of volatile per- and polyfluoroalkyl substances (PFAS)

We report the construction of a database of vetted infrared spectra specifically targeting volatile fluorocarbon gases that may be emitted during thermal treatment of per- and polyfluoroalkyl substances (PFAS) to assist understanding of treatment processes and improve quantification. To populate this database, protocols derived from the Pacific Northwest National Laboratory (PNNL) infrared spectral database are used, curtailing the species selection for this data set. Each spectrum in the database is a weighted average derived from 10 or more individual measurements at different partial pressures (static method) or flow rates (dissemination method) to yield good fidelity of both strong and weak infrared signatures, with each composite spectrum ranging from = 6500 cm-1 to = 600 cm-1 with an apodized resolution of 0.112 cm-1. This resolution was chosen to fully resolve all spectral features, recognizing that atmospheric pressure broadening results in nearly all ro-vibrational lines having linewidths = 0.1 cm-1. As an example case, application of the database is demonstrated via identification and quantification of dominant 1H-perfluoroheptane and perfluorohept-1-ene fluorocarbon products resulting from thermal decomposition of perfluorooctanoate (PFOA) below 450 °C.

Infrared, Gas-phase spectra, FTIR, Spectral databa↗
NASA NTRS1976

The preparation of calcium superoxide for air breathing and scrubbing applications

There is interest in the preparation of high-purity calcium superoxide as an oxygen source for breathing apparatus because both the available oxygen and the capacity for carbon dioxide removal, per unit weight of superoxide, are higher than that of a number of other chemical oxygen sources. A review of earlier findings shows that the general method used by Vol'nov and coworkers for the decomposition of calcium peroxide diperoxyhydrate can yield preparations containing more than 58.4% calcium superoxide maximum predicted for an equimolar disproportionation reaction. The decomposition of solid calcium peroxide diperoxyhydrate is studied using an apparatus that allows good control of the critical reaction parameters. The removal of water from decomposing calcium peroxide diperoxyhydrate, before the same water has an opportunity to back react with the calcium superoxide formed in the reaction, constitutes the rationale of the experiments. Even with allowance for the anomalies observed in the analytical results, the yields appear to be in the 65+ percent range, and optimization of the experimental variables is still being pursued.

Ballou, E. V.↗
NASA NTRS1977

Reaction rates for O3 + HCl yielding O + O2 + HCl, Cl + O3 yielding ClO + O2, and HCl + O yielding OH + Cl at elevated temperatures

Ozone and a much greater quantity of hydrogen chloride, slightly diluted by oxygen and argon, were heated by a shock wave process to temperatures in the range 480-1300 K at pressures from four to eight atmospheres. From variations in ozone concentration, determined by the attentuation of 2537-A radiation, the rate coefficient for the reaction O3 + HCl yielding O + O2 + HCl was determined to be k1 = (4.0 plus or minus 1.5) x 10 to the minus 10 exp(-10,408/T)cm3/s for temperatures of 480-720 K. From the concentration of ClO remaining at the end of ozone decomposition the rate coefficients for the reactions Cl + O3 yielding ClO + O2 and HCl + O yielding OH + Cl were also deduced for a temperature of about 1100 K.

Park, C.↗
DOE OSTI2013

Handling of Ammonium Nitrate Mother-Liquid Radiochemical Production - 13089

The aim of the work is to develop a basic technology of decomposition of ammonium nitrate stock solutions produced in radiochemical enterprises engaged in the reprocessing of irradiated nuclear fuel and fabrication of fresh fuel. It was necessary to work out how to conduct a one-step thermal decomposition of ammonium nitrate, select and test the catalysts for this process and to prepare proposals for recycling condensation. Necessary accessories were added to a laboratory equipment installation decomposition of ammonium nitrate. It is tested several types of reducing agents and two types of catalyst to neutralize the nitrogen oxides. It is conducted testing of modes of the process to produce condensation, suitable for use in the conversion of a new technological scheme of production. It is studied the structure of the catalysts before and after their use in a laboratory setting. It is tested the selected catalyst in the optimal range for 48 hours of continuous operation. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Shock initiation of nano-Al/Teflon: High dynamic range pyrometry measurements

In this paper, laser-launched flyer plates (25 μm thick Cu) were used to impact-initiate reactive materials consisting of 40 nm Al particles embedded in Teflon AF polymer (Al/Teflon) on sapphire substrates at a stoichiometric concentration (2.3:1 Teflon:Al), as well as one-half and one-fourth that concentration. A high dynamic range emission spectrometer was used to time and spectrally resolve the emitted light and to determine graybody temperature histories with nanosecond time resolution. At 0.5 km s -1 , first light emission was observed from Teflon, but at 0.6 km s -1 , the emission from Al/Teflon became much more intense, so we assigned the impact threshold for Al/Teflon reactions to be 0.6 (±0.1) km s -1 . The flyer plates produced a 7 ns duration steady shock drive. Emission from shocked Al/Teflon above threshold consisted of two bursts. At the higher impact velocities, the first burst started 15 ns after impact, peaked at 25 ns, and persisted for 75 ns. The second burst started at a few hundred nanoseconds and lasted until 2 μs. The 15 ns start time was exactly the time the flyer plate velocity dropped to zero after impact with sapphire. The first burst was associated with shock-triggered reactions and the second, occurring at ambient pressure, was associated with combustion of leftover material that did not react during shock. The emission spectrum was found to be a good fit to a graybody at all times, allowing temperature histories to be extracted. At 25 ns, the temperature at 0.7 km s -1 and the one-fourth Al load was 3800 K. Those temperatures increased significantly with impact velocity, up to 4600 K, but did not increase as much with Al load. A steady combustion process at 2800 (±100) K was observed in the microsecond range. Finally, the minimal dependence on Al loading indicates that these peak temperatures arise primarily from Al nanoparticles reacting almost independently, since the presence of nearby heat sources had little influence on the peak temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Implementing the three-particle quantization condition for π + π + K + and related systems

Recently, the formalism needed to relate the finite-volume spectrum of systems of nondegenerate spinless particles has been derived. In this work we discuss a range of issues that arise when implementing this formalism in practice, provide further theoretical results that can be used to check the implementation, and make available codes for implementing the three-particle quantization condition. Specifically, we discuss the need to modify the upper limit of the cutoff function due to the fact that the left-hand cut in the scattering amplitudes for two nondegenerate particles moves closer to threshold; we describe the decomposition of the three-particle amplitude K df,3 into the matrix basis used in the quantization condition, including both s and p waves, with the latter arising in the amplitude for two nondegenerate particles; we derive the threshold expansion for the lightest three-particle state in the rest frame up to O(1/L 5 ); and we calculate the leading-order predictions in chiral perturbation theory for K df,3 in the π + π + K + and π + K + K + systems. We focus mainly on systems with two identical particles plus a third that is different (“2+1” systems). We describe the formalism in full detail, and present numerical explorations in toy models, in particular checking that the results agree with the threshold expansion, and making a prediction for the spectrum of π + π + K + levels using the two- and three-particle interactions predicted by chiral perturbation theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Template Synthesis of Monodisperse Submicrometer Spherical Nanoporous Silicon Particles

Monodisperse spherical nanoporous silicon (np-Si) particles of submicrometer size are fabricated with mesoporous silica particles as a template. Silicon is synthesized within the mesopores of monodisperse silica particles by the thermal decomposition of monosilane. Then, the template material (a-SiO{sub 2}) is removed by wet etching. The particles obtained have a small root-mean-square size scatter (no more than 10%) and large specific surface area (250 m{sup 2} g{sup –1}) and pore volume (0.5 cm{sup 3} g{sup –1}). It is shown that np-Si particles exhibit photoluminescence in the visible and near-IR (infrared) spectral ranges.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

A Surrogate-Based Asynchronous Decomposition Technique for Realistic Security-Constrained Optimal Power Flow Problems

Here we present a decomposition approach for obtaining good feasible solutions for the security-constrained, alternating-current, optimal power flow (SC-AC-OPF) problem at an industrial scale and under real-world time and computational limits. The approach was designed while preparing and participating in ARPA-E’s Grid Optimization Competition (GOC) Challenge 1. The challenge focused on a near-real-time version of the SC-AC-OPF problem, where a base operating point is optimized, taking into account possible single-element contingencies, after which the system adapts its operating point following the response of automatic frequency droop controllers and voltage regulators. Our solution approach for this problem relies on state-of-the-art nonlinear programming algorithms, and it employs nonconvex relaxations for complementarity constraints, a specialized two-stage decomposition technique with sparse approximations of recourse terms and contingency ranking and prescreening. The paper describes and justifies our approach and outlines the features of its implementation, including functions and derivatives evaluation, warm-starting strategies, and asynchronous parallelism. We discuss the results of the independent benchmark of our approach by ARPA-E’s GOC team in Challenge 1, where it was found to consistently produce high-quality solutions across a wide range of network sizes and difficulty, and conclude by outlining future extensions of the approach.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2012

An Iterated Global Mascon Solution with Focus on Land Ice Mass Evolution

Land ice mass evolution is determined from a new GRACE global mascon solution. The solution is estimated directly from the reduction of the inter-satellite K-band range rate observations taking into account the full noise covariance, and formally iterating the solution. The new solution increases signal recovery while reducing the GRACE KBRR observation residuals. The mascons are estimated with 10-day and 1-arc-degree equal area sampling, applying anisotropic constraints for enhanced temporal and spatial resolution of the recovered land ice signal. The details of the solution are presented including error and resolution analysis. An Ensemble Empirical Mode Decomposition (EEMD) adaptive filter is applied to the mascon solution time series to compute timing of balance seasons and annual mass balances. The details and causes of the spatial and temporal variability of the land ice regions studied are discussed.

Luthcke, S. B.↗
NASA NTRSDate not supplied

Implementation of an Unsteady PSP System in the NASA Transonic Dynamics Tunnel

An unsteady pressure-sensitive paint (uPSP) system has been developed to provide time-resolved pressure measurements in the NASA Langley Transonic Dynamics Tunnel (TDT). Obtaining these measurements necessitated the development of environmental enclosures to protect the high-speed camera and ultraviolet lights required for uPSP from the harsh environment present during tunnel operation. Since the facility main drive was non-functioning during the testing window, performance of the uPSP system was demonstrated using an impinging jet with a passive oscillator attachment to provide unsteady flow with a known frequency independent of amplitude. Measurements were obtained for tunnel pressures ranging from 565 to 2116 psf, and model angles of attack between -4 degrees and 4 degrees. Results indicate that the system is capable of measuring surface pressure differentials on the order of 0.01 psi at full scale with a camera frame rate of at least 10 kHz. Spectral analysis shows that the fundamental frequency of the oscillating jet is captured by the uPSP system, as are the second and third harmonics. Dynamic mode decomposition highlights the dominant coherent spatial structures of the surface pressure, along with the associated frequency and growth rate of each mode, allowing for a de-noised reconstruction of the uPSP measurements. The experimental campaign outlined within this report also confirmed compatibility of the uPSP system with the TDT facility data acquisition system, and verified the successful integration with existing processing capabilities within the NASA advanced supercomputing environment.

unsteady pressure-sensitive paint↗