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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 OSTI2024

Optical properties enhancement of thermal energy media for consistently high solar absorptivity

This study aimed to evaluate the optical properties of particles intended for use as thermal energy absorbers in generation 3 concentrated solar power systems. Their characterization involved UV–Vis NIR measurements with an integrating sphere for solar absorptivity, while a reflectometer was employed to measure thermal emittance. By combining absorptivity and emittance data, the solar absorption efficiency was calculated. Laser flash analysis, differential scanning calorimetry, and thermogravimetric analysis were utilized to determine thermal conductivity and specific heat. The solar absorptivity of the particles was initially measured at 0.90. After exposure to air at 1000 °C, it decreased to 0.73. However, following a reduction process, the particle recovered absorptivity of 0.90. The thermal aging and recovery were repeated multiple times, consistently achieving an absorptivity of 0.90. The thermal conductivity of the particles ranged from 0.50 to 0.88 W/(m-K). Solar absorptivity was found to be influenced by the types of iron oxide present in the particles. Particles with a predominance of hematite exhibited decreased solar absorptivity, while those containing magnetite, wüstite, and iron showed increased absorptivity. The estimated cost of the developed particles was more than ten times lower than that of current products. Given that component costs significantly impact the levelized cost of electricity (LCOE), this price reduction corresponded to an 8 % decrease in LCOE compared to other products. The low-cost thermal energy media show great promise for contributing to a reduced LCOE in the third generation of concentrating solar power systems.

14 SOLAR ENERGY↗
NASA NTRS2000

AI in Space: The Era of Autonomous Space Systems

The development of autonomy capabilities is the key to three vastly important strategic technical challenges facing NASA: the reduction of mission costs, the continuing return of quality science products through limited communications bandwidth, and the launching of a new era of solar system exploration characterized by sustained presence and in-depth scientific studies, including the search for life. Autonomy will benefit future NASA missions by migrating routine, traditionally ground-based functions to the spacecraft, by directly supporting the decoupling of spacecraft from the ground through new operations concepts, by enabling direct links between scientists and the space platforms carrying their instruments of investigation, and by the closing, of planning and control loops onboard, enabling space platforms to directly address uncertainty in the real-time mission context. The talk will survey ongoing, autonomy technology development projects at NASA, many of which have been or will soon be the subject of flight technology experiments, or are already targeted for mission use. The talk will also survey the exciting suite of future NASA space exploration missions, and make the case for the central role of autonomy in achieving the goals of these bold, unprecedented missions: cooperating rovers on the surface of Mars, the search for Earth-like planets around nearby stars, asteroid and comet landers, aerobots in planetary atmospheres, and a series of missions to intriguing Europa, perhaps culminating in a submersible to investigate its putative ocean. Finally, the talk will conclude with some farther-reaching speculations on how to create properties such as long-term survivability and evolvability in future space systems, such that they will be well equipped to extend humanity exploratory presence into the interstellar realm.

Doyle, Richard J.↗
DOE OSTI2016

“Thought experiments” as dry-runs for “tough experiments”: novel approaches to the hydration behavior of oxyanions

We explore the deconvolution of correlations for the interpretation of the microstructural behavior of aqueous electrolytes according to the neutron diffraction with isotopic substitution (NDIS) approach toward the experimental determination of ion coordination numbers of systems involving oxyanions, in particular, sulfate anions. We discuss the alluded interplay in the title of this presentation, emphasized the expectations, and highlight the significance of tackling the challenging NDIS experiments. Specifically, we focus on the potential occurrence of N$2+\atop{i}$ ...SO$2-\atop{4}$ pair formation, identify its signature, suggest novel ways either for the direct probe of the contact ion pair (CIP) strength and the subsequent correction of its effects on the measured coordination numbers, or for the determination of anion coordination numbers free of CIP contributions through the implementation of null-cation environments. For that purpose we perform simulations of NiSO 4 aqueous solutions at ambient conditions to generate the distribution functions required in the analysis (a) to identify the individual partial contributions to the total neutron-weighted distribution function, (b) to isolate and assess the contribution of N$2+\atop{i}$ ...SO$2-\atop{4}$ pair formation, (c) to test the accuracy of the neutron diffraction with isotope substitution based coordination calculations and X-ray diffraction based assumptions, and (d) to describe the water coordination around both the sulfur and oxygen sites of the sulfate anion. In conclusion, we finally discuss the strength of this interplay on the basis of the inherent molecular simulation ability to provide all pair correlation functions that fully characterize the system microstructure and allows us to “reconstruct” the eventual NDIS output, i.e., to take an atomistic “peek” (e.g., see Figure 1) at the local environment around the isotopically-labeled species before any experiment is ever attempted, and ultimately, to test the accuracy of the “measured” NDIS-based coordination numbers against the actual values by the “direct” counting.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Significance of Dynamic and Transient Analysis in the Design and Operation of Hybrid Energy Systems

Energy systems were historically designed and operated with a specific energy conversion objective, while managing loads and resources. In the recent years, the increased utilization of non-dispatchable renewable sources such as wind and solar has played a role in power quality and the reliability of power systems. In order to mitigate the risk associated with the non-dispatchable resources an integrated approach, such as Hybrid Energy Systems (HES), has to be taken, integrating the loads and resource management between the traditional thermal power plants and the non-dispatchable resources. As our electric energy becomes more diverse in its generation resources, the HES with its operational control system, its real-time view and its dynamic decisions making will become an essential part of the integrated energy systems and improve the overall grid reliability. The operational constraints of the energy sources on both the thermal power plants and the non-dispatchable resources in HES, plays a vital role in the planning and design stage. It is an established fact that the choice of energy source depends on the available natural resources and possible infrastructure. A critical component of decision-making depends on the complementary nature and controllability of the energy sources to supply the load demands with high reliability. Controllability of complex HES to achieve desired performance and flexibility is implemented via coordinated control systems while simultaneously generating electricity and other useful products such as useful heat or hydrogen. These systems are based on instrumentation, signal processing, control theory, and engineering system design. The entire HES along with the control systems are characterized by widely varying time constants. Hence, for a well-coordinated control and operation, we propose physics based modeling of the subsystems to assist in a dynamic and transient analysis. Dynamic and transient analysis in real and non-real time domain of the potential sources is capable of providing satisfactory results at the feasibility analysis stage. A simplified HES consisting of complementary energy sources is used to demonstrate the proposed approach. Suitable real time simulations to perform dynamic and transient analysis will be performed to verify results from the non-real time analysis. The role of such analyses, especially the real time dynamic and transient analysis for manual controls is elaborated. It is also discussed that faster than real time simulation will pave the future for controller rooms and hence manual control procedures. Multiple tools such as Real Time Simulator, Matlab®, Simulink®, PSCAD®, MOOSE, etc. are expected to be used for the HES analysis.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2017

Characterization of a spectroscopic detector for application in x-ray computed tomography

Recent advances in cadmium telluride (CdTe) energy-discriminating pixelated detectors have enabled the possibility of Multi-Spectral X-ray Computed Tomography (MSXCT) to incorporate spectroscopic information into CT. MultiX ME 100 V2 is a CdTe-based spectroscopic x-ray detector array capable of recording energies from 20 to 160 keV in 1.1 keV energy bin increments. Hardware and software have been designed to perform radiographic and computed tomography tasks with this spectroscopic detector. Energy calibration is examined using the end-point energy of a bremsstrahlung spectrum and radioisotope spectral lines. When measuring the spectrum from Am-241 across 500 detector elements, the standard deviation of the peak-location and FWHM measurements are ±0.4 and ±0.6 keV, respectively. As these values are within the energy bin size (1.1 keV), detector elements are consistent with each other. The count rate is characterized, using a nonparalyzable model with a dead time of 64 ± 5 ns. This is consistent with the manufacturer’s quoted per detector-element linear-deviation at 2 Mpps (million photons per sec) of 8.9% (typical) and 12% (max). When comparing measured and simulated spectra, a low-energy tail is visible in the measured data due to the spectral response of the detector. If no valid photon detections are expected in the low-energy tail, then a background subtraction may be applied to allow for a possible first-order correction. If photons are expected in the low-energy tail, a detailed model must be implemented. A radiograph of an aluminum step wedge with a maximum height of about 20 mm shows an underestimation of attenuation by about 10% at 60 keV. This error is due to partial energy deposition from higher-energy (> 60 keV) photons into a lower-energy (~60 keV) bin, reducing the apparent attenuation. A radiograph of a PTFE cylinder taken using a bremsstrahlung spectrum from an x-ray voltage of 100 kV filtered by 1.3 mm Cu is reconstructed using Abel inversion. As no counts are expected in the low energy tail, a first order background correction is applied to the spectrum. The measured linear attenuation coefficient (LAC) is within 10% of the expected value in the 60 to 100 keV range. Below 60 keV, low counts in the corrected spectrum and partial energy deposition from incident photons of energy greater than 60 keV into energy bins below 60 keV impact the LAC measurements. This report ends with a demonstration of the tomographic capability of the system. The quantitative understanding of the detector developed in this report will enable further study in evaluating the system for characterization of an object’s chemical make-up for industrial and security purposes.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Development of Ambient Mass Spectrometry Rapid Analysis Methods for Trace Inorganics

Ambient mass spectrometry is being investigated as a new method for rapidly characterizing trace inorganic species, including nuclear materials. SRNL is currently developing electrospray ionization (ESI) and paper spray ionization (PSI) methods for mass spectrometry for the detection of trace inorganic compounds JEOL AccuTOF™-DART ® LP 4G mass spectrometer. Sample analysis generates a complex three-dimensional data set with 10 2 -10 3 individual mass spectra spread temporally. To improve the quality and ease of data extraction from this amount of information, a simple data analysis pipeline written in R/R Studio has been improved and expanded upon. Specifically, the software now has header inputs to set base input/output filenames, isotopes of interest, and a list of concentrations analyzed on the instrument. Using list-based structures to enable batch processing of many concentrations at once, it then loads each file, extracts the relevant intensities for masses of interest from each spectrum, and iterates through each concentration to generate graphs of internal standard & analyte correlations, measured isotope ratios, and total ion chromatograms. It then filters the data to remove points at background levels or at the detector saturation limit. Using this filtered data, the pipeline re-creates the graphs to reveal high-quality information from a low-quality raw dataset. All graphs of the R software then output to PowerPoint format. Additionally, faster 3D visualization functionality was added to the pipeline for viewing the entire data file produced by the instrument as an intensity map. With these data analysis tools ready, samples of strontium nitrate/yttrium nitrate as an analyte/internal standard combination were measured on the AccuTOF. From the filtered data, calibration curves were prepared and limits of detection (LOD) of 1 ppb for ESI-MS and 20 ppb for PSI-MS were obtained. The quality available from the calibration curves and the low limits of detection demonstrate the value of the instrument/analysis pipeline system in characterizing trace inorganics.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Operando FTIR Studies of Electrolyte Solution Structures and Dynamics at Electrode-Electrolyte Interfaces

The well-stabilized electrode-electrolyte interface (EEI) is critical to battery performance and safety, thus understanding the electrolyte solution structures (e.g., ion solvation and ionic association) and dynamics within EEI is an important area of study. Unfortunately, due to the sensitive nature of the electrodes, ex-situ characterization methods are limited and challenging to interpret as chemical and structural changes occur upon deconstructing the cell. In this work, we present operando characterization of near-surface electrolyte solution structures and dynamics by ATR-FTIR spectroscopy during battery cycling. We studied two selected model electrodes, a lithium nickel manganese cobalt oxide (NMC) or a planar silicon (Si), in a standard Gen2 electrolyte of 1.2 M LiPF6 in ethylene carbonate (EC):ethyl methyl carbonate (EMC) (3:7 wt%). In the former case, the composite cathode on aluminum foil is placed face-down on an ATR crystal. A ring of lithium metal serves as the counter/reference electrode and no separator is required. In the latter case, a lightly doped p-type silicon wafer is phosphorous-doped at the surface to increase the conductivity of the sample without compromising infrared transparency. The ATR crystal is then pressed on the back of the silicon with a minimal air gap to ensure sufficient optical contact between the two materials. The front of wafer is then placed in a modified coin-type cell geometry with a minimal electrolyte, a separator, and a lithium metal counter/reference electrode. In both experiments, we analyze the electrolyte solution structures within the EEI and find similar patterns as a function of potential. Firstly, we find that EMC decomposes faster than EC -suggesting that EMC plays a greater role in the electrochemical reactions on the electrode surface (e.g., formation of a protective layer to prevent further electrolyte decomposition). Secondly, we monitor the increase/decrease of the vibrational absorption peaks attributed to carbonates coordinated with Li+ ions relative to the decrease/increase of their uncoordinated counterparts, as expected when changing the local concentration of Li+ ions near the electrode surface during deintercalation/intercalation into the electrode. Finally, we observe that the features assigned to the Li+-PF6 -/-solvent molecules contact ion pair relative to the uncoordinated PF6 - anion. These observations give important information regarding the electrolyte solution structures and dynamics near the electrode surfaces. We look forward to applying these techniques to additional lithiumion battery systems with different cathode or anode materials and beyond lithium-ion systems to characterize surface chemistry/evolution (on-going research) and solution structures/dynamics (in particular, (de)solvation behaviors) within the EEI, which can be a bottleneck to efficient ion transfer from the electrolyte to the electrode.

14 SOLAR ENERGY↗
NASA NTRS1989

Broad band X-ray telescope (BBXRT) displacement monitor system (DMS) testing and calibration

NASA's shuttle-borne Broad Band X-Ray Telescope (BBXRT) consists of two glancing incidence imaging mirror assemblies mounted on an optical bench which is bolted to the primary structure of the instrument. The X-ray detectors are located in the focal plane of the mirror assemblies approximately 3.5 meters away. It is desirable to monitor the relative alignment of these components throughout ground testing, and to determine the magnitude of launch or thermally induced perturbations to the alignment during flight. The Displacement Monitor System (DMS) was designed to accomplish this task. This paper describes the design of the DMS, the development and optimization of the DMS calibration facility, and the characterization of the system. The characterization of the DMS includes environmental qualification, displacement vs output calibration over the operating temperature range, a detailed error analysis, and the generation of a calibration polynomial which utilizes DMS detector output and thermocouple data to optimize system performance. The DMS accuracy exceeded the requirements of a 15 arc second limit of error, and passed the stringent environmental tests. As such, the DMS is one of the first flight qualified displacement monitor systems with this accuracy to be flown in space.

Hagopian, John G.↗
DOE OSTI2023

Assessment of the Biological Impact of Engineered Nanomaterials Using Mass Spectrometry-based MultiOmics Approaches

The widespread use of engineered nanomaterials (ENMs) has expanded further than our understanding of their toxicity, prompting research into the biological responses against exposure to such materials. Genomics and transcriptomics have been extensively used to evaluate the biological effects of exposure to various ENMs. By determining gene activities, these studies provided valuable information to infer how cells respond to the toxicological effects of many ENMs. The application of mass spectrometry (MS)-based omics tools, such as proteomics, lipidomics, and metabolomics, offer post-genomic perspectives of what cellular processes are altered. Individually, these technologies have revealed the proteome, lipidome, and metabolome landscape upon exposure to ENMs. Together, these approaches demonstrate the ENM-induced adaptation in a broad range of cellular processes at multiple levels and the complexity of ENM-cell interactions. As a result, integrating multiple layers of MS-based omics data is trending to complement genomics data. In this review chapter, we discuss the applications of these tools for a comprehensive systems-level characterization of the biological responses induced by engineered nanomaterials.

Engineered nanomaterials, Proteomics, Metabolomics↗
DOE OSTI2022

Filament Formation in TaO x Thin Films for Memristor Device Application: Modeling Electron Energy Loss Spectra and Electron Transport

Abstract Although understanding filament formation in oxide‐based memristive devices by theory has emerged, there are still fundamental unanswered questions. Importantly, for practical application of thin films the material in its amorphous state is to be considered, but mostly lacking so far, and details on sub‐stoichiometry are also scarce. To gain insight into the optical and electronic properties of sub‐stoichiometric amorphous tantalum oxide (TaO x ), the electron energy loss spectrum (EELS) of model systems is characterized theoretically and electron transport characteristics are analyzed in detail. Calculated blue‐shifts by increasing sub‐stoichiometry explained the measurements, potentially suggesting estimation of oxygen vacancy concentrations through EEL spectra. Electron transport results based on TaO x material models validated by EELS measurements show that oxygen vacancy filamentary paths are initiated at low bias upon increasing sub‐stoichiometry yet noting an interplay with the local amorphous structure. Contact resistances at interfaces of the TaO x switching layer and a tantalum scavenging layer or titanium nitride electrode are quantified, indicating the possibility for either oxygen vacancy‐ or metal cluster‐based conduction mechanisms at the interface. The computational work, combined with experimental characterization for validation, provides a basis for investigating effects of sub‐stoichiometry on filament formation in TaO x thin film memristive devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Gastight rotating cylinder electrode: Toward decoupling mass transport and intrinsic kinetics in electrocatalysis

Abstract Decoupling and understanding the various mass, charge, and heat transport phenomena involved in the electrocatalytic transformation of small molecules (i.e., CO 2 , CO, H 2 , N 2 , NH 3 , O 2 , and CH 4 ) is challenging but it can be readily achieved using dimensionless quantities (i.e., Reynolds, Sherwood, Schmidt, Damköhler, Nusselt, Prandtl, and Peclet Numbers) to simplify the characterization of systems with multiple interacting physical phenomena. Herein we report the development of a gastight rotating cylinder electrode cell with well‐defined mass transport characteristics that can be applied to experimentally decouple mass transfer effects from intrinsic kinetics in electrocatalytic systems. The gastight rotating cylinder electrode cell enables the dimensionless analysis of electrocatalytic systems and should enable the rigorous research and development of electrocatalytic technologies.

Jang, Joonbaek↗
DOE OSTI2020

Nickel(II) Bisporphyrin‐Fused Pentacenes Exhibiting Abnormal High Stability

Abstract A series of largely π‐extended multichromophoric molecules including cross‐conjugated, half cross‐conjugated, conjugation‐interrupted and linearly conjugated systems were synthesized and characterized. These multichromophoric molecular systems revealed interesting structural‐property relationships. Bisporphyrin‐fused pentacenes Pen‐1 b and Pen‐2 a showed rich redox chemistry with 7 and 8 observable redox states, respectively. The linearly‐conjugated bisporphyrin‐fused pentacenes ( Pen‐1 b and Pen‐2 a ) possess much narrower HOMO–LUMO gaps (1.65 and 1.42 eV redox, respectively) and higher HOMO energy levels than those of their pentacene analogues (2.23 and 2.01 eV redox, respectively), similar to those of much less stable hexacenes and heptacenes. An estimated half‐life of >945 h was obtained for bisporphyrin‐fused pentacene Pen‐2 a , which is much longer than that of its pentacene analogue ( BPE‐P , half‐life, 33 h).

Hu, Yi↗
DOE OSTI2021

An approach to characterizing spatial aspects of image system blur

Quantitative X-ray radiographic imaging systems that utilize a charged couple device (CCD) camera connected to a thick, monolithic scintillator can exhibit blur that varies spatially across the field of view, especially for thick scintillators used in pulse-power radiography of dynamically compressed objects. Here, a three-point approach to estimating and accounting for this effect is demonstrated by (a) using a local estimation technique to measure the effect of blurring a calibration object at key locations across the field of view, (b) combining each of the local estimates into a spatially varying blurring function via partitions of unity interpolation, and (c) resolving the effects of that blur on the image by solving an ill-posed inverse problem using a spatially varying regularization term. The technique is demonstrated on synthetic examples and actual radiographs collected at the Naval Research Laboratory’s (NRL)Mercury pulsed power facility.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Application of Anomalous Diffraction Methods to the Study of DNA and DNA-Complexes

Anomalous scattering is commonly used to solve X-ray structures. As discussed here, anomalous scattering is also useful for characterizing complex systems with mixed and partial occupancies, where true electron density is represented by unresolvable ensemble averages. The solvent environment surrounding nucleic acids is an example of such a system, as are some DNA-ligand systems. The atomic number and wavelength dependencies of anomalous scattering allow one to filter out the electron densities of C, N, and O, and to cleanly visualize the electron densities of heavier atoms. Therefore, anomalous scattering can make beacons of selected atoms. In addition, anomalous scattering provides a model-independent method for determining atomic identities. Here, we describe applications of anomalous scattering to the structure determination of DNA-platinum complexes and in cation associations of free DNA, of DNA-anthracycline complexes, of chemically modified DNA, and of DNA-protein complexes. The utility of Rb{sup +} and Tl{sup +} as K{sup +} substitutes is supported by similarities in Rb{sup +} and Tl{sup +} association with DNA.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Deployment and performance of a Low-Energy-Threshold Skipper-CCD inside a nuclear reactor

Charge Coupled Devices (CCD) are being used for reactor neutrino experiments and have already demonstrated their potential in constraining new physics models. The prospect of a Skipper-CCD experiment looking for standard and beyond standard model (BSM) physics in a nuclear reactor has been evaluated for different benchmark scenarios. Here, we report the first installation of a 2-g Skipper-CCD inside the containment building of a 2 GW th nuclear power plant and analyze its performance throughout its first 18 months of operation. The sensor was successfully deployed at Atucha II, in Argentina, 12 meters away from the center of the reactor core. We discuss the challenges involved in the commissioning of the detector and present data acquired during reactor ON and reactor OFF periods, with the sensor functioning with a sub-electron readout noise of 0.17 e - . Based on an exposure of 56.8 g day reactor ON and two reactor OFF data sets with a total exposure of 118.1 g day we characterize the system and evaluate the sensitivity to CEvNS. We achieved a background rate of 33 kdru and a low threshold of 45 eV ee . The ongoing efforts to improve sensitivities to CEvNS and BSM interaction are also discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗