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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

A Perspective on Solar-Driven Electrochemical Routes for Sustainable Methanol Production

The transition towards sustainable and renewable energy sources is imperative in mitigating the environmental impacts of escalating global energy consumption. Methanol, with its versatile applications and potential as a clean energy carrier, a precursor chemical, and a valuable commodity, emerges as a promising solution within the realm of renewable energy technologies. This work explores the integration of electrochemistry with solar power to drive efficient methanol production processes, focusing on electrochemical reduction (ECR) of CO 2 and methane oxidation reaction (MOR) as pathways for methanol synthesis. Through detailed analysis and calculations, we evaluate the thermodynamic limits and realistic solar-to-fuel (STF) efficiencies of ECR and MOR. Our investigation encompasses the characterization of multijunction light absorbers, determination of thermoneutral potentials, and assessment of STF efficiencies under varying conditions. We identify the challenges and opportunities inherent in both ECR and MOR pathways, shedding light on catalyst stability, reaction kinetics, and system optimization, thereby providing insights into the prospects and challenges of solar-driven methanol synthesis, offering a pathway towards a cleaner and more sustainable energy future.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS1981

V/STOL propulsion control technology

Results of a NASA sponsored study of V/STOL Propulsion Control Analysis are presented. The study involved propulsion control requirements, design concepts and procedures, and control designs for supersonic V/STOL. A variable cycle engine with a remote augmented lift system was used as a basis for establishing typical operating requirements and control concepts, and a nonlinear engine model was developed for control development as a precursor to a real-time simulation capability. A simplified aircraft model was also used to investigate transition requirements, and a long-range technology plan was developed to define subsequent program requirements for achieving a real-time piloted simulation capability.

Brown, H.↗
NASA NTRS1994

Raman structural studies of the nickel electrode

The objectives of this investigation have been to define the structures of charged active mass, discharged active mass, and related precursor materials (alpha-phases), with the purpose of better understanding the chemical and electrochemical reactions, including failure mechanisms and cobalt incorporation, so that the nickel electrode may be improved. Although our primary tool has been Raman spectroscopy, the structural conclusions drawn from the Raman data have been supported and augmented by three other analysis methods: infrared spectroscopy, powder X-ray Diffraction (XRD), and x-ray absorption spectroscopy (in particular EXAFS, Extended X-ray Absorption Fine Structure spectroscopy).

Cornilsen, Bahne C.↗
NASA NTRS1999

The Mars 2001 Athena Precursor Experiment (APEX)

The Athena Precursor Experiment (APEX) is a suite of scientific instruments for the Mars Surveyor Program 2001 (MSP'01) lander. The major elements of the APEX pay load are: (1) Pancam/Mini-TES, a combined stereo color imager and mid-infrared point spectrometer. (2) An Alpha-Proton-X-Ray Spectrometer (APXS) for in-situ elemental analysis. (3) A Mossbauer Spectrometer for in-situ determination of the mineralogy of Fe-bearing rocks and soils. (4) A Magnet Array that can separate magnetic soil particles from non-magnetic ones.

Squyres, S. W.↗
DOE OSTI2024

DFT Analysis of the Binding of Rare Earth Nitrates at Internal and External Surfaces of MCM-22

MCM-22-type zeolites constitute a well-characterized tunable class of aluminosilicates suitable for elucidating the fundamental aspects of the binding of rare earth elements (REEs) in layered materials. Starting from the pure silica version ITQ-1 with a unit cell of Si 72 O 144 , a model for periodic bulk crystalline MCM-22 with a finite Al concentration is provided by replacing a Si atom with an Al atom in the unit cell at suitable tetrahedral sites near an internal pore surface. Then, a H atom is added to an O atom bridging Si and Al atoms to create a Brønsted acid site (BAS). There are no internal silanol groups in this bulk model. To generate a model for an external surface, we adopt the fully hydroxylated surface structure of a layer within the ITQ-1 precursor with two silanols per lateral unit cell. A BAS on the external surface can be generated by replacing a near-surface Si atom with an Al atom and adding a H atom, as above. The strength of binding at a BAS of REE, X, taken to be present in the solution phase as nitrates, is determined from the energy change in the reaction X(NO 3 ) 3 + ≡Si–{OH}–Al≡ → ≡Si–{OX(NO 3 ) 2 }–Al≡+ HNO 3 . The strength of binding at the silanols is determined similarly. Binding energies are determined from two approaches. The first performs periodic plane-wave density functional theory (DFT) total energy analysis for an entire unit cell of MCM-22. The second utilizes cluster models capturing the local environment of REE binding sites and performs DFT analysis with localized basis sets. The two approaches yield consistent results for Nd, revealing similarly strong binding at either an external or internal BAS, but much weaker binding at a silanol site. This is consistent with the picture deduced from recent experiments. Here, we also comment on binding at Al-bridged siloxane sites, which have been suggested as alternative binding sites to BAS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI1996

Nuclear Safety [Vol. 37, No. 1, January-March 1996]

Nuclear Safety is a journal that covers significant issues in the field of nuclear safety. Its primary scope is safety in the design, construction, operation, and decommissioning of nuclear power reactors worldwide and the research and analysis activities that promote this goal, but it also encompasses the safety aspects of the entire nuclear fuel cycle, including fuel fabrication, spent-fuel processing and handling, and nuclear waste disposal, the handling of fissionable materials and radioisotopes, and the environmental effects of all these activities. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 1 A Decision Support System for Maintenance Management of a Boiling-Water Reactor Power Plant, J. H. Shen, A. Ray, and S. Levine; ACCIDENT ANALYSIS: 12 On Prediction of the Ignition Potential of Uranium Metal and Hydride, M. Epstein, W. Luangdilok, M. G. Plys, and H. K. Fauske; 26 An Overview of the Primary Parameters and Methods for Determining Condensation Heat Transfer to Containment Structures, J. Green and K. Almenas; DESIGN FEATURES: 49 Modem Tornado Design of Nuclear and Other Potentially Hazardous Facilities, J. D. Stevenson and Y. Zaho; U.S. NUCLEAR REGULATORY COMMISSION INFORMATION AND ANALYSES: 73 1994 Accident Sequence Precursor Program Results, R. J. Belles, J. W. Cletcher, D. A. Copinger, B. W. Dolan, J. W. Minarick, and P. D. O'Reilly; ANNOUNCEMENTS: 93 American Institute of Chemical Engineers (AlChE) Spring 1997 National Meeting; 94 European Safety and Reliability Association International Conference on Safety and Reliability ESREL ’97; 95 Criticality Safety Challenges in the Next Decade; 96 21st International Symposium on the Scientific Basis for Nuclear Waste Management; 84 The Authors; 88 Letter to the Editor; 90 Indexes to Nuclear Safety, Volume 36.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Acoustic phonon dispersion and diffuse scattering across the valence transition of ( P r 0.85 Y 0.15 ) 0.7 C a 0.3 Co O 3 - δ

A number of praseodymium-containing cobalt perovskites undergo temperature-dependent metal-insulator transitions that involve a transfer of electrons between cobalt and praseodymium cations. We have used high- resolution inelastic x-ray scattering to directly measure the changes in the acoustic phonon dispersion through this transition in one such single crystal, (Pr 0.85 Y 0.15 )(0.)7Ca 0.3 CoO 3-$\delta$ , in an effort to understand the role of the lattice in the transition. Transverse and acoustic modes were measured in the pseudocubic (200), (220), and (222) zones both above and below the transition temperature. The resultant dispersion curves reveal that the transition is associated with a significant hardening of the pseudocubic C 11 elastic constant, whereas C 12 and C 44 do not significantly change. Here, analysis of the temperature-dependent damping of the longitudinal acoustic mode in the (200) zone reveals a peak in the damping at temperatures just above the transition temperature. Significant elastic diffuse scattering is also observed above the transition temperature, likely resulting from clusters in which the electron transfer is beginning to occur as a precursor to the phase transition. The presence of these clusters likely limits the phonon lifetimes, thus leading to the observed damping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

PGM-Free ORR Catalysts Designed by Templating PANI-Type Polymers Containing Functional Groups with High Affinity to Iron

In this work, a coordination-chemistry approach was used to increase the content of nitrogen-coordinated iron moieties (Fe-N x ) in platinum group metal-free (PGM-free) catalysts for oxygen reduction reaction (ORR). The catalysts were derived from a series of polyaniline (PANI)-type precursors with N-containing functional side chains having high affinity to iron. The PGM-free ORR catalysts synthesized using such polymeric templates were characterized by scanning electron microscopy, X-ray diffractometry, and tested in an electrochemical cell and H 2 -air fuel cell for ORR activity. X-ray photoelectron spectroscopy (XPS) analysis showed that, in spite of similar nitrogen contents, catalysts obtained using PANI-type polymers containing side chains with high affinity to iron had higher Fe content than PANI-derived catalyst. These PGM-free catalysts showed improved ORR activity in an electrochemical cell and in H 2 -air fuel cell testing, compared to the PANI-derived catalyst. A correlation between the content of Fe-N x moieties and the fuel cell performance was observed in these PGM-free ORR catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Improved Subseasonal Forecasting of Extreme Polar Vortices Using Machine Learning

Our research was focused on forecasting the position and shape of the winter stratospheric polar vortex at a subseasonal timescale of 15 days in advance. To achieve this, we employed both statistical and neural network machine learning techniques. The analysis was performed on 42 winter seasons of reanalysis data provided by NASA giving us a total of 6,342 days of data. The state of the polar vortex for determined by using geometric moments to calculate the centroid latitude and the aspect ratio of an ellipse fit onto the vortex. Timeseries for thirty additional precursors were calculated to help improve the predictive capabilities of the algorithm. Feature importance of these precursors was performed using random forest to measure the predictive importance and the ideal number of precursors. Then, using the precursors identified as important, various statistical methods were tested for predictive accuracy with random forest and nearest neighbor performing the best. An echo state network, a type of recurrent neural network that features sparsely connected hidden layer and a reduced number of trainable parameters that allows for rapid training and testing, was also implemented for the forecasting problem. Hyperparameter tuning was performed for each methods using a subset of the training data. The algorithms were trained and tuned on the first 41 years of data, then tested for accuracy on the final year. In general, the centroid latitude of the polar vortex proved easier to predict than the aspect ratio across all algorithms. Random forest outperformed other statistical forecasting algorithms overall but struggled to predict extreme values. Forecasting from echo state network suggested a strong predictive capability past 15 days, but further work is required to fully realize the potential of recurrent neural network approaches.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2018

Breakthrough Propulsion Study: Assessing Interstellar Flight Challenges and Prospects

Progress toward developing an evaluation process for interstellar propulsion and power options is described. The goal is to contrast the challenges, mission choices, and emerging prospects for propulsion and power, to identify which prospects might be more advantageous and under what circumstances, and to identify which technology details might have greater impacts. Unlike prior studies, the infrastructure expenses and prospects for breakthrough advances are included. This first year's focus is on determining the key questions to enable the analysis. Accordingly, a work breakdown structure to organize the information and associated list of variables is offered. A flow diagram of the basic analysis is presented, as well as more detailed methods to convert the performance measures of disparate propulsion methods into common measures of energy, mass, time, and power. Other methods for equitable comparisons include evaluating the prospects under the same assumptions of payload, mission trajectory, and available energy. Missions are divided into three eras of readiness (precursors, era of infrastructure, and era of breakthroughs) as a first step before proceeding to include comparisons of technology advancement rates. Final evaluation "figures of merit" are offered. Preliminary lists of mission architectures and propulsion prospects are provided.

Marc G. Millis↗
NASA NTRS2019

Analyses of Aliphatic Aldehydes and Ketones in Carbonaceous Chondrites

Aliphatic aldehydes and ketones are essential building blocks for the synthesis of more complex organic compounds. Despite their potentially key role as precursors of astrobiologically important molecules, such as amino acids and carboxylic acids, this family of compounds has scarcely been evaluated in carbonaceous chondrites. The paucity of such analyses likely derives from the low concentration of aldehydes and ketones in the meteorites and from the currently used chromatographic methodologies that have not been optimized for meteorite analysis. In this work, we report the development of a novel analytical method to quantify the molecular distribution and compound-specific isotopic analysis of 29 aliphatic aldehydes and ketones. Using this method, we have investigated the molecular distribution and C-13-isotopic composition of aldehydes and ketones in 10 carbonaceous chondrites from the CI, CM, CR, and CV groups. The total concentration of carbonyl compounds ranged from 130 to 1000 nmol g(exp -1) of meteorite with formaldehyde, acetaldehyde, and acetone being the most abundant species in all investigated samples. The C-13-isotopic values ranged from -67 to +64‰ and we did not observe clear relationships between C-13-content and molecular weight. Accurately measuring the relative abundances, determining the molecular distribution and isotopic composition of chondritic organic compounds is central in assessing both their formation chemistry and synthetic relationships.

Organic carbon↗
NASA NTRS2019

Organometallic Compounds as Carriers of Extraterrestrial Cyanide in Primitive Meteorites

Extraterrestrial delivery of cyanide may have been crucial for the origin of life on Earth since cyanide is involved in the abiotic synthesis of numerous organic compounds found in extant life; however, little is known about the abundance and species of cyanide present in meteorites. Here, we report cyanide abundance in a set of CM chondrites ranging from 50 ± 1 to 2472 ± 38 nmol·g1, which relates to the degree of aqueous alteration of the meteorite and indicates that parent body processing inuenced cyanide abundance. Analysis of the Lewis Cliff 85311 meteorite shows that its releasable cyanide is primarily in the form of [FeII (CN)5(CO)]3 and [FeII(CN)4(CO)2]2-. Meteoritic delivery of iron cyanocarbonyl complexes to early Earth likely provided an important point source of free cyanide. Iron cyanocarbonyl complexes may have served as precursors to the unusual FeII(CN)(CO) moieties that form the catalytic centers of hydrogenases, which are thought to be among the earliest enzymes.

cyanide↗
DOE OSTI1996

Nuclear Safety [Vol. 37, No. 1, January-March 1996]

Nuclear Safety is a journal that covers significant issues in the field of nuclear safety. Its primary scope is safety in the design, construction, operation, and decommissioning of nuclear power reactors worldwide and the research and analysis activities that promote this goal, but it also encompasses the safety aspects of the entire nuclear fuel cycle, including fuel fabrication, spent-fuel processing and handling, and nuclear waste disposal, the handling of fissionable materials and radioisotopes, and the environmental effects of all these activities. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 1 A Decision Support System for Maintenance Management of a Boiling-Water Reactor Power Plant, J. H. Shen, A. Ray, and S. Levine; ACCIDENT ANALYSIS: 12 On Prediction of the Ignition Potential of Uranium Metal and Hydride, M. Epstein, W. Luangdilok, M. G. Plys, and H. K. Fauske; 26 An Overview of the Primary Parameters and Methods for Determining Condensation Heat Transfer to Containment Structures, J. Green and K. Almenas; DESIGN FEATURES: 49 Modem Tornado Design of Nuclear and Other Potentially Hazardous Facilities, J. D. Stevenson and Y. Zaho; U.S. NUCLEAR REGULATORY COMMISSION INFORMATION AND ANALYSES: 73 1994 Accident Sequence Precursor Program Results, R. J. Belles, J. W. Cletcher, D. A. Coplnger, B. W. Dolan, J. W. Minarick, and P. D. O'Reilly; ANNOUNCEMENTS: 93 American Institute of Chemical Engineers (AlChE) Spring 1997 National Meeting; 94 European Safety and Reliability Association International Conference on Safety and Reliability ESREL ’97; 95 Criticality Safety Challenges in the Next Decade; 96 21st International Symposium on the Scientific Basis for Nuclear Waste Management; 84 The Authors; 88 Letter to the Editor; 90 Indexes to Nuclear Safety, Volume 36.

05 NUCLEAR FUELS↗
DOE OSTI2018

Mn- and N- doped carbon as promising catalysts for oxygen reduction reaction: Theoretical prediction and experimental validation

Development of platinum group metal (PGM)-free as well as iron-free electrocatalysts is imperative to achieve low-cost and long-term durability of polymer electrolyte membrane fuel cells. Here in this paper, we combined computational and experimental studies to investigate the mechanism, activity, and durability of Mn and N co-doped carbon (denoted as Mn-N-C) as promising catalysts for oxygen reduction reaction (ORR) in challenging acid medium. The first-principles density functional theory calculations predict that it is favorable for O 2 to be reduced into H 2 O via four-electron pathway on MnN 4 sites embedded in carbon layer. Using the reaction energies calculated from DFT, microkinetic analysis predicts that the MnN 4 sites could catalyze ORR with a half-wave potential only 60 mV lower than that of Pt (111) and 80 mV lower than that of the FeN 4 sites embedded in carbon layer, assuming the same density of active sites in the catalysts. Motivated by the computational prediction, we synthesized a Mn-N-C catalyst using a polymer (i.e., polyaniline-PANI) hydrogel precursors via a high temperature approach. Structural characterization indicates that atomically dispersed Mn sites coordinated with N are very likely formed in the catalyst. Electrochemical measurements show that the synthesized Mn-N-C catalyst can promote four-electron ORR with a catalytic activity in acids comparable to that of the Fe-N-C catalyst prepared using the same procedure. More importantly, the Mn-N-C catalyst exhibits superior potential cyclic stability, only losing 20 mV after 10000 cycles (0.6 to 1.0 V in O 2 saturated electrolyte). In comparison, the Fe-N-C catalyst would loss 80 mV after only 5000 cycles under the same testing conditions. Our computational and experimental results strongly suggest that the Mn and N co-doped carbon could be promising high-performance catalysts for ORR in acidic medium.

25 ENERGY STORAGE↗
DOE OSTI2018

Ab Initio Thermodynamics of Iridium Surface Oxidation and Oxygen Evolution Reaction

Iridium-based materials are considered as state-of-the-art electrocatalysts for oxygen evolution reaction (OER), however, their stability and catalytic activity greatly depend on surface-state changes induced by electrochemical cycling. To better understand the behavior of the low-index Ir surfaces in an electrochemical environment, we perform a systematic thermodynamic analysis by means of the density functional theory (DFT) calculations. On the basis of computed surface energies of the Ir (111), (110) and (100) facets as a function of applied electrode potential and coverage of adsorbed water species we determine stability maps and predict equilibrium shapes of Ir nanoparticles. Our calculations also show that metastable oxide precursors formed at the initial stages of Ir surface oxidation are responsible for enhanced catalytic activity toward OER as compared to metal surfaces covered by oxygen adsorbates and thick-oxide films. Such enhancement occurs not only due to the modified thermodynamic stability of OER intermediates, but also because thin-oxide layers may display the more energetically favorable I2M (interaction of two M–O units) rather than WNA (water nucleophilic attack) OER mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Strat-trop exchange

Exchange between the stratosphere and troposphere is important to the chemical composition of both regions. The export of ozone from the stratosphere provides the troposphere with a means of initiating photochemistry. The precursor molecules originating from the planetary surface provide the stratosphere with its chemical feedstock from which the ozone-controlling HO(x), NO(x), and Cl(x) photochemistries are driven. The tropopause is defined both statistically and in a local, synoptic sense by the value P(sub theta) = .000016 K sq m/kg/s, taken from an objective analysis of 8 years of zonal, temporal mean cross sections of potential temperature, wind and potential vorticity.

Tuck, A. F.↗
NASA NTRS2012

First Detection of Krypton and Xenon in a White Dwarf

We report on the first detection of the noble gases krypton (Z = 36) and xenon (54) in a white dwarf. About 20 KrVI-VII and Xe VI-VII lines were discovered in the ultraviolet spectrum of the hot DO-type white dwarf RE 0503-289. The observations, performed with the Far Ultraviolet Spectroscopic Explorer, also reveal highly ionized photospheric lines from other trans-iron group elements, namely Ga (31), Ge (32), As (33), Se (34), Mo (42), Sn (50), Te (52), and I (53), from which gallium and molybdenum are new discoveries in white dwarfs, too. For Kr and Xe, we performed an NLTE analysis and derived mass fractions of log Kr = -4.3 plus or minus 0.5 and log Xe = -4.2 plus or minus 0.6, corresponding to an enrichment by factors of 450 and 3800, respectively, relative to the Sun. The origin of the large overabundances is unclear. We discuss the roles of neutron-capture nucleosynthesis in the-precursor star and radiation-driven diffusion. It is possible that diffusion is insignificant and thaI the observed metal abundances constrain the evolutionary history of the star. Its hydrogen deficiency may be the consequence of a late helium-shell nash or a binary white dwarf merger.

Werner, Klaus↗
NASA NTRS2020

First Detections of Dichlorobenzene Isomers and Trichloromethylpropane from Organic Matter Indigenous to Mars Mudstone in Gale Crater, Mars: Results from the Sample Analysis at Mars Instrument Onboard the Curiosity Rover

Chromatographic analysis of the Cumberland mudstone in Gale crater by the Sample Analysis at Mars (SAM) instrument revealed the detection of two to three isomers of dichlorobenzene. Their individual concentrations were estimated to be in the 0.5–17 ppbw range relative to the sample mass. We also report the first detection of trichloromethylpropane and the confirmation of the detection of chlorobenzene previously reported. Supporting laboratory experiments excluded the SAM internal background as the source of those compounds, thus confirming the organic carbon and chlorine of the newly detected chlorohydrocarbons are indigenous to the mudstone sample. Laboratory experiments also demonstrated that the chlorohydrocarbons were mainly produced from chemical reactions occurring in the SAM ovens between organic molecules and oxychlorines contained in the sample. The results we obtained show that meteoritic organics and tested chemical species (a polycyclic aromatic hydrocarbon, an amino acid, and a carboxylic acid) were plausible organic precursors of the chlorinated aromatic molecules detected with SAM, thus suggesting that they could be among the organic molecules present in the mudstone. Results from this study coupled with previously reported detections of chlorinated aromatics (<300 ppbw) indigenous to the same mudstone highlight that organics can be preserved from the harsh surface conditions even at shallow depth. The detection of new chlorohydrocarbons with SAM confirms that organic molecules should have been available in an environment favorable to life forms, strengthening the habitability aspect of Gale crater. Key Words: Mars—Chlorinated organic molecules—In situ measurements—Sample Analysis at Mars— Mudstone—Gale crater. Astrobiology 20, 292–306.

Szopa, Cyril↗