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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS1978

Investigation of the Manicouagan impact crater, Quebec - An introduction

An interdisciplinary study of the 65-km diameter Manicouagan ring structure in Quebec was undertaken to gain insight into the integrated effects of impacts on terrestrial planetary bodies. The paper serves as an introduction to several companion papers and summarizes major conclusions. Studies of the 214 m.y. old structure show that the melt rocks are texturally inhomogeneous but chemically homogeneous and can be modeled as a mixture of target lithologies. The melt rocks have a Sr-87/Sr-86 ratio compatible with the melting of crustal rocks. The melt had a two-stage cooling history with clast-melt interactions indicative of mixing superheated silicate liquid with cold clasts. Grain size, clast reactions, and thermal equilibration of clasts and melts are described.

Phinney, W. C.↗
NASA NTRS1991

Compatibilities of YBa2Cu3O(9-delta) type phase in quintenary systems Y-Ba-Cu-O-X (impurity)

Isothermal phase diagrams at various oxygen pressures were studied by powder diffraction and chemical analytical methods. The components, Y, Ba, Cu, and O (specifically O2, O2-, and O2 sup 2-) are treated, together with C (specifically CO2 and CO2 sup 2-), alkaline metals, Mg, alkaline earths, Sc, 3-d and 4-f elements. Effects of the substitutions at the structural sites of YBa2Cu3O(9-delta) on T sub c are discussed with respect to changes in crystallochemical characteristics of the substituted phase and to the nature of the substituents.

Karen, P.↗
DOE OSTI2020

Ultralow Boundary Lubrication Friction by Three-Way Synergistic Interactions among Ionic Liquid, Friction Modifier, and Dispersant

Interactions among antiwear additives (AWs), friction modifiers (FMs), and dispersant in a lubricating oil are critical for tribological performance. This study investigates compatibilities of three oil-soluble ionic liquids (ILs, candidate AWs) with an FM, molybdenum dithiocarbamate (MoDTC), and a dispersant, polyisobutene succinimide (PIBSI) under boundary lubrication. Either synergistic or antagonistic effects were observed depending on the IL’s chemistry. Adding an aprotic phosphonium–alkylphosphate or phosphonium–alkylphosphinate IL into the oil containing MoDTC and PIBSI had detrimental impact on the friction and wear behavior. PIBSI was found to preferably interact/react with the aprotic IL to lose its ability of suspending MoDTC and to partially consume or even deplete the IL. In contrast, a protic ammonium–alkylphosphate IL seemed to be able to coexist with PIBSI and work synergistically with MoDTC, yielding a sustainable, ultralow boundary friction. A three-stage tribochemical process is proposed to explain how this IL + MoDTC pair interacts with the contact surface to form a chemically reacted, wear-protective tribofilm supporting a physically adsorbed, friction-reducing film on top. We report this study provides fundamental insights of the compatibilities among three common lubricant components, antiwear, friction modifier, and dispersant, which can be used to guide future lubricant development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Evaluating isoprenol production using the IPP-bypass pathway in the oleaginous yeast Rhodosporidium toruloides

Background To strengthen the national energy supply, there is an increasing demand for domestically generated aviation fuels. Bio-derived advanced aviation fuels offer the opportunity to meet this domestic need while presenting a unique opportunity to investigate the production of novel aviation fuels. Isoprenol, a chemical precursor to such novel fuels, has been shown to be a biologically producible compound in model organisms, but its bio-producibility needs to be further explored in organisms more compatible with industrial bioproduction. Results In this work, we evaluate isoprenol production using the promising bioproduction yeast, Rhodosporidium toruloides. First, we show successful isoprenol production using the IPP-bypass pathways most successful in laboratory strains of E. coli and S. cerevisiae. Next, we demonstrate that increased flux through the mevalonate pathway only modestly increases isoprenol titers. Using proteomics, we identified a potential bottleneck in production at the final step in the IPP-bypass pathway and explored alternative enzymes for this step. Finally, the top three strains of R. toruloides were evaluated in sorghum hydrolysates generated using cholinium lysinate. Through this work, 93.1 mg/L of isoprenol was produced in mock medium and 27.3 mg/L in sorghum hydrolysates. Conclusion Together these results lay the foundation for future work for the production of isoprenol from bioproduction crops.

Advanced aviation fuel↗
DOE OSTI2022

Modeling assisted synthesis of Zr-doped Li 3-x In 1-x Zr x Cl 6 with ultrahigh ionic conductivity for lithium-ion batteries

All-solid-state lithium-ion batteries (ASSLBs) are an important milestone for the future of energy storage because of their capability of impressive energy density and outstanding safety. However, oxide and sulfide solid-state electrolytes (SSEs) suffer from either low ionic conductivity or poor chemical stability. In contrast, halide-based SSEs, are promising as candidate materials owing to high conductivity, good stability, and broad cathode compatibility. Though element doping of the SSEs is an effective and common approach to further improve their electrochemical properties, dopant exploration and optimization through solely experimental trials are both costly and time-consuming. For this aspect, computational simulations for dopant element and concentration screening are adopted in this research and zirconium is selected as a suitable dopant for Li 3 InCl 6 . Further, the synthesized Li 2.75 In 0.75 Zr 0.25 Cl 6 exhibited Li ionic conductivity of 5.82 x 10 -3 Scm -1 at room temperature, which is the highest among reported halide SSEs. The ASSLB formed with Li 2 CoO 2 -Li 2.75 In 0.75 Zr 0.25 Cl 6 -Li/In delivers a high initial capacity of 129.3 mAh∙g -1 . Conclusively, this work provides an effective approach which combines computational modeling and experimental verification for the development of halide SSEs with improved stability and conductivity. The successful design approach and compelling results provide further possibilities and capabilities in future SSE research.

25 ENERGY STORAGE↗
NASA NTRS1982

Long term storage of cryogens in space

Experimental design procedures leading to the configuration of a space-based cryogenic fluids test system are reported. Large quantities of cryogenic fluids are expected to be required in space for cooling systems, chemical and electrical OTVs, and resupply tankers. The design was guided by the necessity for representative storage and supply systems to be compatible with the Shuttle. Consideration was given to liquid hydrogen, oxygen, methane, and argon containers and concommitant fluid dynamics, thermal, and structural analyses. A 5% initial ullage was included for the liquids, except for methane, which was calculated at 8.9%. The Ar, CH4, and O2 tanks were set at 12.5 cu m, while the H2 tank was 37.4 cu m. The orbital experiment is required to provide actual thermal stabilization lags in a zero-g environment. Details of the Cryogenic Fluid Management Facility test module for flight on board the Shuttle are presented.

Fester, D. A.↗
NASA NTRS1990

Detritus in K/T boundary clays of western North America - Evidence against a single oceanic impact

Understanding the crustal signature of impact ejecta contained in the Cretaceous/Tertiary (K/T) boundary layer is crucial to constraining the possible site(s) of the postulated K/T impact event. The relatively unaltered clastic constituents of the boundary layer at widely separated outcrops within the western interior of North America are not compatible with a single oceanic impact but require instead an impact site on a continent or continental margin. On the other hand, chemical compositions of highly altered K/T boundary layer components in some marine sections have suggested to others an impact into oceanic crust. We suspect that post-depositional alteration within the marine setting accounts for this apparent oceanic affinity. If, however, this is not the case, multiple simultaneous impacts, striking continent as well as ocean floor, would seem to be required.

Sharpton, V. L.↗
NASA NTRS2012

Sapphire Viewports for a Venus Probe

A document discusses the creation of a viewport suitable for use on the surface of Venus. These viewports are rated for 500 C and 100 atm pressure with appropriate safety factors and reliability required for incorporation into a Venus Lander. Sapphire windows should easily withstand the chemical, pressure, and temperatures of the Venus surface. Novel fixture designs and seals appropriate to the environment are incorporated, as are materials compatible with exploration vessels. A test cell was fabricated, tested, and leak rate measured. The window features polish specification of the sides and corners, soft metal padding of the sapphire, and a metal C-ring seal. The system safety factor is greater than 2, and standard mechanical design theory was used to size the window, flange, and attachment bolts using available material property data. Maintenance involves simple cleaning of the window aperture surfaces. The only weakness of the system is its moderate rather than low leak rate for vacuum applications.

Bates, Stephen↗
DOE OSTI2025

A physics-constrained neural ordinary differential equations approach for robust learning of stiff chemical kinetics

The high computational cost associated with solving for detailed chemistry poses a significant challenge for predictive computational fluid dynamics (CFD) simulations of turbulent reacting flows. While deep learning techniques have been explored to develop faster surrogate models, they often fail to integrate reliably with CFD solvers. This instability arises because traditional deep learning approaches optimize for training error without ensuring compatibility with ordinary differential equation (ODE) solvers, resulting in accumulation of errors over time. Recently, neuralODE (NODE) based approaches have been shown to be a promising technique to emulate and accelerate detailed chemistry computations. Here, in the present work, we extend this NODE framework for stiff chemical kinetics by incorporating mass conservation constraints directly into the loss function during training. This ensures that the total mass as well as the individual elemental species masses are conserved in an a-posteriori manner. Proof-of-concept studies are performed with the novel physics-constrained NODE (PC-NODE) approach for homogeneous autoignition of hydrogen-air mixture over a range of composition and thermodynamic conditions. It is demonstrated that the PC-NODE framework not only improves the physical consistency of the resulting data-driven model with respect to mass conservation criteria, but also improves training efficiency. PC-NODE is shown to achieve 2–100× speedup relative to the hydrogen-air detailed chemical mechanism depending on the type of the ODE solver (implicit or explicit) used during autoregressive inference tests. Lastly, a-posteriori studies are performed wherein the trained PC-NODE model is coupled with a CFD solver. It is shown that higher accuracy is achieved with PC-NODE relative to the purely data-driven NODE approach. Moreover, PC-NODE also exhibits robustness and generalizability to unseen initial conditions from within (interpolative capability) as well as outside (extrapolative capability) the training regime.

computational combustion↗
NASA NTRS1983

Long term compatability of hydrazine with metals: Results at the ten-year milestone

A test program to establish the effects of long term contact of materials with hydrazine for the purpose of designing chemical propulsion system components which can be used for current as well as future planetary spacecraft was analyzed. Materials included the following: aluminum alloys, corrosion resistant steels, and a titanium alloy. Material ratings relative to the 10 year milepost are assigned. The propellant was found to be stable. With minor exceptions, the materials tested were rated acceptable for a 10 year mission.

Moran, C. M.↗
DOE OSTI2023

Room Temperature Electrorefining of Rare Earth Metals from End-of-use Nd-Fe-B Magnets

Recovering rare earth elements (REE) from used permanent magnets, which contains about 30 wt.% of rare earth elements, has been persistent technological challenge. Current recycling methods relies on pyrometallurgical or hydrometallurgical processes which are energy- and chemical- intensive and not economically and environmentally viable for rare earth containing magnets. Enabling efficient and simplistic recovery and refining of REEs contained in End-of-Use (EoU) products, such as Neodymium-Iron-Boron (Nd-Fe-B) based magnets will play an important and complementary role in the total supply of REEs in the future. We designed a new electrochemical method and demonstrated a room temperature one-pot process that concurrently separates and electroplates REE from commercial Nd-Fe-B magnets. By establishing selective oxidation and reductive potential as electrochemical control parameter along with electrochemically compatible non-aqueous electrolyte system, we demonstrated selective electroleaching of lanthanides (Nd and Preseodymium (Pr)) from anode and concurrent plating as alloy at Pt cathode. The morphological and chemical evolution of the Nd-Fe-B magnets during electroleaching reveals the electrochemical stimuli and rate of dissolution depends on microstructural complexities of the Nd-Fe-B magnet. The concomitant electroplating process leads to Nd-Pr based alloy which can be used as raw metallic alloy for manufacturing new permanent magnet and other devices. Our study demonstrates a scalable separation and refining methodology, based on widely available organic electrolyte system and without any consumptive chemical use, for selective lanthanide recovery from waste magnets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1980

A physical model of Titan's clouds

A physical model of the formation and growth of aerosols in the atmosphere of Titan has been constructed in light of the observed correlation between variations in Titan's albedo and the sunspot cycle. The model was developed to fit spectral observations of deep methane bands, pressures, temperature distributions, and cloud structure, and is based on a one-dimensional physical-chemical model developed to simulate the earth's stratospheric aerosol layer. Sensitivity tests reveal the model parameters to be relatively insensitive to particle shape but sensitive to particle density, with high particle densities requiring larger aerosol mass production rates to produce compatible clouds. Solution of the aerosol continuity equations for particles of sizes 13 A to about 3 microns indicates the importance of a warm upper atmosphere and a high-altitude mass injection layer, and the production of aerosols at very low aerosol optical depths. Limits are obtained for the chemical production of aerosol mass and the eddy diffusion coefficient, and it is found that an increase in mass input causes a decrease in mean particle size.

Toon, O. B.↗
DOE OSTI2024

Organic Evaporation, Oxidation, and Hydrolysis Testing in Support of Hanford Sample-and-Send

The Hanford site has approximately 54 to 56 million gallons of radioactive mixed waste stored in 156 unretrieved underground storage tanks. The Hanford Waste Treatment and Immobilization Plant (WTP) is being built to treat and immobilize the tank waste. The baseline method for immobilization of Low Activity Waste (LAW) through the WTP is vitrification, but additional immobilization capacity is needed to supplement the initial LAW melters. An alternative cementitious waste form is being investigated for that future immobilization method. However, one impediment to a cementitious waste form is the presence of Land Disposal Restricted (LDR) organic chemicals in tank waste, which are regulated on a concentration based standard in the final waste form. Hence, if the quantity of organics in LAW is high enough, they must be destroyed or removed to make a waste form compatible with disposal in a mixed low level waste landfill. This work evaluates potential avenues for treatment of LDR organics to eliminate the impediment and permit possible use of a cementitious waste form. Vacuum evaporation testing to remove LDR organics consisted of preparing a non-radioactive LAW simulant, spiking that simulant with organic chemicals, and evaporating the mixture via differential distillation. The apparatus was a laboratory-scale vacuum evaporator operated at 60 ±5 torr absolute (vacuum evaporation). The LAW simulant represented the liquid expected to be retrieved from the Hanford tank farms at approximately 4.0 M [Na+] total sodium ion concentration. The concentration of the organic chemicals added was significantly higher than typically found in the tank waste samples since the higher levels were necessary to assist in analytical measurement and tracking of the spiked species.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Bulk‐Boundary Correspondence of Semimetal Ru 3 Sn 7 and Topological Surface States on Chemically Realistic Terminations

Ru 3 Sn 7 is experimentally demonstrated as an efficient catalyst, with potential utilization of topological surface states for hydrogen evolution reaction. Despite its promising catalytic performance, the topological nature of Ru 3 Sn 7 remains uncertain. Particularly, the bulk-boundary correspondence has not yet been established, hence hindering a rigorous justification of its topologically-protected surface states. In this work, the bulk topology of Ru 3 Sn 7 is detailed using first-principles calculations and the topological quantum chemistry formalism. Ru3Sn7 turns out to be an enforced semimetal possessing symmetry-protected crossings within a set of bands near the Fermi level, which are enforced and prescribed by the violations of symmetry-prescribed compatibility relations. Moreover, the surface states and the associated origin from the same set of entangled bands are identified, thereby establishing the bulk-boundary correspondence. To evaluate the effects of chemical modifications, the response of topological surface states to various surface terminations, stoichiometry, and oxidation is examined. The surface structures are globally optimized, and the phase diagrams for various experimental conditions are built. It is shown that, due to changes in the local chemical environment, the original surface states are significantly altered. Modified surface bands can be observed near the Fermi level on surface terminations that preserve the C 4v symmetry.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Optimized NiTe 2 /Ni back contacts via chemical deposition for high performance CdTe solar cells

The development of efficient and stable back contacts remains a major challenge in achieving high performance and long-term stability of CdTe thin-film solar cells. Here, this work revisits the formation of NiTe 2 by chemical bath deposition (CBD) as a back contact for CdTe devices. An optimized CBD recipe, based on high-purity precursors and the addition of copper chloride directly into the bath, was developed and applied to fabricate Cu-doped CdTe solar cells. A modified Cu-free methodology was also applied to Group V doped absorbers. The process included pinhole filling, ion milling, CBD, annealing, and sputtering to form a low-barrier back contact. Devices fabricated using this method achieved consistent open-circuit voltages (V oc ) above 800 mV and fill factors (FF) exceeding 70%. The best Cu-doped devices reached power conversion efficiencies (PCE) above 18 %, and preliminary results with Group V-doped material demonstrated compatibility of the method with high-efficiency, state-of-the-art CdTe devices. This study shows that NiTe 2 /Ni back contacts, formed via an optimized chemical process followed by sputtering of Ni, represent a promising pathway for achieving low-barrier and potentially stable back contacts in modern CdTe photovoltaics.

14 SOLAR ENERGY↗
DOE OSTI2025

Scalable Bottom-Up Synthesis of Nanoporous Hexagonal Boron Nitride ( h -BN) for Large-Area Atomically Thin Ceramic Membranes

Nanopores embedded within monolayer hexagonal boron nitride (h-BN) offer possibilities of creating atomically thin ceramic membranes with unique combinations of high permeance (atomic thinness), high selectivity (via molecular sieving), increased thermal stability, and superior chemical resistance. However, fabricating size-selective nanopores in monolayer h-BN via scalable top-down processes remains nontrivial due to its chemical inertness, and characterizing nanopore size distribution over a large area remains extremely challenging. Here, we demonstrate a facile and scalable approach of exploiting the chemical vapor deposition (CVD) process temperature to enable direct incorporation of subnanometer/nanoscale pores into the monolayer h-BN lattice, in combination with manufacturing compatible polymer casting to fabricate centimeter-scale nanoporous atomically thin ceramic membranes. We leverage diffusive transport of analytes including size-selective Ficoll sieving to characterize subnanometer-scale and nanoscale defects that manifest as pores in centimeter-scale h-BN membranes, overcoming previous limitations in large-area characterization of nanoscale defects in h-BN. Our approach opens a new frontier to advance atomically thin membranes to 2D ceramic materials, such as h-BN via facile and direct formation of nanopores, for size-selective separations.

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

Comparing Transcriptomic Points of Departure to Apical Effect Concentrations For Larval Fathead Minnow Exposed to Chemicals with Four Different Modes Of Action

It is postulated that below a transcriptomic-based point of departure, adverse effects are unlikely to occur, thereby providing a chemical concentration to use in screening level hazard assessment. The present study extends previous work describing a high-throughput fathead minnow assay that can provide full transcriptomic data after exposure to a test chemical. One-day post-hatch fathead minnows were exposed to ten concentrations of three representatives of four chemical modes of action: organophosphates, ecdysone receptor agonists, plant photosystem II inhibitors, and estrogen receptor agonists for 24 h. Concentration response modeling was performed on whole body gene expression data from each exposure, using measured chemical concentrations when available. Transcriptomic points of departure in larval fathead minnow were lower than apical effect concentrations across fish species but not always lower than toxic effect concentrations in other aquatic taxa like crustaceans and insects. The point of departure was highly dependent on measured chemical concentration which were often lower than the nominal concentration. Differentially expressed genes between chemicals within modes of action were compared and often showed statistically significant overlap. In addition, reproducibility between identical exposures using a positive control chemical (CuSO 4 ) and variability associated with the transcriptomic point of departure using in silico sampling were considered. Results extend a transcriptomic-compatible fathead minnow high-throughput assay for possible use in ecological hazard screening.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Quantum defects in carbon nanotubes as single-photon sources

Single-photon emitters are essential components of emerging quantum technologies, including secure communication and quantum computing. Single-walled carbon nanotubes (SWCNTs) have emerged as a promising platform for quantum light sources due to their quasi-one-dimensional excitonic host structure and compatibility with telecom photonic systems. Recent advances in deterministic defect engineering—most notably the development of organic color centers (OCCs)—have enabled stable, chemically controllable, and spectrally tunable single-photon emission. OCC-based emitters have demonstrated single-photon purity exceeding 99% and, more recently, room-temperature photon indistinguishability, placing them among the few solid-state systems with quantum-grade performance under ambient conditions. This review surveys progress in the field from three complementary perspectives: chemical synthesis and quantum defect engineering, computational studies of structure-property relationships and excitonic behavior, and experimental investigations of quantum optical properties. We also discuss alternative approaches, including air-suspended SWCNTs and hybrid van der Waals heterostructures, highlighting opportunities and open challenges for scalable integration into quantum photonic platforms.

36 MATERIALS SCIENCE↗