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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
NASA NTRS1977

Status of the DOE (STOR)-sponsored national program on hydrogen production from water via thermochemical cycles

The program structure is presented. The activities of the thermochemical cycles program are grouped according to the following categories: (1) specific cycle development, (2) support research and technology, (3) cycle evaluation. Specific objectives and status of on-going activities are discussed. Chemical reaction series for the production of hydrogen are presented. Efficiency and economic evaluations are also discussed.

Baker, C. E.↗
NASA NTRS1979

The Addition of EI/CI Capability to the Mattauch-herzog Spectrograph with EOID

A modification was made to the Mattauch-Herzog Spectrograph with an electro-optical ion detector (EOID) previously designed and constructed, so that it would be capable of operating not only in the electron-impact (EI) mode of ionization, but also in the chemical ionization (CI) mode. This modification necessitated an effort in three specific design areas: (1) sample inlet; (2) ion source and analyzer regions; and (3) the pumping system. In addition, an appropriate electronics package had to be designed to control and operate the combined EI/CI source.

Fergusson, G. J.↗
NASA NTRS1987

Cloud chemistry on Jupiter

Chemical equilibrium models used currently to interpret observations of Jupiter are reexamined using new data defining thermal profiles, which are substantially different from those used in the previous models. A model is developed for the chemical reactions controlling the composition of the upper troposphere on Jupiter, specifically the cloud-forming region from 10 bar to 0.1 bar, which includes, for the first time, the effects of aqueous chemistry on the composition and the vertical distribution of many measurable species in the atmosphere, identifying the factors influencing their abundances above the H2O cloud. The thermodynamic data for potential condensates on Jupiter, i.e., NH3(s), NH4SH(s), (NH4)2S(s), and H2S(s), are reexamined, recognizing the lack of data on sulfides for the temperature range of interest on Jupiter. Vertical profiles of mixing ratios for CO2, H2S, NH3, and H2, obtained for several assumed bulk abundances with respect to solar, are presented.

Carlson, Barbara E.↗
NASA NTRS1992

CFD analysis of the STME nozzle flowfield

The Space Transportation Main Engine (STME) uses a gas generator cycle to cool the nozzle wall by a film-dump of the turbine exhaust. The ability to cool the skirt is a key concern in the design of the STME. CFD calculations were undertaken to predict the film cooling effectiveness and performance sensitivities for various configurations, operating points, and inlet conditions. The results presented here were obtained for the subscale nozzle. The computations were performed using REFLEQS. The computational analysis showed that a chemical equilibrium model was necessary to obtain correct predictions of the specific impulse. The frozen composition model underpredicts the ISP by about 6 percent. It was also observed that the coolant film was successful in maintaining the nozzle wall well below the stagnation temperature of the core flow. The effect of the coolant flow on the performance of the engine was found to be negligible. The computed heat fluxes at the wall were in good agreement with the empirical data obtained by Pratt and Whitney. Further test data from Pratt and Whitney are forthcoming for the subscale nozzle. Calculations will be performed to determine cooling efficiencies and nozzle performance over a range of conditions, and model predictions will be compared with experimental data. Information is given in viewgraph form.

Krishnan, Anantha↗
NASA NTRS1996

Design of a power management and distribution system for a thermionic-diode powered spacecraft

The Electrical Systems Development Branch of the Power Technology Division at the NASA Lewis Research Center in Cleveland, Ohio is designing a Power Management and Distribution (PMAD) System for the Air Force's Integrated Solar Upper Stage (ISUS) Engine Ground Test Demonstration (EGD). The ISUS program uses solar-thermal propulsion to perform orbit transfers from Low Earth Orbit (LEO) to Geosynchronous Orbit (GEO) and from LEO to Molnya. The ISUS uses the same energy conversion receiver to perform the LEO to High Earth Orbit (HEO) transfer and to generate on-orbit electric power for the payloads. On-orbit power generation is accomplished via two solar concentrators heating a dual-cavity graphite-core which has Thermionic Diodes (TMD's) encircling each cavity. The graphite core and concentrators together are called the Receiver and Concentrator (RAC). The TDM-emitters reach peak temperatures of approximately 2200K, and the TID-collectors are run at approximately 1000K. Because of the high Specific Impulse (I(sup sp)) of solar thermal propulsion relative to chemical propulsion, and because a common bus is used for communications, GN&C, power, etc., a substantial increase in payload weight is possible. This potentially allows for a stepdown in the required launch vehicle size or class for similar payload weight using conventional chemical propulsion and a separate spacecraft bus. The ISUS power system is to provide 1000W(sub e) at 28+/-6V(sub dc) to the payload/spacecraft from a maximum TID generation capability of 1070W(sub e) at 2200K. Producing power with this quality, protecting the spacecraft from electrical faults and accommodating operational constraints of the TID's are the responsibilities of the PMAD system. The design strategy and system options examined along with the proposed designs for the Flight and EGD configurations are discussed herein.

Kimnach, Greg L.↗
NASA NTRS2003

An Evaluation of Electronic Nose for Space Program Applications

The ability to monitor air contaminants in the Shuttle and the International Space Station is important to ensure the health and safety of astronauts. Three specific space applications have been identified that would benefit from a chemical monitor: organic contaminants in crew cabins, propellant contaminants in the airlock, and pre-combustion fire detection. NASA has assessed several commercial and developing electronic noses (e-noses) for these applications. A preliminary series of tests identified those e-noses that exhibited sufficient sensitivity to the vapors of interest. These e-noses were further tested to assess their ability to identify vapors, and in-house software has been developed to enhance identification. This paper describes the tests, the classification ability of selected e-noses, and the software improvements made to meet the requirements for these space program applications.

Young, Rebecca C.↗
NASA NTRS2012

Modular Growth NTR Space Transportation System for Future NASA Human Lunar, NEA and Mars Exploration Missions

The nuclear thermal rocket (NTR) is a proven, high thrust propulsion technology that has twice the specific impulse (I(sub sp) approx.900 s) of today's best chemical rockets. During the Rover and NERVA (Nuclear Engine for Rocket Vehicle Applications) programs, twenty rocket reactors were designed, built and ground tested. These tests demonstrated: (1) a wide range of thrust; (2) high temperature carbide-based nuclear fuel; (3) sustained engine operation; (4) accumulated lifetime; and (5) restart capability - everything required for affordable human missions beyond LEO. In NASA's recent Mars Design Reference Architecture (DRA) 5.0 study, the NTR was selected as the preferred propulsion option because of its proven technology, higher performance, lower IMLEO, versatile vehicle design, and growth potential. Furthermore, the NTR requires no large technology scale-ups since the smallest engine tested during the Rover program - the 25 klb(sub f) "Pewee" engine is sufficient for human Mars missions when used in a clustered engine configuration. The "Copernicus" crewed Mars transfer vehicle developed for DRA 5.0 was an expendable design sized for fast-conjunction, long surface stay Mars missions. It therefore has significant propellant capacity allowing a reusable "1-year" round trip human mission to a large, high energy near Earth asteroid (NEA) like Apophis in 2028. Using a "split mission" approach, Copernicus and its two key elements - a common propulsion stage and integrated "saddle truss" and LH2 drop tank assembly - configured as an Earth Return Vehicle / propellant tanker, can also support a short round trip (approx.18 month) / short orbital stay (60 days) Mars reconnaissance mission in the early 2030's before a landing is attempted. The same short stay orbital mission can be performed with an "all-up" vehicle by adding an "in-line" LH2 tank to Copernicus to supply the extra propellant needed for this higher energy, opposition-class mission. To transition to a reusable Mars architecture, Copernicus' saddle truss / drop tank assembly is replaced by an in-line tank and "star truss" assembly with paired modular drop tanks to further increase the vehicle's propellant capacity. Shorter "1-way" transit time fast-conjunction Mars missions are another possibility using this vehicle configuration but, as with reusability, increased launch mass is required. "Scaled down" versions of Copernicus (sized to a SLS lift capability of approx.70 t - 100 t) can be developed initially allowing reusable lunar cargo delivery and crewed landing missions, easy NEA missions (e.g., 2000 SG344 also in 2028) or an expendable mission to Apophis. Mission scenario descriptions, key vehicle features and operational characteristics are provided along with a brief discussion of NASA's current activities and its "pre-decisional" plans for future NTR development.

Borowski, Stanley K.↗
NASA NTRS2018

NH4-Smectite, a Potential Source of N Compounds (NO) in SAM Analyses

Recent detection of nitrate by Curiosity's Sample Analysis at Mars (SAM) instrument suite in Gale Crater sediments on Mars at abundances up to ~600 mg/kg indicates that nitrogen fixation processes occurred in early Martian history. But little is known about other possible N reservoirs on Mars, including those that may contain reduced forms of fixed N (i.e., NH3, NH4+) in the mantle, crust and sediments. Specifically, fixed nitrogen (i.e. NH3, NH4+, NOx or N that is chemically bound to either inorganic or organic molecules and can be released by hydrolysis to form NH3 or NH4+) is useful to terrestrial living organisms Therefore, understanding whether reduced N compounds such as NH4+ are present in surface materials is important to assess habitability in the Martian environment. While these species generally have short photochemical lifetimes, nitrogen in this form may be sequestered and stabilized in the soil by inclusion of NH4+ in certain phyllosilicates.

Andrejkovičová, S.↗
DOE OSTI2020

Microbial electro-photosynthesis

Methods and apparatus for growing photosynthetic organisms lacking Photosystem II (PSII) function using externally supplied electrons shuttled into the organism using redox mediators to improve photosynthetic output and to produce and recover chemicals of interest. By removing PSII, all PAR photons are funneled toward Photosystem I, thereby significantly increasing the theoretical photon utilization efficiency for CO2 fixation, energy storage and the capacity to synthesize valuable chemicals. Additional genetic modification can be performed to insert or enhance specific metabolic pathways to generate products of commercial interest.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2018

Robust Exploration and Commercial Missions to the Moon Using Nuclear Thermal Rocket Propulsion and In Situ Propellants Derived from Lunar Polar Ice Deposits

The nuclear thermal rocket (NTR) has frequently been identified as a key space asset required for the human exploration of Mars. This proven technology can also provide the affordable “access through cislunar space” necessary for commercial development and sustained human presence on the Moon. It is a demonstrated technology capable of generating both high thrust and high specific impulse (I(sub sp) ~900 s)— twice that of today’s best chemical rockets. Nuclear lunar transfer vehicles—consisting of a propulsion stage using three ~16.5-klb(sub f) small nuclear rocket engines (SNREs), an in-line propellant tank, plus the payload—can enable a variety of reusable lunar missions. These include cargo delivery and crewed lunar landing missions. Even weeklong “tourism” missions carrying passengers into lunar orbit for a day of sightseeing and picture taking are possible. The NTR can play an important role in the next phase of lunar exploration and development by providing a robust in-space lunar transportation system (LTS) that can allow initial outposts to evolve into settlements supported by a variety of commercial activities such as in situ propellant production used to supply strategically located propellant depots and transportation nodes. The processing of lunar polar ice (LPI) deposits (estimated to be ~2 billion metric tons) for propellant production—specifically liquid oxygen (LO(sub 2)) and hydrogen (LH(sub 2))—can significantly reduce the launch mass requirements from Earth and can enable reusable, surface-based lunar landing vehicles (LLVs) using LO(sub 2)/LH(sub 2) chemical rocket engines. Afterwards, LO(sub 2)/LH(sub 2) propellant depots can be established in lunar polar and equatorial orbits to supply the LTS. At this point a modified version of the conventional NTR called the LO(sub 2)-augmented NTR, or LANTR, would be introduced into the LTS, allowing bipropellant operation and leveraging the mission benefits of refueling with lunar-derived propellants (LDPs) for Earth return. The bipropellant LANTR engine utilizes the large divergent section of its nozzle as an “afterburner” into which oxygen is injected and supersonically combusted with nuclear preheated hydrogen emerging from the engine’s choked sonic throat—essentially “scramjet propulsion in reverse.” By varying the oxygen-to-hydrogen mixture ratio, LANTR engines can operate over a range of thrust and I(sub sp) values while the reactor core power level remains relatively constant. A LANTR-based LTS offers unique mission capabilities including short transit time crewed cargo transports. Even a “commuter” shuttle service may be possible, allowing “one-way” trip times to and from the Moon on the order of 36 hr or less. If only 1% of the postulated trapped water ice were available for use in lunar orbit, such a supply could support routine commuter flights to the Moon for many thousands of years. This report outlines an evolving LTS architecture that uses propellants derived from LPI and examines a variety of mission types and transfer vehicle designs along with their operating characteristics and increasing demands on LDP production as mission complexity and velocity change ΔV requirements increase. A comparison of the LDP production and mining requirements using LPI and volcanic glass to produce lunar-derived liquid oxygen (LUNOX) via the hydrogen reduction process is included, and the synergy with an evolving helium-3 mining industry is also discussed.

Borowski, Stanley K.↗
DOE OSTI2020

First-principles modeling of chemistry in mixed solvents: Where to go from here?

Mixed solvents (i.e., binary or higher order mixtures of ionic or nonionic liquids) play crucial roles in chemical syntheses, separations, and electrochemical devices because they can be tuned for specific reactions and applications. Apart from fully explicit solvation treatments that can be difficult to parameterize or computationally expensive, there is currently no well-established first-principles regimen for reliably modeling atomic-scale chemistry in mixed solvent environments. We offer our perspective on how this process could be achieved in the near future as mixed solvent systems become more explored using theoretical and computational chemistry. We first outline what makes mixed solvent systems far more complex compared to single-component solvents. An overview of current and promising techniques for modeling mixed solvent environments is provided. We focus on so-called hybrid solvation treatments such as the conductor-like screening model for real solvents and the reference interaction site model, which are far less computationally demanding than explicit simulations. We also propose that cluster-continuum approaches rooted in physically rigorous quasi-chemical theory provide a robust, yet practical, route for studying chemical processes in mixed solvents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2024

Spacecraft Maximum Allowable Concentrations for Airborne Contaminants: Revision C

The enclosed table lists official Spacecraft Maximum Allowable Concentrations (SMACs) for selected airborne contaminants. They are based upon experiments conducted at standard pressure and oxygen environments and may or may not be applicable to altered atmospheres. The values listed in this summary document are applicable only to ambient conditions at standard temperature and oxygen (14.7 psi and 21% O2 at 25°C). These are guideline values set by the National Aeronautics and Space Administration (NASA)/Johnson Space Center (JSC) Toxicology Group in cooperation with the National Research Council Committee on Toxicology (NRCCOT), through publication in the peer- reviewed scientific literature, or NASA Technical Memoranda. Based on documented guidance (NRC, 1992; NRC, 2016), NASA has established SMACs for 58 chemical compounds that are particularly relevant to atmospheric contamination of the International Space Station (ISS) and targets of Exploration. Some long-term limits (1000-days) have also been established to support manned deep-space exploration. Summaries of these SMACs are presented in tabular form as part of this publication. This document provides a tabular summary of values that have been previously established based on guidelines established by NASA and the National Research Council’s Committee on Toxicology and vetted and published through the NRCCOT and/or non-NASA scientific literature and NASA Technical Memoranda. Short‐term (1‐ and 24‐hour) SMACs apply to off‐nominal situations, such as accidental releases aboard a spacecraft. These limits permit risk of minor, reversible effects, such as mild mucosal irritation. In contrast, the long‐term SMACs are set to fully protect healthy crewmembers from adverse effects resulting from continuous exposure to specific air pollutants for up to 1000 days. Because allergic reactions or chemical idiosyncrasy to certain airborne pollutants are very difficult to predict, crewmembers with allergies or unusual sensitivity to trace pollutants may not be afforded complete protection, even when long‐term SMACs are not exceeded.

SMACs↗
NASA NTRS1985

Chemical kinetic performance losses for a hydrogen laser thermal thruster

Projected requirements for efficient, economical, orbit-raising propulsion systems have generated investigations into several potentially high specific impulse, moderate thrust, advanced systems. One of these systems, laser thermal propulsion, utilizes a high temperature plasma as the enthalpy source. The plasma is sustained by a focused laser beam which maintains the plasma temperature at levels near 20,000 K. Since such temperature levels lead to total dissociation and high ionization, the plasma thruster system potentially has a high specific impulse decrement due to recombination losses. The nozzle flow is expected to be sufficiently nonequilibrium to warrant concern over the achievable specific impluse. This investigation was an attempt at evaluation of those losses. The One-Dimensional Kinetics (ODK) option of the Two-Dimensional Kinetics (TDK) Computer Program was used with a chemical kinetics rate set obtained from available literature to determine the chemical kinetic energy losses for typical plasma thruster conditions. The rates were varied about the nominal accepted values to band the possible losses. Kinetic losses were shown to be highly significant for a laser thermal thruster using hydrogen. A 30 percent reduction in specific impulse is possible simply due to the inability to completely extract the molecular recombination energy.

Mccay, T. D.↗
DOE OSTI2023

Highly-scalable GPU-accelerated compressible reacting flow solver for modeling high-speed flows

Emerging supercomputing systems utilize a combination of central processing units (CPUs) and graphics processing units (GPUs) in an effort to reach exascale capabilities while minimizing the energy footprint of operating such systems. Such heterogeneous machines introduce new challenges for fluids solvers because the hardware architecture and operation of a GPU are fundamentally different from conventional CPUs. In this work, a general approach for efficient implementation of finite-volume based reacting flow solvers on such heterogeneous systems is presented. Three main challenges, namely, data access pattern, thread divergence, and thread safety, are addressed. Since compressible reacting flows require special methods to deal with chemical reactions, hyperbolic and nonlinear convection terms, and the presence of turbulence, specific algorithms that ensure GPU-based efficiency are developed. The approach is demonstrated on the widely available OpenFOAM open source software by modifying core algorithms for GPU accessibility. The scalability of the resulting solver, is demonstrated using practical test cases, including flow through a scramjet engine and the dynamics of a rotating detonation engine. Here, the solver provides near-ideal scaleup on a large number of GPUs (>3000), and extremely efficient use of the GPUs, with throughput nearly a constant even when processing a large number of control volumes.

42 ENGINEERING↗
DOE OSTI2023

Bioinspired Catalyst Design Principles: Progress in Emulating Properties of Enzymes in Synthetic Catalysts

Catalysis enables many aspects of modern life, including fuels, products, plastics, and medicines. Recent advances in catalysis have enabled us to realize higher efficiencies and new processes. Ideally, we seek to achieve high rates of selective conversions using catalysts derived from abundantly available elements and operating under mild conditions, specifically lower reaction temperatures and pressures. Such catalysts could enable decentralized, on-demand synthesis of chemicals and energy carriers. Nature has demonstrated the feasibility of this approach with enzymes, which showcase catalytic processes at low temperatures and pressures with nonprecious metals. Current thinking holds that in addition to the active site, the complexity of the enzyme structure, specifically the protein scaffold, is also critical to achieving this performance. Recreating this environment has been a long-standing scientific goal. However, we still understand the functions of enzymes better than we understand the de novo design of catalysts that mimic enzymes features, while also retaining their activity and selectivity under more demanding conditions. Here, in this Perspective, we will critically examine four key areas of catalyst design that incorporate the chemical and structural properties of enzymes into synthetic catalysts: (i) the use of confinement to enhance catalytic activity, (ii) tailoring the environment around the active site, (iii) proton transport, and (iv) bifunctionality and cooperativity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A small molecule antagonizes jasmonic acid perception and auxin responses in vascular and nonvascular plants

The phytohormone jasmonoyl-L-isoleucine (JA-Ile) regulates many stress responses and developmental processes in plants. A co-receptor complex formed by the F-box protein Coronatine Insensitive 1 (COI1) and a Jasmonate (JA) ZIM-domain (JAZ) repressor perceives the hormone. JA-Ile antagonists are invaluable tools for exploring the role of JA-Ile in specific tissues and developmental stages, and for identifying regulatory processes of the signaling pathway. Using two complementary chemical screens, we identified three compounds that exhibit a robust inhibitory effect on both the hormone-mediated COI–JAZ interaction and degradation of JAZ1 and JAZ9 in vivo. One molecule, J4, also restrains specific JA-induced physiological responses in different angiosperm plants, including JA-mediated gene expression, growth inhibition, chlorophyll degradation, and anthocyanin accumulation. Interaction experiments with purified proteins indicate that J4 directly interferes with the formation of the Arabidopsis (Arabidopsis thaliana) COI1–JAZ complex otherwise induced by JA. The antagonistic effect of J4 on COI1–JAZ also occurs in the liverwort Marchantia polymorpha, suggesting the mode of action is conserved in land plants. Besides JA signaling, J4 works as an antagonist of the closely related auxin signaling pathway, preventing Transport Inhibitor Response1/Aux–indole-3-acetic acid interaction and auxin responses in planta, including hormone-mediated degradation of an auxin repressor, gene expression, and gravitropic response. However, J4 does not affect other hormonal pathways. Altogether, our results show that this dual antagonist competes with JA-Ile and auxin, preventing the formation of phylogenetically related receptor complexes. J4 may be a useful tool to dissect both the JA-Ile and auxin pathways in particular tissues and developmental stages since it reversibly inhibits these pathways. One-sentence summary: A chemical screen identified a molecule that antagonizes jasmonate perception by directly interfering with receptor complex formation in phylogenetically distant vascular and nonvascular plants.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Lessons from intramolecular singlet fission with covalently bound chromophores

Molecular dimers, oligomers, and polymers are versatile components in photophysical and optoelectronic architectures that could impact a large variety of applications. We present a perspective on such systems in the field of singlet fission, which effectively multiplies excitons and produces a unique excited state species, the triplet pair. The choice of chromophore and the nature of the attachment between units, both geometrical and chemical, play a defining role in the dynamical scheme that evolves upon photoexcitation. Specific final outcomes (e.g., separated and uncorrelated triplet pairs) are being sought through rational design of covalently bound chromophore architectures built with guidance from recent fundamental studies that correlate structure with excited state population flow kinetics.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Machine learning-enabled discovery of ionic liquid–solvent electrolytes exhibiting high ionic conductivity

Ionic liquids (ILs), which are a class of materials with versatile nature and growing popularity, are facing impediments toward widespread usage as electrolytes due to various factors such as low ionic conductivity, high viscosity, high market price etc. One of the ways these limitations can be addressed is by mixing ILs with a molecular solvent. In a combinatorial sense, there exists an immense number of specific IL–solvent combinations. An exhaustive experimental or even simulation-based investigation of the chemical space spanned by such combinations can be extremely time-consuming, expensive, and nearly impossible. An alternative approach is to employ machine learning-based models developed from available databases. Although there exists prior literature that integrates machine learning to investigate mixtures of specific solvents with ILs, these models lack generalization necessitating development of a large number of ML models to handle various solvents. To remedy this shortcoming, as a part of designing green electrolytes with high ionic conductivity that can have potential applications in next-generation batteries and solar cells, this work aims to develop a unified machine learning model to predict ionic conductivity of any IL–solvent mixture system. In this regard, three models, namely, Random Forest, extreme gradient boosting (XGBoost), and artificial neural network (ANN) were formulated using the NIST ILThermo database. The dataset contained 549 unique ionic liquids from 16 cation families and 81 unique solvents, representing a total of 23 712 datapoints. SHAPLEY additive explanation (SHAP) method was used to assess the impact of various features on model prediction and their significance was compared with literature to gain physical insight about the model behavior. Finally, using the developed models, approximately 2.5 million IL–solvent mixtures at five different compositions were screened at room temperature. The high-throughput screening yielded nearly 19 000 IL–solvent mixtures for which ionic conductivity was found to exceed the ionic conductivity of conventional Li-ion battery electrolyte.

25 ENERGY STORAGE↗