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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Chemical Gas Sensors for Aeronautic and Space Applications

Aeronautic and space applications require the development of chemical sensors with capabilities beyond those of commercially available sensors. Two areas of particular interest are safety monitoring and emission monitoring. In safety monitoring, detection of low concentrations of hydrogen at potentially low temperatures is important while for emission monitoring the detection of nitrogen oxides, hydrogen, hydrocarbons and oxygen is of interest. This paper discusses the needs of aeronautic and space applications and the point-contact sensor technology being developed to address these needs. The development of these sensors is based on progress in two types of technology: (1) Micromachining and microfabrication technology to fabricate miniaturized sensors. (2) The development of high temperature semiconductors, especially silicon carbide. The detection of each type of gas involves its own challenges in the fields of materials science and fabrication technology. The number of dual-use commercial applications of this microfabricated gas sensor technology make this general area of sensor development a field of significant interest.

Hunter, Gary W.↗
DOE OSTI2022

Autonomous design of new chemical reactions using a variational autoencoder

Artificial intelligence based chemistry models are a promising method of exploring chemical reaction design spaces. However, training datasets based on experimental synthesis are typically reported only for the optimal synthesis reactions. This leads to an inherited bias in the model predictions. Therefore, robust datasets that span the entirety of the solution space are necessary to remove inherited bias and permit complete training of the space. In this study, an artificial intelligence model based on a Variational AutoEncoder (VAE) has been developed and investigated to synthetically generate continuous datasets. The approach involves sampling the latent space to generate new chemical reactions. This developed technique is demonstrated by generating over 7,000,000 new reactions from a training dataset containing only 7,000 reactions. The generated reactions include molecular species that are larger and more diverse than the training set.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

ISRU Propellant Selection for Space Exploration Vehicles

Chemical propulsion remains the only viable solution as technically matured technology for the near term human space transportation to Lunar and Mars. Current mode of space travel requires us to "take everything we will need", including propellant for the return trip. Forcing the mission designers to carry propellant for the return trip limits payload mass available for mission operations and results in a large and costly (and often unaffordable) design. Producing propellant via In-Situ Resource Utilization (ISRU) will enable missions with chemical propulsion by the "refueling" of return-trip propellant. It will reduce vehicle propellant mass carrying requirement by over 50%. This mass reduction can translates into increased payload to enhance greater mission capability, reduces vehicle size, weight and cost. It will also reduce size of launch vehicle fairing size as well as number of launches for a given space mission and enables exploration missions with existing chemical propulsion. Mars remains the ultimate destination for Human Space Exploration within the Solar System. The Mars atmospheric consist of 95% carbon dioxide (CO2) and the presence of Ice (water) was detected on Mars surfaces. This presents a basic chemical building block for the ISRU propellant manufacturing. However, the rationale for the right propellant to produce via ISRU appears to be limited to the perception of "what we can produce" as oppose to "what is the right propellant". Methane (CH4) is often quoted as a logical choice for Mars ISRU propellant, however; it is believed that there are better alternatives available that can result in a better space transportation architecture. A system analysis is needed to determine on what is the right propellant choice for the exploration vehicle. This paper examines the propellant selection for production via ISRU method on Mars surfaces. It will examine propellant trades for the exploration vehicle with resulting impact on vehicle performance, size, and on launch vehicles. It will investigate propellant manufacturing techniques that will be applicable on Mars surfaces and address related issues on storage, transfer, and safety. Finally, it will also address the operability issues associated with the impact of propellant selection on ground processing and launch vehicle integration.

Chen, Timothy T.↗
NASA NTRS1999

Backscatter Modeling at 2.1 Micron Wavelength for Space-Based and Airborne Lidars Using Aerosol Physico-Chemical and Lidar Datasets

Space-based and airborne coherent Doppler lidars designed for measuring global tropospheric wind profiles in cloud-free air rely on backscatter, beta from aerosols acting as passive wind tracers. Aerosol beta distribution in the vertical can vary over as much as 5-6 orders of magnitude. Thus, the design of a wave length-specific, space-borne or airborne lidar must account for the magnitude of 8 in the region or features of interest. The SPAce Readiness Coherent Lidar Experiment under development by the National Aeronautics and Space Administration (NASA) and scheduled for launch on the Space Shuttle in 2001, will demonstrate wind measurements from space using a solid-state 2 micrometer coherent Doppler lidar. Consequently, there is a critical need to understand variability of aerosol beta at 2.1 micrometers, to evaluate signal detection under varying aerosol loading conditions. Although few direct measurements of beta at 2.1 micrometers exist, extensive datasets, including climatologies in widely-separated locations, do exist for other wavelengths based on CO2 and Nd:YAG lidars. Datasets also exist for the associated microphysical and chemical properties. An example of a multi-parametric dataset is that of the NASA GLObal Backscatter Experiment (GLOBE) in 1990 in which aerosol chemistry and size distributions were measured concurrently with multi-wavelength lidar backscatter observations. More recently, continuous-wave (CW) lidar backscatter measurements at mid-infrared wavelengths have been made during the Multicenter Airborne Coherent Atmospheric Wind Sensor (MACAWS) experiment in 1995. Using Lorenz-Mie theory, these datasets have been used to develop a method to convert lidar backscatter to the 2.1 micrometer wavelength. This paper presents comparison of modeled backscatter at wavelengths for which backscatter measurements exist including converted beta (sub 2.1).

Srivastava, V.↗
NASA NTRS2004

Passivating Window/First Layer AR Coating for Space Solar Cells

Chemically grown oxides, if well designed, offer excellent surface passivation of the emitter surface of space solar cells and can be used as effective passivating window/first layer AR coating. In this paper, we demonstrate the effectiveness of using a simple room temperature wet chemical technique to grow cost effective passivating layers on solar cell front surfaces after the front grid metallization step. These passivating layers can be grown both on planar and porous surfaces. Our results show that these oxide layers: (i) can effectively passivate the from the surface, (ii) can serve as an effective optical window/first layer AR coating, (iii) are chemically, thermally and UV stable, and (iv) have the potential of improving the BOL and especially the EOL efficiency of space solar cells. The potential of using this concept to simplify the III-V based space cell heterostructures while increasing their BOL and EOL efficiency is also discussed.

Faur, Mircea↗
NASA NTRSDate not supplied

Mars Opposition Piloted Nuclear Electric Propulsion (NEP)-Chem Vehicle

Many previous studies have examined sending crews to and from Mars. The most economical involved a ‘conjunction’ class whereby the crew spends around 500 days on Mars surface waiting for a ‘cheap’ return. The total mission time results in a mission duration around 3 years. Given the current demonstrated crew maximum of a 1 year stint on ISS, it is interesting to look at reducing that time to only two years, thus reducing risk and minimizing time in the Martian System. In order to meet such a short mission an ‘opposition’ class Mars mission (which includes a Venus flyby) was chosen. The energy required to perform such a mission in only two years (for the 2036 opportunity at least) is about three times that of the 3 year conjunction mission. The rocket equation clearly shows that this mission would then require several times the propellant of the three-year mission unless the Isp of the propulsion system can be increased. Electric propulsion can provide the 3-10x improvement in Isp but even with a nuclear reactor power levels could approach 10 MWe. As an alternative, a smaller reactor (1.5 MWe class) joined together with a chemical stage was found to allow for using each propulsion system to its best advantage: low thrust in interplanetary space and chemical in the gravity wells of Earth and Mars. Indeed, the use of high Isp, low thrust during the interplanetary leg of the journey’s reduced the required capture/departure ∆Vs by 5-10X. Lowering the NEP power also allowed fitting the power system into a single SLS launch – which limited the radiator area to ~ 2500m^2. For the first look a reactor using fuels created by the SP-100 program with a limit of ~1200K was assumed. Starting in the ‘Lunar Gateway’ also allowed for use of commercial tankers to fuel the vehicle in a relative benign place. A top level summary of the mission design, concept of operations, as well as a conceptual point design of the vehicle is described.

Nuclear Electric Propulsion↗
DOE OSTI2026

Chemical and morphological evolution of hybrid conversion coatings in low-Earth orbit space environment

Understanding how protective coatings respond to the harsh low-Earth orbit (LEO) environment is essential for ensuring the safety, longevity, and cost-effectiveness of spacecraft. In particular, identifying environmentally friendly, non-chromate alternatives that can maintain performance under such conditions has both technological and regulatory significance. This study investigates the environmental stability of zirconium-based hybrid conversion coatings with Cu additives (Cu10 and Cu20) applied to cold-rolled steel, tested in the Materials International Space Station Experiment (MISSE) outside the International Space Station (ISS). Chemical and morphological analyses were carried out using a combination of electron microscopy and X-ray spectroscopy techniques, including scanning electron microscopy (SEM), scanning transmission electron microscopy with energy-dispersive X-ray spectroscopy (STEM-EDS), X-ray photoelectron spectroscopy (XPS), and X-ray absorption near-edge structure (XANES) spectroscopy. After exposure outside the ISS, all coatings remained structurally intact, with all exhibiting a uniform Zr-rich matrix and embedded Cu-rich clusters, while a thin Si-rich surface layer developed from interaction with space environments. Depth-resolved XPS showed a layered structure with CuO on the surface, Cu 2 O, and partial Zr(IV) reduction near Cu-rich sites, evidence of Atomic Oxygen (AO)-driven surface oxidation. These results demonstrate that Cu–Zr coatings maintain their chemical integrity and microstructure in harsh space environments, offering a non-chromate alternative for long-term aerospace protection. These insights provide valuable guidance for developing next-generation protective coatings that combine environmental sustainability with the reliability required for future aerospace and orbital applications.

36 MATERIALS SCIENCE↗
NASA NTRS1999

Advanced Electric Propulsion for Space Solar Power Satellites

The sun tower concept of collecting solar energy in space and beaming it down for commercial use will require very affordable in-space as well as earth-to-orbit transportation. Advanced electric propulsion using a 200 kW power and propulsion system added to the sun tower nodes can provide a factor of two reduction in the required number of launch vehicles when compared to in-space cryogenic chemical systems. In addition, the total time required to launch and deliver the complete sun tower system is of the same order of magnitude using high power electric propulsion or cryogenic chemical propulsion: around one year. Advanced electric propulsion can also be used to minimize the stationkeeping propulsion system mass for this unique space platform. 50 to 100 kW class Hall, ion, magnetoplasmadynamic, and pulsed inductive thrusters are compared. High power Hall thruster technology provides the best mix of launches saved and shortest ground to Geosynchronous Earth Orbital Environment (GEO) delivery time of all the systems, including chemical. More detailed studies comparing launch vehicle costs, transfer operations costs, and propulsion system costs and complexities must be made to down-select a technology. The concept of adding electric propulsion to the sun tower nodes was compared to a concept using re-useable electric propulsion tugs for Low Earth Orbital Environment (LEO) to GEO transfer. While the tug concept would reduce the total number of required propulsion systems, more launchers and notably longer LEO to GEO and complete sun tower ground to GEO times would be required. The tugs would also need more complex, longer life propulsion systems and the ability to dock with sun tower nodes.

Oleson, Steve↗
DOE OSTI2024

Distinguishing homolytic vs heterolytic bond dissociation of phenylsulfonium cations with localized active space methods

Modeling chemical reactions with quantum chemical methods is challenging when the electronic structure varies significantly throughout the reaction and when electronic excited states are involved. Multireference methods, such as complete active space self-consistent field (CASSCF), can handle these multiconfigurational situations. However, even if the size of the needed active space is affordable, in many cases, the active space does not change consistently from reactant to product, causing discontinuities in the potential energy surface. The localized active space SCF (LASSCF) is a cheaper alternative to CASSCF for strongly correlated systems with weakly correlated fragments. The method is used for the first time to study a chemical reaction, namely the bond dissociation of a mono-, di-, and triphenylsulfonium cation. LASSCF calculations generate smooth potential energy scans more easily than the corresponding, more computationally expensive CASSCF calculations while predicting similar bond dissociation energies. Furthermore, our calculations suggest a homolytic bond cleavage for di- and triphenylsulfonium and a heterolytic pathway for monophenylsulfonium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1963

Space applications

Fuel cells as energy storage and chemical reactor during space flights

CHEMICAL REACTOR↗
NASA NTRS2012

Analyses of Hubble Space Telescope Aluminized-Teflon Insulation Retrieved After 19 Years of Space Exposure

Since its launch in April 1990, the Hubble Space Telescope (HST) has made many important observations from its vantage point in low Earth orbit (LEO). However, as seen during five servicing missions, the outer layer of multilayer insulation (MLI) has become successively more embrittled and has cracked in many areas. In May 2009, during the 5th servicing mission (called SM4), two MLI blankets were replaced with new insulation pieces and the space-exposed MLI blankets were retrieved for degradation analyses by teams at NASA Glenn Research Center (GRC) and NASA Goddard Space Flight Center (GSFC). The MLI blankets were from Equipment Bay 8, which received direct sunlight, and Equipment Bay 5, which received grazing sunlight. Each blanket contained a range of unique regions based on environmental exposure and/or physical appearance. The retrieved MLI blanket s aluminized-Teflon (DuPont) fluorinated ethylene propylene (Al-FEP) outer layers have been analyzed for changes in optical, physical, and mechanical properties, along with space induced chemical and morphological changes. When compared to pristine material, the analyses have shown how the Al-FEP was severely affected by the space environment. This paper reviews tensile properties, solar absorptance, thermal emittance, x-ray photoelectron spectroscopy (XPS) data and atomic oxygen erosion values of the retrieved HST blankets after 19 years of space exposure.

deGroh, Kim K.↗
NASA NTRS2011

Impacts of an Ammonia Leak on the Cabin Atmosphere of the International Space Station

Toxic chemical release into the cabin atmosphere is one of the three major emergency scenarios identified on the International Space Station (ISS). The release of anhydrous ammonia, the coolant used in the U.S. On-orbit Segment (USOS) External Active Thermal Control Subsystem (EATCS), into the ISS cabin atmosphere is one of the most serious toxic chemical release cases identified on board ISS. The USOS Thermal Control System (TCS) includes an Internal Thermal Control Subsystem (ITCS) water loop and an EATCS ammonia loop that transfer heat at the interface heat exchanger (IFHX). Failure modes exist that could cause a breach within the IFHX. This breach would result in high pressure ammonia from the EATCS flowing into the lower pressure ITCS water loop. As the pressure builds in the ITCS loop, it is likely that the gas trap, which has the lowest maximum design pressure within the ITCS, would burst and cause ammonia to enter the ISS atmosphere. It is crucial to first characterize the release of ammonia into the ISS atmosphere in order to develop methods to properly mitigate the environmental risk. This paper will document the methods used to characterize an ammonia leak into the ISS cabin atmosphere. A mathematical model of the leak was first developed in order to define the flow of ammonia into the ISS cabin atmosphere based on a series of IFHX rupture cases. Computational Fluid Dynamics (CFD) methods were then used to model the dispersion of the ammonia throughout the ISS cabin and determine localized effects and ventilation effects on the dispersion of ammonia. Lastly, the capabilities of the current on-orbit systems to remove ammonia were reviewed and scrubbing rates of the ISS systems were defined based on the ammonia release models. With this full characterization of the release of ammonia from the USOS TCS, an appropriate mitigation strategy that includes crew and system emergency response procedures, personal protection equipment use, and atmosphere monitoring and scrubbing hardware can be established.

Duchesne, Stephanie M.↗
NASA NTRS2012

Impacts of an Ammonia Leak on the Cabin Atmosphere of the International Space Station

Toxic chemical release into the cabin atmosphere is one of the three major emergency scenarios identified on the International Space Station (ISS). The release of anhydrous ammonia, the coolant used in the U.S. On-orbit Segment (USOS) External Active Thermal Control Subsystem (EATCS), into the ISS cabin atmosphere is one of the most serious toxic chemical release cases identified on board ISS. The USOS Thermal Control System (TCS) includes an Internal Thermal Control Subsystem (ITCS) water loop and an EATCS ammonia loop that transfer heat at the interface heat exchanger (IFHX). Failure modes exist that could cause a breach within the IFHX. This breach would result in high pressure ammonia from the EATCS flowing into the lower pressure ITCS water loop. As the pressure builds in the ITCS loop, it is likely that the gas trap, which has the lowest maximum design pressure within the ITCS, would burst and cause ammonia to enter the ISS atmosphere. It is crucial to first characterize the release of ammonia into the ISS atmosphere in order to develop methods to properly mitigate the environmental risk. This paper will document the methods used to characterize an ammonia leak into the ISS cabin atmosphere. A mathematical model of the leak was first developed in order to define the flow of ammonia into the ISS cabin atmosphere based on a series of IFHX rupture cases. Computational Fluid Dynamics (CFD) methods were then used to model the dispersion of the ammonia throughout the ISS cabin and determine localized effects and ventilation effects on the dispersion of ammonia. Lastly, the capabilities of the current on-orbit systems to remove ammonia were reviewed and scrubbing rates of the ISS systems were defined based on the ammonia release models. With this full characterization of the release of ammonia from the USOS TCS, an appropriate mitigation strategy that includes crew and system emergency response procedures, personal protection equipment use, and atmosphere monitoring and scrubbing hardware can be established.

Duchesne, Stephanie M.↗
NASA NTRS1999

Early root cap development and graviresponse in white clover (Trifolium repens) grown in space and on a two-axis clinostat

White clover (Trifolium repens) was germinated and grown in microgravity aboard the Space Shuttle (STS-60, 1994; STS-63, 1995), on Earth in stationary racks and in a slow-rotating two-axis clinostat. The objective of this study was to determine if normal root cap development and early plant gravity responses were dependent on gravitational cues. Seedlings were germinated in space and chemically fixed in orbit after 21, 40, and 72 h. Seedlings 96 h old were returned viable to earth. Germination and total seedling length were not dependent on gravity treatment. In space-flown seedlings, the number of cell stories in the root cap and the geometry of central columella cells did not differ from those of the Earth-grown seedlings. The root cap structure of clinorotated plants appeared similar to that of seedlings from microgravity, with the exception of three-day rotated plants, which displayed significant cellular damage in the columella region. Nuclear polarity did not depend on gravity; however, the positions of amyloplasts in the central columella cells were dependent on both the gravity treatment and the age of the seedlings. Seedlings from space, returned viable to earth, responded to horizontal stimulation as did 1 g controls, but seedlings rotated on the clinostat for the same duration had a reduced curvature response. This study demonstrates that initial root cap development is insensitive to either chronic clinorotation or microgravity. Soon after differentiation, however, clinorotation leads to loss of normal root cap structure and plant graviresponse while microgravity does not.

manned↗
NASA NTRS2006

Aerosol-Assisted Chemical Vapor Deposited Thin Films for Space Photovoltaics

Copper indium disulfide thin films were deposited via aerosol-assisted chemical vapor deposition using single source precursors. Processing and post-processing parameters were varied in order to modify morphology, stoichiometry, crystallography, electrical properties, and optical properties in order to optimize device-quality material. Growth at atmospheric pressure in a horizontal hot-wall reactor at 395 C yielded best device films. Placing the susceptor closer to the evaporation zone and flowing a more precursor-rich carrier gas through the reactor yielded shinier, smoother, denser-looking films. Growth of (112)-oriented films yielded more Cu-rich films with fewer secondary phases than growth of (204)/(220)-oriented films. Post-deposition sulfur-vapor annealing enhanced stoichiometry and crystallinity of the films. Photoluminescence studies revealed four major emission bands (1.45, 1.43, 1.37, and 1.32 eV) and a broad band associated with deep defects. The highest device efficiency for an aerosol-assisted chemical vapor deposited cell was 1.03 percent.

Hepp, Aloysius F.↗
DOE OSTI2020

Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation

Predicting and understanding the chemical bond is one of the major challenges of computational quantum chemistry. Kohn–Sham density functional theory (KS-DFT) is the most common method, but approximate density functionals may not be able to describe systems where multiple electronic configurations are equally important. Multiconfigurational wave functions, on the other hand, can provide a detailed understanding of the electronic structures and chemical bonds of such systems. In the complete active space self-consistent field (CASSCF) method, one performs a full configuration interaction calculation in an active space consisting of active electrons and active orbitals. However, CASSCF and its variants require the selection of these active spaces. This choice is not black box; it requires significant experience and testing by the user, and thus active space methods are not considered particularly user-friendly and are employed only by a minority of quantum chemists. Our goal is to popularize these methods by making it easier to make good active space choices. Here, we present a machine learning protocol that performs an automated selection of active spaces for chemical bond dissociation calculations of main group diatomic molecules. The protocol shows high prediction performance for a given target system as long as a properly correlated system is chosen for training. Good active spaces are correctly predicted with a considerably better success rate than random guess (larger than 80% precision for most systems studied). Our automated machine learning protocol shows that a “black-box” mode is possible for facilitating and accelerating the large-scale calculations on multireference systems where single-reference methods such as KS-DFT cannot be applied.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

A co-kurtosis PCA based dimensionality reduction with nonlinear reconstruction using neural networks

For turbulent reacting flow systems, identification of low-dimensional representations of the thermo-chemical state space is vitally important, primarily to significantly reduce the computational cost of device-scale simulations. Principal component analysis (PCA), and its variants, are a widely employed class of methods. Recently, an alternative technique that focuses on higher-order statistical interactions, co-kurtosis PCA (CoK-PCA), has been shown to effectively provide a low-dimensional representation by capturing the stiff chemical dynamics associated with spatiotemporally localized reaction zones. While its effectiveness has only been demonstrated based on a priori analyses with linear reconstruction, in this work, we employ nonlinear techniques to reconstruct the full thermo-chemical state and evaluate the efficacy of CoK-PCA compared to PCA. Specifically, we combine a CoK-PCA-/PCA-based dimensionality reduction (encoding) with an artificial neural network (ANN) based reconstruction (decoding) and examine, a priori, the reconstruction errors of the thermo-chemical state. In addition, we evaluate the errors in species production rates and heat release rates, which are nonlinear functions of the reconstructed state, as a measure of the overall accuracy of the dimensionality reduction technique. We employ four datasets to assess CoK-PCA/PCA coupled with ANN-based reconstruction: zero-dimensional (homogeneous) reactor for autoignition of an ethylene/air mixture that has conventional single-stage ignition kinetics, a dimethyl ether (DME)/air mixture which has two-stage (low and high temperature) ignition kinetics, a one-dimensional freely propagating premixed ethylene/air laminar flame, and a two-dimensional dataset representing turbulent autoignition of ethanol in a homogeneous charge compression ignition (HCCI) engine. Finally, results from the analyses demonstrate the robustness of the CoK-PCA based low-dimensional manifold with ANN reconstruction in accurately capturing the data, specifically from the reaction zones.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗