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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 55 records · Page 3
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NASA NTRS2021

Identifying Molecules as Biosignatures with Assembly Theory and Mass Spectrometry

The search for evidence of life elsewhere in the universe is hard because it is not obvious what signatures are unique to life. Here we postulate that complex molecules found in high abundance are universal biosignatures as they cannot form by chance. To explore this, we developed the first intrinsic measure of molecular complexity that can be experimentally determined, and this is based upon a new approach called assembly theory which gives the molecular assembly number (MA) of a given molecule. MA allows us to compare the intrinsic complexity of molecules using the minimum number of steps required to construct the molecular graph starting from basic objects, and a probabilistic model shows how the probability of any given molecule forming randomly drops dramatically as its MA increases. To map chemical space, we calculated the MA of ca. 2.5 million compounds, and collected data which showed the complexity of a molecule can be experimentally determined by using three independent techniques including infra-red spectroscopy, nuclear magnetic resonance, and by fragmentation in a mass spectrometer, and this data has an excellent corelation with the values predicted from our assembly theory. We then set out to see if this approach could allow us to identify molecular biosignatures with a set of diverse samples from around the world, outer space, and the laboratory including prebiotic soups. The results show that there is a non-living to living threshold in MA complexity and the higher the MA for a given molecule, the more likely that it had to be produced by a biological process. This work demonstrates it is possible to use this approach to build a life detection instrument that could be deployed on missions to extra-terrestrial locations to detect biosignatures, map the extent of life on Earth, and be used as a molecular complexity scale to quantify the constraints needed to direct prebiotically plausible processes in the laboratory. Such an approach is vital if we are going to find new life elsewhere in the universe or create de-novo life in the lab.

Stuart M Marshall↗
NASA NTRSDate not supplied

Machine Learning Approaches for Rare-Earth Silicate Environmental Barrier Coating Thermochemical and Thermomechanical Property Predictions

Environmental barrier coatings (EBCs) are a necessary enabling technology for the transition from superalloys to silicon carbide (SiC) ceramic matrix composites (CMCs) in gas turbine engines for increased efficiency and decreased fuel costs. SiC-based CMCs are prone to oxidation-based degradation in the engine hot section, and rare-earth (RE) silicates are promising candidates for EBCs due to their close thermal expansion match to the composite substrate and oxidation resistance. However, the design of EBCs is hindered by the large chemical space of candidate materials and the difficulty in obtaining material properties for engineering optimization. This is especially difficult as research continues into mixed-cation or “high-entropy” RE silicates. First-principles computational methods such as density functional theory (DFT) are highly effective at calculating material properties to guide coating design but are limited by their computational cost. Atomistic simulations have the potential to both accelerate property calculations and expand the properties able to be calculated due to their lower computational compared to DFT. However, they require interatomic potentials (IAPs) specific to the material system of interest, and, to our knowledge, there are no suitable IAPs for RE silicates. Machine learning (ML) is a promising technique to accelerate material property predictions indirectly by generating IAPs for atomistic simulations or via direct prediction. In this work, we present two ML approaches to accelerate the calculation of RE silicate properties relevant to EBC design: 1) a ML-derived interatomic potential (IAP) for atomistic simulations of yttrium disilicate (Y2Si2O7) from DFT training data, and 2) a neural network (NN) model to directly predict thermochemical properties of RE silicates and oxides directly from easily obtainable unit cell parameters. Classical MD simulations using the IAP yield lattice properties and bond lengths in good agreement with both DFT and experimental results from x-ray diffraction. Thermodynamic properties calculated using the finite-displacement phonon method and quasi-harmonic approximation were orders of magnitude faster than DFT with good agreement to the DFT results. The IAP was also used to calculate properties such as coefficient of thermal expansion (CTE) that require large simulation supercells and are therefore difficult with DFT. The IAP correctly predicted the anisotropic nature of the CTE in three different phases of Y2Si2O7. The NN model predicts constant pressure heat capacity, Cp, orders of magnitude faster than DFT calculations, which can enable its use as a surrogate model for multiscale simulations. The two methods presented in this work demonstrate the utility of ML for accelerating the prediction of RE silicate properties, which can in turn accelerate EBC design and optimization.

machine learning↗
NASA NTRSDate not supplied

The Potential Effects of Radiation-Caused Tank Heating in Nuclear Thermal Propulsion Applications

Nuclear thermal propulsion (NTP) vehicles provide a strong option for crewed missions to Mars. Such designs which use cryogenic hydrogen as the stored propellant can provide ISP in excess of 850 seconds and thrusts capable of accelerations roughly comparable to typical in-space chemical engines thus enabling shorter travel times and wider mission abort windows. Given those capabilities, NTP engines provide a viable option for travel to Mars. Nonetheless, complications arise as the nuclear reactions in the reactor core not only heat the propellant but also emit radiation which affects components across the vehicle. In particular, the radiation which reaches the propellant tanks can heat the stored cryogenic propellant, altering the temperature of the propellant as it leaves the tank headed to the turbopump. Determining whether that tank heating causes significant heating of the outflowing propellant serves as an important question for any NTP vehicle design. Results show that warm propellant can cause buoyancy-driven fluid motion within the tank and ultimately can be drawn into the outflow from the tank, and thus must be accounted for in analysis and design of NTP vehicles.

Kalen E Braman↗
NASA NTRSDate not supplied

The Potential Effects of Radiation-Caused Tank Heating in Nuclear Thermal Propulsion Applications

Nuclear thermal propulsion (NTP) vehicles provide a strong option for crewed missions to Mars. Such designs which use cryogenic hydrogen as the stored propellant can provide ISP in excess of 850 seconds and thrusts capable of accelerations roughly comparable to typical in-space chemical engines thus enabling shorter travel times and wider mission abort windows. Given those capabilities, NTP engines provide a viable option for travel to Mars. Nonetheless, complications arise as the nuclear reactions in the reactor core not only heat the propellant but also emit radiation which affects components across the vehicle. In particular, the radiation which reaches the propellant tanks can heat the stored cryogenic propellant, altering the temperature of the propellant as it leaves the tank headed to the turbopump. Determining whether that tank heating causes significant heating of the outflowing propellant serves as an important question for any NTP vehicle design. Results show that warm propellant can cause buoyancy-driven fluid motion within the tank and ultimately can be drawn into the outflow from the tank, and thus must be accounted for in analysis and design of NTP vehicles.

Kalen Braman↗
NASA NTRS2001

Chemical Engineering in Space

The state of the art in launch systems uses chemical propulsion systems, primarily liquid hydrogen and liquid oxygen, to provide the energy necessary to achieve orbit and escape the bonds of Earth's gravity. In the future there may be other means available; however, currently few of these alternatives can compare to the speed or the ease of use provided by cryogenic chemical propulsion agents. Cryogenics, the science and art of producing cold operating conditions, has become increasingly important to our ability to travel within our solar system. The production and transport of cryogenic fuels as well as the long-term storage of these fluids are necessary for mankind to travel within our solar system. It is with great care and at a significant cost that gaseous compounds such as hydrogen and oxygen are liquified and become dense enough to use for rocket fuel. As our explorations move farther away from Earth, we need to address how to produce the necessary fuels to make a complete round-trip. The cost and the size of any expedition to another celestial body are extreme. If we are constrained by the need to take everything necessary (fuel, life support, etc.) for our survival and return, we greatly increase the risk of being able to go. As with the early explorers on Earth, we will need to harvest much of our energy and our life support from the celestial bodies. The in situ production of these energy sources is paramount to success. Due to the current propulsion system designs, the in-situ processes will require liquefaction and the application of cryogenics. The challenge we face for the near future is to increase our understanding of cryogenic long-term storage and off-world production of cryogenic fluids. We must do this all within the boundaries of very restricted size, weight, and robustness parameters so that we may launch these apparatus from Earth and utilize them elsewhere. Miniaturization, efficiency, and physically robust systems will all play a part in making space exploration possible; however, it is cryogenics that will enable all of this to occur.

Lobmeyer, Dennis A.↗
NASA NTRS1979

The role of chemical engineering in space manufacturing

A survey of factors involved in space manufacturing is presented. It is shown that it will be more economical to obtain the necessary raw materials from the moon than from earth due to earth's greater gravity and atmosphere. Discussion covers what resources can be mined and recovered from the moon and what ranges of industrial feedstock can be provided from lunar materials, noting that metallurgy will be different in space due to the lack of key elements such as H, C, Na, Cl, etc. Also covered are chemical plant design, space environmental factors such as vacuum and zero gravity, recycling requirments, reagent and equipment mass, and unit operations such as materials handling and phase separation. It is concluded that a pilot plant in space could be an economic boon to mankind.

Waldron, R. D.↗
NASA NTRS1990

Project LOCOST: Laser or Chemical Hybrid Orbital Space Transport

A potential mission in the late 1990s is the servicing of spacecraft assets located in GEO. The Geosynchronous Operations Support Center (GeoShack) will be supported by a space transfer vehicle based at the Space Station (SS). The vehicle will transport cargo between the SS and the GeoShack. A proposed unmanned, laser or chemical hybrid orbital space transfer vehicle (LOCOST) can be used to efficiently transfer cargo between the two orbits. A preliminary design shows that an unmanned, laser/chemical hybrid vehicle results in the fuel savings needed while still providing fast trip times. The LOCOST vehicle receives a 12 MW laser beam from one Earth orbiting, solar pumped, iodide Laser Power Station (LPS). Two Energy Relay Units (ERU) provide laser beam support during periods of line-of-sight blockage by the Earth. The baseline mission specifies a 13 day round trip transfer time. The ship's configuration consist of an optical train, one hydrogen laser engine, two chemical engines, a 18 m by 29 m box truss, a mission-flexible payload module, and propellant tanks. Overall vehicle dry mass is 8,000 kg. Outbound cargo mass is 20,000 kg, and inbound cargo mass is 6,000 kg. The baseline mission needs 93,000 kg of propellants to complete the scenario. Fully fueled, outbound mission mass is 121,000 kg. A regeneratively cooled, single plasma, laser engine design producing a maximum of 768 N of thrust is utilized along with two traditional chemical engines. The payload module is designed to hold 40,000 kg of cargo, though the baseline mission specifies less. A proposed design of a laser/chemical hybrid vehicle provides a trip time and propellant efficient means to transport cargo from the SS to a GeoShack. Its unique, hybrid propulsion system provides safety through redundancy, allows baseline missions to be efficiently executed, while still allowing for the possibility of larger cargo transfers.

Dixon, Alan↗
NASA NTRS2002

The effect of microgravity and space flight on the chemical senses

The effect of space flight and microgravity on the chemical senses is reviewed. Skylab-4 and Soyuz 30-31 studies revealed changes in taste thresholds while no effect was found in a Canadian investigation (41-G) and conflicting results were obtained on another Soyuz mission. Two simulated microgravity studies found no effect on taste or smell sensitivity; while 5 other studies found an effect. Microgravity induces physiological changes including an upward shift of body fluids toward the head, which may lead to an attenuation of the olfactory component in the flavor of foods. Chemosensory changes may also relate to space sickness, Shuttle atmosphere, stress, radiation, and psychological factors.

Review, Academic↗
NASA NTRS1984

Opportunities for the chemical industry in space, part 1

The chemical/petrochemical industry devotes a large percentage of its gross income to research and development, with much of its R and D of a long-term nature. As the chemical industry is examined as a candidate for space investigations, it is readily apparent that research and development in the space environment may lead to attractive commercial opportunities. The advantages of low gravity manufacturing, with a particular emphasis on chemical catalysts, are presented herein specifically for the chemical industry. Research from the Skylab program and Apollo Soyuz test project is reviewed, including acoustic levitation, crystal growth, and container less melts. Space processing of composite materials, alloys, and coatings is also discussed.

Source record↗
NASA NTRS1982

Basic physical and chemical processes in space radiation effects on polymers

The effects of space ionizing radiation on polymers is investigated in terms of operative physical and chemical processes. A useful model of charged particle impact with a polymer was designed. Principle paths of molecular relaxation were identified and energy handling processes were considered. The focus of the study was on energy absorption and the immediately following events. Further study of the radiation degradation of polymers is suggested.

Kamaratos, E.↗
NASA NTRS2011

Space Weathering Effects in Lunar Soils: The Roles of Surface Exposure Time and Bulk Chemical Composition

Space weathering effects on lunar soil grains result from both radiation-damaged and deposited layers on grain surfaces. Typically, solar wind irradiation forms an amorphous layer on regolith silicate grains, and induces the formation of surficial metallic Fe in Fe-bearing minerals [1,2]. Impacts into the lunar regolith generate high temperature melts and vapor. The vapor component is largely deposited on the surfaces of lunar soil grains [3] as is a fraction of the melt [4, this work]. Both the vapor-deposits and the deposited melt typically contain nanophase Fe metal particles (npFe0) as abundant inclusions. The development of these rims and the abundance of the npFe0 in lunar regolith, and thus the optical properties, vary with the soil mineralogy and the length of time the soil grains have been exposed to space weathering effects [5]. In this study, we used the density of solar flare particle tracks in soil grains to estimate exposure times for individual grains and then perform nanometer-scale characterization of the rims using transmission electron microscopy (TEM). The work involved study of lunar soil samples with different mineralogy (mare vs. highland) and different exposure times (mature vs. immature).

Zhang, Shouliang↗
NASA NTRS2021

Martian Moons and Space Transportation Using Chemical and Electric Propulsion Options

Using chemical and nuclear electric propulsion for the exploration of the Martian moons will be investigated. Both oxygen/hydrogen chemical propulsion and nuclear electric propulsion with 500 kilowatt electric (kWe) to 10 megawatt electric (MWe) reactors will be assessed. The initial masses, propellant masses, and trip times for a variety of space vehicle payload masses will be compared. For high energy orbital transfer, the nuclear electric propulsion vehicles required a small fraction of the propellant mass over oxygen/hydrogen orbital transfer vehicles (OTVs). The moons, Phobos and Deimos, may hold resources for refueling future space vehicles. In-situ resource utilization (ISRU) can be a powerful method of reducing Earth dependence on space vehicle propellants, liquid water, and breathing gases. Historical studies have identified the potential of water in carbonaceous chondrites on the moons. The moon-derived propellants OTVs that move payloads between the moons and to other important operational Mars orbits. Also, the propellants have been suggested to support reusable Mars landers. To extract the water, the mined mass, its volume and the mining time were estimated. The water mass fraction may be as low as 2x10 −4 . Very large masses were needed to be extracted for up to 100 MT of water.

In-situ resource utilization↗
NASA NTRS1986

Space observations of chemically peculiar and related normal stars

Progress in the spectroscopic study of CP stars and related sharp-lined normal stars from the IUE is briefly reviewed as a preamble to a discussion of the potential for research with the Hubble Space Telescope (HST). The substantial gains in spectral resolution, signal-to-noise ratio and photometric accuracy that will be realized with the High Resolution Spectrograph on the HST will dramatically increase the ability to disentangle the complex ultraviolet spectra of these stars and to carry out accurate quantitative analyses.

Leckrone, David S.↗
NASA NTRS1977

Three model space experiments on chemical reactions

Three investigations conducted aboard Skylab IV and Apollo-Soyuz involved phenomena that are of interest to the biochemistry community. The formaldehyde clock reaction and the equilibrium shift reaction experiments conducted aboard Apollo Soyuz demonstrate the effect of low-g foams or air/liquid dispersions on reaction rate and chemical equilibrium. The electrodeposition reaction experiment conducted aboard Skylab IV demonstrate the effect of a low-g environment on an electrochemical displacement reaction. The implications of the three space experiments for various applications are considered.

Grodzka, P.↗
NASA NTRS2000

Two-Phase Flow in Packed Columns and Generation of Bubbly Suspensions for Chemical Processing in Space

For long-duration space missions, the life support and In-Situ Resource Utilization (ISRU) systems necessary to lower the mass and volume of consumables carried from Earth will require more sophisticated chemical processing technologies involving gas-liquid two-phase flows. This paper discusses some preliminary two-phase flow work in packed columns and generation of bubbly suspensions, two types of flow systems that can exist in a number of chemical processing devices. The experimental hardware for a co-current flow, packed column operated in two ground-based low gravity facilities (two-second drop tower and KC- 135 low-gravity aircraft) is described. The preliminary results of this experimental work are discussed. The flow regimes observed and the conditions under which these flow regimes occur are compared with the available co-current packed column experimental work performed in normal gravity. For bubbly suspensions, the experimental hardware for generation of uniformly sized bubbles in Couette flow in microgravity conditions is described. Experimental work was performed on a number of bubbler designs, and the capillary bubble tube was found to produce the most consistent size bubbles. Low air flow rates and low Couette flow produce consistent 2-3 mm bubbles, the size of interest for the "Behavior of Rapidly Sheared Bubbly Suspension" flight experiment. Finally the mass transfer implications of these two-phase flows is qualitatively discussed.

Motil, Brian J.↗
NASA NTRS2009

Carbon Nanotube Based Chemical Sensors for Space and Terrestrial Applications

A nanosensor technology has been developed using nanostructures, such as single walled carbon nanotubes (SWNTs), on a pair of interdigitated electrodes (IDE) processed with a silicon-based microfabrication and micromachining technique. The IDE fingers were fabricated using photolithography and thin film metallization techniques. Both in-situ growth of nanostructure materials and casting of the nanostructure dispersions were used to make chemical sensing devices. These sensors have been exposed to nitrogen dioxide, acetone, benzene, nitrotoluene, chlorine, and ammonia in the concentration range of ppm to ppb at room temperature. The electronic molecular sensing of carbon nanotubes in our sensor platform can be understood by intra- and inter-tube electron modulation in terms of charge transfer mechanisms. As a result of the charge transfer, the conductance of p-type or hole-richer SWNTs in air will change. Due to the large surface area, low surface energy barrier and high thermal and mechanical stability, nanostructured chemical sensors potentially can offer higher sensitivity, lower power consumption and better robustness than the state-of-the-art systems, which make them more attractive for defense and space applications. Combined with MEMS technology, light weight and compact size sensors can be made in wafer scale with low cost. Additionally, a wireless capability of such a sensor chip can be used for networked mobile and fixed-site detection and warning systems for military bases, facilities and battlefield areas.

Li, Jing↗
NASA NTRS1984

Chemical evolution in space

Most of the complex molecules in interstellar space ar probably contained in small, frozen interstellar dust grains which are about as old as the earth and have been photochemically converted into large organic molecules. These molecules' maximum molecular weight is limited only by the approximately 0.1-micron grain size. Their evolution leads from cool, evolved stellar atmospheres' formation of seedlings to destruction through incorporation into the material of new stars. Organic dust constitutes about 0.1 percent of the total mass of the Milky Way, far outweighing any estimates of total planetary mass in the Galaxy. Because comets may be virtually pure, aggregated interstellar dust, they offer a source of interstellar organic material for detailed study.

Greenberg, J. M.↗