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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2021

Lithium and sodium superionic conductors

Presented are new, earth-abundant lithium superionic conductors, Li3Y(PS4)2 and L15PS4Cl2, that emerged from a comprehensive screening of the Li—P—S and Li—M—P—S chemical spaces. Both candidates are derived from the relatively unexplored quaternary silver thiophosphates. One key enabler of this discovery is the development of a first-of-its-kind high-throughput first principles screening approach that can exclude candidates unlikely to satisfy the stringent Li+ conductivity requirements using a minimum of computational resources. Both candidates are predicted to be synthesizable, and are electronically insulating. Systems and methods according to present principles enable new, all-solid-state rechargeable lithium-ion batteries.

Zhu, Zhuoying↗
DOE OSTI2023

Lithium and sodium superionic conductors

Presented are new, earth-abundant lithium superionic conductors, Li 3 Y(PS 4 ) 2 and Li 5 PS 4 Cl 2 , that emerged from a comprehensive screening of the Li—P—S and Li-M-P—S chemical spaces. Both candidates are derived from the relatively unexplored quaternary silver thiophosphates. One key enabler of this discovery is the development of a first-of-its-kind high-throughput first principles screening approach that can exclude candidates unlikely to satisfy the stringent Li+ conductivity requirements using a minimum of computational resources. Both candidates are predicted to be synthesizable, and are electronically insulating. Systems and methods according to present principles enable new, all-solid-state rechargeable lithium-ion batteries.

Zhu, Zhuoying↗
DOE OSTI2023

Active Causal Machine Learning for Molecular Property Prediction

Predicting properties from molecular structures is paramount to design tasks in medicine, materials science, and environmental management. However, design rules derived from the structure-property relationships using correlative data-driven methods fail to elucidate underlying causal mechanisms controlling chemical phenomena. This preliminary work proposes a workflow to actively learn robust cause-effect relations between structural features and molecular property for a broad chemical space utilizing smaller subsets, entailing partial information.

Fox, Zach↗
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↗
DOE OSTI2021

Selectivity in Yttrium Manganese Oxide Synthesis via Local Chemical Potentials in Hyperdimensional Phase Space

In sharp contrast to molecular synthesis, materials synthesis is generally presumed to lack selectivity. The few known methods of designing selectivity in solid-state reactions have limited scope, such as topotactic reactions or strain stabilization. This contribution describes a general approach for searching large chemical spaces to identify selective reactions. This novel approach explains the ability of a nominally “innocent” Na 2 CO 3 precursor to enable the metathesis synthesis of single-phase Y 2 Mn 2 O 7 : an outcome that was previously only accomplished at extreme pressures and which cannot be achieved with closely related precursors of Li 2 CO 3 and K 2 CO 3 under identical conditions. By calculating the required change in chemical potential across all possible reactant-product interfaces in an expanded chemical space including Y, Mn, O, alkali metals, and halogens, using thermodynamic parameters obtained from density functional theory calculations, we identify reactions that minimize the thermodynamic competition from intermediates. In this manner, only the Na-based intermediates minimize the distance in the hyperdimensional chemical potential space to Y 2 Mn 2 O 7 , thus providing selective access to a phase which was previously thought to be metastable. Experimental evidence validating this mechanism for pathway-dependent selectivity is provided by intermediates identified from in situ synchrotron-based crystallographic analysis. Finally, this approach of calculating chemical potential distances in hyperdimensional compositional spaces provides a general method for designing selective solid-state syntheses that will be useful for gaining access to metastable phases and for identifying reaction pathways that can reduce the synthesis temperature, and cost, of technological materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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↗
DOE OSTI2020

The chemical compositions of accreted and in situ galactic globular clusters according to SDSS/APOGEE

ABSTRACT Studies of the kinematics and chemical compositions of Galactic globular clusters (GCs) enable the reconstruction of the history of star formation, chemical evolution, and mass assembly of the Galaxy. Using the latest data release (DR16) of the SDSS/APOGEE survey, we identify 3090 stars associated with 46 GCs. Using a previously defined kinematic association, we break the sample down into eight separate groups and examine how the kinematics-based classification maps into chemical composition space, considering only α (mostly Si and Mg) elements and Fe. Our results show that (i) the loci of both in situ and accreted subgroups in chemical space match those of their field counterparts; (ii) GCs from different individual accreted subgroups occupy the same locus in chemical space. This could either mean that they share a similar origin or that they are associated with distinct satellites which underwent similar chemical enrichment histories; (iii) the chemical compositions of the GCs associated with the low orbital energy subgroup defined by Massari and collaborators is broadly consistent with an in situ origin. However, at the low-metallicity end, the distinction between accreted and in situ populations is blurred; (iv) regarding the status of GCs whose origin is ambiguous, we conclude the following: the position in Si–Fe plane suggests an in situ origin for Liller 1 and a likely accreted origin for NGC 5904 and NGC 6388. The case of NGC 288 is unclear, as its orbital properties suggest an accretion origin, its chemical composition suggests it may have formed in situ.

Horta, Danny↗
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.↗
DOE OSTI2020

A Look Inside the Black Box: Using graph-theoretical descriptors to interpret a Continuous-Filter Convolutional Neural Network (CF-CNN) trained on the global and local minimum energy structures of neutral water clusters

A Continuous Filter Convolutional Neural Network (CF-CNN) was trained to predict the potential energy of water cluster networks \ce{(H2O)_{\textit{N}}}, \textit{N}=10--30, corresponding to local minima lying within 5 kcal/mol from the putative minima taken from a newly published database containing over 5 million unique networks. The chemical sampling space of the database was characterized using chemical descriptors derived from graph theory, which led to the identification of important trends in the topology, connectivity, polygon structures associated with the various networks as a function of cluster size. The resulting graphs are available alongside the original database at \url{https://sites.uw.edu/wdbase/}. The CF-CNN trained on a subset of 500,000 networks for (\textit{N}=10, 30) yielded a mean absolute error of 0.002$\pm$0.002 kcal/mol per water molecule, giving the trained CF-CNN the highest accuracy of any neural network-based surrogate model to date. In addition, clusters of sizes not included in the training set exhibited errors of the same magnitude, indicating that the CF-CNN ptotocol is general enough to accurately predict energies of networks for both smaller and larger sizes than those used during training. The graph-theoretical descriptors were developed in order to analyze the properties of the full database and interpret the predictive power of the CF-CNN. Using topology measures, such as the Wiener index and the average shortest path length along with two similarity measures, we showed that all networks from the test set were within the range of the ones from the training set, suggesting that the training set covered the chemical space of interest quite well. Our graph analysis suggests that the mean degree and number of polygons for networks with larger errors tend to lie further from the mean than those with lower errors. The generality of the used CF-CNN was thus demonstrated, while the use of the graph-theoretical descriptors assisted in interpreting the predicted results.

Bilbrey, Jenna A.↗
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.↗