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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Unraveling the Hsp70-ROS-autophagy axis in pentachlorophenol-challenged lung and liver epithelial cells

Pentachlorophenol (PCP) was extensively utilized as an organochlorine pesticide and wood preservative in the United States from the 1930s until the Environmental Protection Agency (EPA) imposed restrictions due to concerns about its toxicity and potential carcinogenic properties. Although it is no longer widely used, PCP remains a concern due to its environmental persistence and potential for long-term health effects. Significant occupational and environmental exposures have likely occurred, with the health and economic costs of PCP exposure potentially being substantial given its known toxicity. Notably, PCP exhibits rapid absorption through both the skin and respiratory system and has been shown to cause hepatotoxicity, developmental toxicity, immunotoxicity, irritation, and carcinogenicity in laboratory animal studies. PCP exposure induces oxidative stress, a key mechanism underlying its inflammatory and toxic effects, which can activate cellular stress responses including upregulation of heat shock protein 70 (Hsp70). Previous studies in lung and liver epithelial cells have shown that Hsp70 and oxidative stress play pivotal roles in triggering autophagy. This study establishes the critical role of the Hsp70-reactive oxygen species (ROS)-autophagy axis in regulating cellular responses to PCP exposure in human alveolar (A549) and liver carcinoma (HepG2) epithelial cells. Our research elucidated the molecular mechanisms underlying PCP's cellular effects, demonstrating that its exposure resulted in increased expression of autophagy-related proteins (Beclin-1, LC3B, ATG12, and ATG16), subunits of NADPH oxidase (NCF-1, NCF-2, NOX2, and Rac), and antioxidant proteins (SOD and GPx) in both lung and liver cell types. Notably, PCP augmented the interaction between Hsp70 and the autophagy regulator Beclin-1. Pretreatment with the ROS inhibitor N-acetylcysteine or Hsp70 knockdown markedly reversed PCP-induced responses. Our in-silico protein–protein docking analysis and molecular dynamics simulation studies revealed enhanced interactions and/or stable confirmations maintained throughout the simulations for TLR4-Hsp70 and Hsp70-Beclin-1 complexes in the presence of PCP. These findings provide a strong foundation for future studies, employing in vivo experimental models and human populations to identify promising targets for PCP-induced toxicity and cellular injury. As a result, these findings may have far-reaching implications for public health and environmental policy, ultimately leading to the identification of biomarkers and the development of more effective interventions for environmentally induced toxicity and diseases.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2017

Mars Molniya Orbit Atmospheric Resource Mining

This NASA Innovative Advanced Concepts (NIAC) Phase I study examined the revolutionary concept of performing resource collection and utilization during Mars orbital operations in order to enable the landing of large payloads. An exploration architecture was developed, out of which several mission alternatives were developed. Concepts of operations were then developed for each mission alternative, followed by concepts for spacecraft systems, which were traded to assess their feasibility. A novel architecture using Mars Molniya Orbit Atmospheric Resource Mining is feasible to enable an Earth-independent and pioneering, permanent human presence on Mars by providing a reusable, single-stage-to-orbit transportation system. This will allow cargo and crew to be routinely delivered to and from Mars without transporting propellants from Earth.In Phase I, our study explored how electrical energy could be harnessed from the kinetic energy of the incoming spacecraft and then be used to produce the oxygen necessary for landing. This concept of operations is revolutionary in that its focus is on using in situ resources in complementary and varied forms: the upper atmosphere of Mars is used for aerocapture, which is followed by aerobraking, the kinetic energy of the spacecraft is transformed into usable electrical energy during aerobraking, and the atmospheric composition is the source of oxidizer for a landing under supersonic retropropulsion. This NASA Innovative Advanced Concepts (NIAC) Phase I study explores a novel mission architecture to establish routine, Earth-independent transfer of large mass payloads between Earth and the Mars surface and back to Mars orbit. The first stage of routine mission operations involves an atmospheric resource mining aerobraking campaign following aerocapture into a highly elliptical Mars orbit. During each pass through the atmosphere, the vehicle ingests the atmospheric oxidizer and stores it onboard, using solid oxide electrolysis to convert the primarily CO2 atmosphere into usable O2 for propellant. Power is made available through the use of magnetohydrodynamic energy generation, which converts the motion of the plasma in the shock later into usable electrical energy. Upon termination of the aerobraking sequence, the descent vehicle detaches from the orbit stack, deorbits, and executes the entry, descent, and landing sequence. Hypersonic deceleration is achieved via a deployable heat shield to lower the vehicle ballistic coefficient, and supersonic and subsonic deceleration are achieved via retropropulsion. Mars surface operations involve resource mining of the Martian regolith to produce CH4 and O2 propellant to be used for the subsequent MDAV ascent back to high Mars orbit (HMO) providing an apoapsis raise maneuver to initialize the aerobraking sequence, in addition to providing fuel from the Mars surface for EDL propulsive descent. The Resource Collector Vehicle (RCV), which is used for the orbital mining operations, is raised back to HMO via onboard deployable augmented solar electric propulsion. Concepts of operations were developed for each mission alternative, to evaluate between them and assess feasibility.

Mining↗
NASA NTRSDate not supplied

Uranus Probe Entry and Descent Mission Concept

Introduction: Uranus was identified as the third highest priority flagship mission in the 2012-2022 Planetary Science Decadal Survey. This latest concept study was requested by the Decadal Survey panel to determine NASA’s planetary science priorities from 2022-2032. This study focused on the probe’s entry and descent aspects and associated trades for viable trajectory options. Uranus Mission and Descent Probe: The proposed Uranus Orbiter and Probe (UOP) Flagship mission will investigate Uranus and its surrounding moons using an orbiting spacecraft with a Uranus descent probe. Unlike previous studies the probe release will occur after orbit insertion allowing sufficient separation of critical events during the orbit insertion burn. The probe will be released at an altitude that allows one hour of in situ atmospheric readings that will be relayed to the orbiter. Afterwards the orbiter will transition to the moon tour phase of the mission. The configuration chosen for the entry aeroshell was a 45° sphere-cone. This shape has been used in the past in the Pioneer Venus Galileo missions. However, the nose radius considered in the present study differed from the values used in either of the previous configurations, primarily to reduce the heat flux at the stagnation point. A two-step approach was used in the development of flight trajectories for the chosen configuration. In the first step, the trajectory code POST2 was used to screen the thousands of entry states provided by interplanetary trajectory simulations, which were terminated at an altitude of 2000 km from the reference surface (1 bar) of Uranus. The screening criteria were: (i) optimization of the communication geometry between the entry probe and orbiter to ensure at least 1 hour of science measurements, (ii) peak stagnation point pressures to be less than six bar, (iii) peak heat fluxes to be less than 5 kW/cm2; the latter two constraints being the limits of ground-test capabilities of the arc jets at NASA Ames Research Center. The entry team investigated two trajectories that met the criteria above, a shallow entry (high heat load ~44 kJ/cm2) and a steeper entry (high heat rate ~1950 W/cm2). In the second step, the two bounding candidate entry states from the POST2 screening process were used in developing flight trajectories using TRAJ coupled with FIAT (a materials thermal response and sizing code) and a margins policy to determine a margined uniform thickness (hence mass) of the forward heatshield material based on the aerothermal environments at the stagnation point. Since the combination of TRAJ and FIAT size the TPS based on stagnation point environments only, flow field computations using DPLR were necessary to determine turbulent aerothermal environments on the conical flank, and the augmentation of these environments due to surface roughness. The environments at select locations on the forward heatshield were then used to size the thermal protection material, with the largest thickness value then used to estimate the mass. The newly developed woven thermal protection material –HEEET (Heatshield for Extreme Entry Environments Technology) –was considered for the forward heatshield and PICA (Phenolic-Impregnated Carbon Ablator) was considered for the backshell. These NASA-developed materials are at TRL 6 and TRL 9, respectively. Furthermore, two options were considered for the HEEET material: (i) a dual-layer option with a denser recession layer on top and an insulative layer underneath it, and (ii) a single layer option consisting of the insulative layer alone. Results: It is clear that probe entry states are feasible and the selected TPS options are able to perform in the predicted aerothermal environments thus enabling the mission to meet of the descent probe portion of this flagship mission

Entry Descent and Landing↗
NASA NTRS1999

Preliminary Assessment of JERS-1 SAR to Discriminating Boreal Landscape Features for the Boreal Forest Mapping Project

This paper presents an overview of the JERS-1 North American Boreal Forest Mapping Project and a preliminary assessment of JERS-1 SAR imagery for application to discriminating features applicable to boreal landscape processes. The present focus of the JERS-1 North American Boreal Forest Mapping Project is the production of continental scale wintertime and summertime SAR mosaics of the North American boreal forest for distribution to the science community. As part of this effort, JERS-1 imagery has been collected over much of Alaska and Canada during the 1997-98 winter and 1998 summer seasons. To complete the mosaics, these data will be augmented with data collected during previous years. These data will be made available to the scientific community via CD ROM containing these and similar data sets compiled from companion studies of Asia and Europe. Regional landscape classification with SAR is important for the baseline information it will provide about distribution of woodlands, positions of treeline, current forest biomass, distribution of wetlands, and extent of major rivercourses. As well as setting the stage for longer term change detection, comparisons across several years provides additional baseline information about short-term landscape change. Rapid changes, including those driven by fire, permafrost heat balance, flooding, and insect outbreaks can dominate boreal systems. We examine JERS-1 imagery covering selected sites in Alaska and Canada to assess quality and applicability to such relevant ecological and hydrological issues. The data are generally of high quality and illustrate many potential applications. A texture-based classification scheme is applied to selected regions to assess the applicability of these data for distinguishing distribution of such landcover types as wetland, tundra, woodland and forested landscapes.

McDonald, Kyle↗
NASA NTRSDate not supplied

NextSTEP Appendix A Modular ECLSS Effort Lessons Learned

NASA’s Artemis program provides the first steps for earth-independent exploration starting with crewed habitats in cislunar space and progressing toward crewed landings on the lunar surface that will prepare systems and crews for the exploration of Mars. The Next Space Technology for Exploration Partnerships (NextSTEP) is a public-private partnership model that facilitates commercial development of deep space exploration capabilities in support of more extensive human spaceflight missions in and beyond cislunar space. NASA issued the original NextSTEP Broad Agency Announcement (BAA) to U.S. industry in late 2014 and issued the second BAA (NextSTEP-2) in April 2016. The first appendix under NextSTEP-2, Appendix A, focused on developing deep space habitation concepts, engineering design and development, and risk reduction efforts leading to a habitation capability in cislunar space. NASA solicited concepts to develop and refine the evolvable, modular architecture, functional allocation options, standards, and common interfaces required to enable interoperability of the aggregate system to provide long duration deep space transit habitation, specifically enhancements and testing of deep space Environmental Control and Life Support Systems (ECLSS). Collins Aerospace, formerly UTC Aerospace Systems (UTAS), was awarded a Phase 1 and subsequent Phase 2 contract to “develop concepts that group ECLS systems into logical modules maximizing the use of common components and the development of unique methods and design concepts that support in-flight maintenance and repair for future exploration systems.” This paper summarizes the work accomplished under this effort, the lessons that can be applied to development of forthcoming habitation elements, and the gaps remaining to achieve a more resilient, maintainable, repairable and adaptable system capable of installation on a wide variety of habitat platforms. A primary accomplishment of this effort is the development and maturation of a modular palletization concept to enable standard rack interfaces, post-launch outfitting, and decoupling of structural supports that withstand launch environments from those needed for lower on-orbit loads in order to reduce installed mass and repurposing of panels within the habitat. In the course of the effort, Collins assessed numerous architecture trades, including the use of condensing and noncondensing heat exchangers, the ability of modular units to accommodate various habitat volumes and thermal loading, and the most appropriate order of and timing of delivery of regenerative ECLSS hardware to orbital habitats. In addition to the modularity of hardware elements, Collins developed software approaches for distributed/modular command, control, and communication systems and innovative Bayesian fault detection and isolation techniques. Finally, the effort explored advanced maintainability and supportability concepts including the definition of maintenance units (MUs) in place of the traditional Orbital Replacement Units (ORUs), increasing parts commonality to reduce the number and type of spare parts, the use of augmented reality to guide crews during maintenance and repair procedures, and how crews would prepare for and recover from long durations of habitat dormancy. Now that the NextSTEP Modular ECLSS effort has come to a close, it’s important to identify the lessons learned and where they can be leveraged to improve NASA’s broader program of ECLSS technology development and demonstration and ultimately how they can increase the performance of future surface and orbital habitats.

NextSTEP↗
NASA NTRSDate not supplied

NextSTEP Appendix A Modular ECLSS Effort Lessons Learned

NASA’s Artemis program provides the first steps for earth-independent exploration starting with crewed habitats in cislunar space and progressing toward crewed landings on the lunar surface that will prepare systems and crews for the exploration of Mars. The Next Space Technology for Exploration Partnerships (NextSTEP) is a public-private partnership model that facilitates commercial development of deep space exploration capabilities in support of more extensive human spaceflight missions in and beyond cislunar space. NASA issued the original NextSTEP Broad Agency Announcement (BAA) to U.S. industry in late 2014 and issued the second BAA (NextSTEP-2) in April 2016. The first appendix under NextSTEP-2, Appendix A, focused on developing deep space habitation concepts, engineering design and development, and risk reduction efforts leading to a habitation capability in cislunar space. NASA solicited concepts to develop and refine the evolvable, modular architecture, functional allocation options, standards, and common interfaces required to enable interoperability of the aggregate system to provide long duration deep space transit habitation, specifically enhancements and testing of deep space Environmental Control and Life Support Systems (ECLSS). Collins Aerospace, formerly UTC Aerospace Systems (UTAS), was awarded a Phase 1 and subsequent Phase 2 contract to “develop concepts that group ECLS systems into logical modules maximizing the use of common components and the development of unique methods and design concepts that support in-flight maintenance and repair for future exploration systems.” This paper summarizes the work accomplished under this effort, the lessons that can be applied to development of forthcoming habitation elements, and the gaps remaining to achieve a more resilient, maintainable, repairable and adaptable system capable of installation on a wide variety of habitat platforms. A primary accomplishment of this effort is the development and maturation of a modular palletization concept to enable standard rack interfaces, post-launch outfitting, and decoupling of structural supports that withstand launch environments from those needed for lower on-orbit loads in order to reduce installed mass and repurposing of panels within the habitat. In the course of the effort, Collins assessed numerous architecture trades, including the use of condensing and noncondensing heat exchangers, the ability of modular units to accommodate various habitat volumes and thermal loading, and the most appropriate order of and timing of delivery of regenerative ECLSS hardware to orbital habitats. In addition to the modularity of hardware elements, Collins developed software approaches for distributed/modular command, control, and communication systems and innovative Bayesian fault detection and isolation techniques. Finally, the effort explored advanced maintainability and supportability concepts including the definition of maintenance units (MUs) in place of the traditional Orbital Replacement Units (ORUs), increasing parts commonality to reduce the number and type of spare parts, the use of augmented reality to guide crews during maintenance and repair procedures, and how crews would prepare for and recover from long durations of habitat dormancy. Now that the NextSTEP Modular ECLSS effort has come to a close, it’s important to identify the lessons learned and where they can be leveraged to improve NASA’s broader program of ECLSS technology development and demonstration and ultimately how they can increase the performance of future surface and orbital habitats.

NextSTEP↗
NASA NTRS1991

Natural convection in binary gases due to horizontal thermal and solutal gradients

The influence of augmenting and opposing thermal and solutal buoyancy forces on natural convection of binary gases due to horizontal temperature and concentration gradients is examined through comparison of smoke flow visualization and measured temperature and concentration distributions with numerical predictions. The observed flow at the cold wall was unsteady for opposing body forces. The same basic flow structure was observed, but the unsteady flow intensifies as the opposing solutal buoyancy force increases as compared to the thermal buoyancy force. Comparison of predicted and measured temperatures and concentrations is fair overall, but the steady-state analytical model fails to predict the unsteady flow and heat and mass transport for opposing body forces.

Weaver, J. A.↗
NASA NTRS2010

Polar Lunar Regions: Exploiting Natural and Augmented Thermal Environments

In the polar regions of the Moon, some areas within craters are permanently shadowed from solar illumination and can drop to temperatures of 100 K or lower. These sites may serve as cold traps, capturing ice and other volatile compounds, possibly for eons. Interestingly, ice stored in these locations could potentially alter how lunar exploration is conducted. Within craters inside craters (double-shaded craters) that are shaded from thermal re-radiation and from solar illuminated regions, even colder regions should exist and, in many cases, temperatures in these regions never exceed 50 K. Working in these harsh environments with existing conventional systems, exploration or mining activities could be quite daunting and challenging. However, if the unique characteristics of these environments were exploited, the power, weight, and total mass that is required to be carried from the Earth to the Moon for lunar exploration and research would be substantially reduced. In theory, by minimizing the heat transfer between an object and the lunar surface, temperatures near absolute zero can be produced. In a single or double-shaded crater, if the object was isolated from the variety of thermal sources and was allowed to radiatively cool to space, the achievable temperature would be limited by the 3 K cosmic background and the anomalous solar wind that can strike the object being cooled. Our analysis shows that under many circumstances, with some simple thermal radiation shielding, it is possible to establish environments with temperatures of several degrees Kelvin.

Brannon, David↗
DOE OSTI2025

A Life Cycle Analysis Framework for Point Source Capture Systems

NETL studies the costs and benefits of PSC for electricity, industry, and mobile applications. Mobile point source capture (MPSC) and storage applied to freight modes captures emissions directly from exhaust. This poster presents a framework for conducting LCA of PSC systems applied to heavy-duty trucks, freight trains, and marine vessels. The framework defines a wheels-to-storage (gate-to-grave) boundary, including energy demands (electricity, heat, and cooling requirements), solvent use and cycling, onboard system components, carbon storage in a saline aquifer, and upstream manufacturing impacts for equipment, with a suggested functional unit of 1 tonne-km. Potential data sources for analysis include material, energy, and operational data from Oak Ridge National Laboratory, GREET (Greenhouse gases, Regulated Emissions, and Energy use in Technologies) model, and scientific literature. The suggested analytical approach includes comparison to publicly available business-as-usual systems without capture across all modes of transportation, sensitivity to composition of the capture solvent, and sensitivity to capture rate variation, all of which would support a wholistic PSC business case analysis. For future consideration, analysis can be augmented with consideration of different sources of electricity (e.g., nuclear), fuel substitution, deploying supportive infrastructure such as pipeline offloading points, and downstream applications like enhanced oil recovery (EOR).

life cycle analysis (LCA)↗
NASA NTRS2003

Multiphase flow and phase change in microgravity: Fundamental research and strategic research for exploration of space

NASA is preparing to undertake science-driven exploration missions. The NASA Exploration Team's vision is a cascade of stepping stones. The stepping-stone will build the technical capabilities needed for each step with multi-use technologies and capabilities. An Agency-wide technology investment and development program is necessary to implement the vision. The NASA Exploration Team has identified a number of areas where significant advances are needed to overcome all engineering and medical barriers to the expansion of human space exploration beyond low-Earth orbit. Closed-loop life support systems and advanced propulsion and power technologies are among the areas requiring significant advances from the current state-of-the-art. Studies conducted by the National Academy of Science's National Research Council and Workshops organized by NASA have shown that multiphase flow and phase change play a crucial role in many of these advanced technology concepts. Lack of understanding of multiphase flow, phase change, and interfacial phenomena in the microgravity environment has been a major hurdle. An understanding of multiphase flow and phase change in microgravity is, therefore, critical to advancing many technologies needed. Recognizing this, the Office of Biological and Physical Research (OBPR) has initiated a strategic research thrust to augment the ongoing fundamental research in fluid physics and transport phenomena discipline with research especially aimed at understanding key multiphase flow related issues in propulsion, power, thermal control, and closed-loop advanced life support systems. A plan for integrated theoretical and experimental research that has the highest probability of providing data, predictive tools, and models needed by the systems developers to incorporate highly promising multiphase-based technologies is currently in preparation. This plan is being developed with inputs from scientific community, NASA mission planners and industry personnel. The fundamental research in multiphase flow and phase change in microgravity is aimed at developing better mechanistic understanding of pool boiling and ascertaining the effects of gravity on heat transfer and the critical heat flux. Space flight experiments conducted in space have shown that nucleate pool boiling can be sustained under certain conditions in the microgravity environment. New space flight experiments are being developed to provide more quantitative information on pool boiling in microgravity. Ground-based investigations are also being conducted to develop mechanistic models for flow and pool boiling. An overview of the research plan and roadmap for the strategic research in multiphase flow and phase change as well as research findings from the ongoing program will be presented.

Singh, Bhim S.↗
NASA NTRS1988

Studies of extended planetary atmospheres

Spectroscopic observations of gases and plasmas in the Jupiter system, and related phenomena such as the recently-discovered sodium atmospheres of Mercury and the Moon were made. Cunningham's work on Jupiter spectroscopy is complete. The optical thickness of the ammonia cloud increases from about 3 in the morning to 6 at sunset. This effect seems to be due to the combination of internal heat flow and a convective region heated at the top, giving strong convection at night and none during the day. Near-simultaneous methane data are of poor quality, but are consistent with this picture. Schneider's work on the sodium environment of Io is also complete. The eclipse data extend to nearly 10 Io radii and nicely match the densities in the outer regions (to 100 Io radii) obtained from the intensity scattered in the D lines. Other data show very fast jets of sodium (up to 100 km/sec), frequently tilted out of the orbital plane. Researchers seem to be seeing neutralized ions, not from the torus itself but from atmospheric sodium ionized and then quickly neutralized. The data set on Mercurian sodium has been augmented, and supplemented by IR reflectance spectra.

Hunten, Donald M.↗
NASA NTRS2006

Stress, and pathogen response gene expression in modeled microgravity

Purpose: Immune suppression in microgravity has been well documented. With the advent of human exploration and long-term space travel, the immune system of the astronaut must be optimally maintained. It is important to investigate the expression patterns of cytokine genes, because they are directly related to immune response. Heat shock proteins (HSPs), also called stress proteins, are a group of proteins that are present in the cells of every life form. These proteins are induced when a cell responds to stressors such as heat, cold and oxygen deprivation. Microgravity is another stressor that may regulate HSPs. Heat shock proteins trigger immune response through activities that occur both inside the cell (intracellular) and outside the cell (extracellular). Knowledge about these two gene groups could lead to establishment of a blueprint of the immune response and adaptation-related genes in the microgravity environment. Methods: Human peripheral blood cells were cultured in 1g (T flask) and modeled microgravity (MMG, rotating-wall vessel) for 24 and 72 hours. Cell samples were collected and subjected to gene array analysis using the Affymetrix HG_U95 array. Data was collected and subjected to a two-way analysis of variance. The genes related to immune and stress responses were analyzed. Results and Conclusions: HSP70 was up-regulated by more than two fold in microgravity culture, while HSP90 was significantly down-regulated. HSP70 is not typically expressed in all kinds of cells, but it is expressed at high levels in stress conditions. HSP70 participates in translation, protein translocation, proteolysis and protein folding, suppressing aggregation and reactivating denatured proteins. Increased serum HSP70 levels correlate with a better outcome for heat-stroke or severe trauma patients. At the same time, elevated serum levels of HSP70 have been detected in patients with peripheral or renal vascular disease. HSP90 has been identified in the cytosol, nucleus and endoplasmic reticulum, and exists in many tissue types. HSP90 associates with actin filaments in certain conditions and aids cell motility. The down-regulation of HSP90 could lead to deleterious effects in the lymphocytes, thereby contributing to suppressed immune function in microgravity. Interleukins such as IL 1 alpha, IL11 receptor chain alpha, IL7R, and IL4R were significantly down regulated in modeled microgravity. Further analysis of the genes involved in immune response at the protein level may provide a basis for prophylactic and countermeasure strategies to augment the human immune system for space exploration.

Sundaresan, Alamelu↗
DOE OSTI2025

Machine-Learned Force Field for Molecular Dynamics Simulations of Nonequilibrium Ammonia Synthesis on Iron Catalysts

Ammonia (NH 3 ) is one of the most important industrial chemicals. The conventional NH 3 synthesis method-the Haber–Bosch process-converts atmospheric nitrogen (N 2 ) into NH 3 using H 2 with an iron (Fe) catalyst. However, this process requires high pressures (100–200 atm) and temperatures (700–800 K) near thermal equilibrium. Recently, Fe-based nanocatalysts have been reported to produce promising NH 3 yields under atmospheric pressures and temperature-modulated nonequilibrium conditions. Understanding the mechanism of nonequilibrium catalysis with programmed temperature variation could help to optimize this fully electrified and less energy-intensive process. Although reactive molecular dynamics (RMD) simulations can be a useful tool to model nonequilibrium catalytic processes, they require the development of accurate force fields (i.e., interatomic potentials). Here, we present a machine-learned (ML) force field within the Deep Potential MD (DPMD) framework, trained using periodic density functional theory (DFT) calculations, to model NH 3 synthesis on Fe catalysts with various surface adsorbates such as *N, *H, *N 2 , *H 2 , *NH, *NH 2 , and *NH 3 . Here, we generated the DFT data from static models of elementary reactions on the most stable (110) surface of body-centered cubic Fe, which then were augmented by data from constant number of particles–volume–temperature (NVT) DFT-MD trajectories at various temperatures. Finally, we utilized the fully optimized ML force field to investigate reaction dynamics at an Fe(110) surface at linearly increasing temperatures using NVT-DPMD simulations. Our simulations indicate that pulsed temperature ramping could prove favorable for NH3 synthesis. For example, we conducted ramping under multiple sets of conditions: (i) from 900 to 1200 K over periods of 0.1–0.3 ns for Fe surfaces precovered with N or NH along with H; and (ii) from 300 to 600 K over 0.1–0.3 ns for Fe surfaces precovered with NH 3 . While our simulations so far are limited to short time scales (very rapid heating), these observations shed light on the mechanism of the high NH 3 synthesis rate achieved in a novel temperature-modulated nonequilibrium catalytic reactor using pulsed heating and cooling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2000

Crew Factors in Flight Operations XII: A Survey of Sleep Quantity and Quality in On-Board Crew Rest Facilities

Many aircraft operated on long-haul commercial airline flights are equipped with on-board crew rest facilities, or bunks, to allow crewmembers to rest during the flight. The primary objectives of this study were to gather data on how the bunks were used, the quantity and quality of sleep obtained by flight crewmembers in the facilities, and the factors that affected their sleep. A retrospective survey comprising 54 questions of varied format addressed demographics, home sleep habits, and bunk sleep habits. Crewmembers from three airlines with long-haul fleets carrying augmented crews consisting of B747-100/200, B747-400, and MD-11 aircraft equipped with bunks returned a total of 1404 completed surveys (a 37% response rate). Crewmembers from the three carriers were comparable demographically, although one carrier had older, more experienced flight crewmembers. Each group, on average, rated themselves as "good" or "very good" sleepers at home, and all groups obtained about the same average amount of sleep each night. Most were able to sleep in the bunks, and about two thirds indicated that these rest opportunities benefited their subsequent flight deck alertness and performance. Comfort, environment, and physiology (e.g., being ready for sleep) were identified as factors that most promoted sleep. Factors cited as interfering with sleep included random noise, thoughts, heat, and the need to use the bathroom. These factors, in turn, suggest potential improvements to bunk facilities and their use. Ratings of the three aircraft types suggested differences among facilities. Bunks in the MD-11 were rated significantly better than either of the B747 types, and the B747-400 bunks received better ratings than did the older, B747-100/200 facilities.

Rosekind, Mark R.↗
NASA NTRS1982

NASA's laser-propulsion project

Design concepts, study results, and research directions toward development of CW laser heating of remotely flying spacecraft fuels to provide high impulse thrust are presented. The incident laser radiation would be absorbed by hydrogen through a medium of a laser-supported plasma. The laser energy could be furnished from an orbiting solar-powered laser platform and used to drive the engines of an orbital transfer vehicle (OTV) at costs less than with a chemical propulsion system. The OTV propulsion chamber would be reduced in size comparable to the volume addition of the incident laser energy absorber. The temperatures in the hydrogen-fueled system could reach 5000-15,000 K, and studies have been done to examine the feasibility of ion-electron recombination. Kinetic performance, temperature field, and power necessary to sustain a laser thrust augmented system modeling results are discussed, along with near-term 30 kW CO2 laser system tests.

Jones, L. W.↗
NASA NTRSDate not supplied

In Situ Geochronology for the Next Decade

Geochronology, or determination of absolute ages for geologic events, underpins many inquiries into the formation and evolution of planets and our Solar System. The bombardment chronology inferred from lunar samples has played a significant role in the development of models of early Solar System and extrasolar planet dynamics, as well as the timing of volatile, organic, and siderophile element delivery. Absolute ages of ancient and recent magmatic products provide strong constraints on the dynamics of magma oceans and crustal formation, and the longevity and evolution of interior heat engines and distinct mantle/crustal source regions. Absolute dating also relates habitability markers to the timescale of evolution of life on Earth. The number of geochronologically-significant terrains across the inner Solar System far exceeds our ability to conduct sample return to all of them. Therefore NASA has invested in the development of in situ dating techniques; several such instruments will be TRL 6 by the time of the next Decadal Survey. We formulated a set of medium-class (New Frontiers) mission concepts to three different locations (the Moon, Mars, and Vesta) with a notional payload consisting of the CDEX and KArLE instruments to measure radiometric ages, an imaging spectrometer and optical cameras to provide site geologic context and sample characterization, an ICP-MS to augment sample contextualization, and a sample acquisition and handling system. A Vesta hopper and single-site lunar and Mars landers to advance Solar System chronology fit into the New Frontiers cost cap in our study. Such missions would also enable a broad suite of geologic investigations such as basic geologic characterization, geomorphologic analysis, establishing ground truth for remote sensing analyses, analyses of major, minor, trace, and volatile elements, atmospheric and other long-lived monitoring, organic molecule analyses, and soil and geotechnical properties.

Barbara A Cohen↗
NASA NTRS2020

Tuning Neural Network Models for Improved Prediction of Boundary Layer Transition

Boundary layer transition can strongly impact flight vehicle performance as it influences surface skin friction and aerodynamic heating, making accurate transition prediction a key to designing next generation aircraft. Artificial neural networks (ANNs) have shown promise toward predicting laminar-turbulent transition based on linear stability correlations. The computational efficiency of ANNs and the substantially reduced user involvement in relation to direct computations based on the linear stability theory (LST) makes them an attractive methodology for integrating the LST based correlations in computational fluid dynamics codes. Tollmien-Schlichting (TS) waves correspond to the dominant transition mechanism in 2D or weakly 3D subsonic boundary layers, such as those encountered in general aviation applications. Improvements to neural network model accuracy in predicting the amplification rates of TS instability waves have been investigated by leveraging recent machine learning developments in conjunction with surrogate optimization techniques and via suitable augmentation of the data used to train the networks. The optimized models trained on the modified dataset reduced the average transition location errors on different airfoils at several flow conditions by 51% of the original manually-tuned network’s errors on the same flow cases. The actual transition locations were derived from the Langley Stability and Transition Analysis Code (LASTRAC).

Machine Learning↗
NASA NTRSDate not supplied

Axisymmetric Two-Dimensional Modeling of No Vent Filling of a Cryogenic Tank using Generalized Fluid System Simulation Program

Filling a tank with cryogenic fluid is more challenging than filling a tank with water or any other fluid that is in liquid state at atmospheric condition. Filling a tank with cryogenic fluid is a two-step process. First the tank and the transfer line mustbe chilled. Liquid cryogens start flowing into the tank only after the tank and transfer lines are chilled to the fluid saturation temperature. In normal gravity, cryogenic tanks are usually filled from the bottom at nearly atmospheric pressure. The vapor, caused by heat transfer from the warm tank walls, is allowed to vent from the top of the tank while the tank is being filled. Filling a cryogenic tank in the absence of gravity is more challenging because in a non-stratified environment liquid propellantmay not settle at the tank bottom as it does on earth. There is a strong possibility that liquid propellant may exit through the vent valve, which is typically located at the top of the tank to vent propellant vapor. There are several methodsof filling atank in space: Charge-Hold-Vent method [1], Vented-Chill / No-Vent-Fill (VCNVF)[2],and No Vent Fill with TVS assisted injector [3].This paper addressesnumerical modelingofthe No Vent Fill (NVF) processwhere a TVS (Thermodynamic Vent System) augmented injector was used with the vent valve closed during the entire filling process. NVF tests were conducted in the CRYOgenic Orbital Testbed (CRYOTE) tankat NASA/Marshall Space Flight Centerin 2018.The Generalized Fluid System Simulation Program (GFSSP), a general-purpose flow network code [4] was used to simulate the chilland fill process.

Cryogenics↗