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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

High-Octane Gasoline from Lignocellulosic Biomass via Syngas and Methanol/Dimethyl Ether Intermediates (2021 State of Technology)

The 2021 state of technology (SOT) assessment for the indirect liquefaction (IDL) of lignocellulosic biomass to high-octane gasoline (HOG) via methanol and dimethyl ether (DME) intermediates details the techno-economic analysis (TEA) results and technical progress of the pathway since the 2020 SOT report. A detailed process description and collection of underlying assumptions is given the 2015 design report. In 2021, research efforts rigorously quantified the selectivity of DME to aromatic compounds. As a result, the overall carbon selectivity to hydrocarbon products was updated based upon new findings. Additionally, research conducted over the past few years resulted in successful lower temperature regeneration of NREL's Cu/BEA catalyst with favorable implications on catalyst longevity. Discussions with an engineering firm resulted in an update to the excess air requirement for process combustors (including the char combustor, tar reformer combustor, and catalyst regenerator) in which excess air was reduced from 20% excess to 10%. The cumulative effect of the above efforts was used to calculate a minimum fuel selling price for the modeled pathway. Sensitivity cases examining federal carbon tax credits from CO 2 capture, product selectivity and yield, catalyst lifetime, and other key financial and process parameters were also considered in this assessment.

09 BIOMASS FUELS↗
NASA NTRS1992

Replacement bearing for Rocketdyne SSME HPOTPs using alternate self-lubricating retainer materials

Research was conducted to develop replacement bearings for the Rocketdyne Space Shuttle main engine (SSME) high pressure oxidizer turbopumps (HPOTPs). The replacement bearings consisted of standard balls and races with a special Battelle Self-Lubricating Insert Configuration (BASIC) retainer. The BASIC retainer consists of a phosphor bronze housing with inserts consisting of a polytetrafluoretheylene (PTFE) and bronze compound. The PTFE contacts the balls and the land guiding surface on the outer race. A PTFE transfer film is formed on balls and races, which lubricates the critical interfaces. The BASIC retainer is a one-to-one replacement for the current Armalon retainer, but has superior lubricating properties and is stronger over the broad temperature range anticipated for the HPOTP bearings. As a part of the project 40 sets of balls and races (two sizes) and 52 BASIC retainers were shipped to NASA/MSFC.

Gleeson, J.↗
NASA NTRS1995

Replacement of corrosion protection chromate primers and paints used in cryogenic applications on the Space Shuttle with wire arc sprayed aluminum coatings

With the advent of new environmental laws restricting volatile organic compounds and hexavalent chrome emissions, 'environmentally safe' thermal spray coatings are being developed to replace the traditional corrosion protection chromate primers. A wire arc sprayed aluminum coating is being developed for corrosion protection of low pressure liquid hydrogen carrying ducts on the Space Shuttle Main Engine. Currently, this hardware utilizes a chromate primer to provide protection against corrosion pitting and stress corrosion cracking induced by the cryogenic operating environment. The wire are sprayed aluminum coating has been found to have good potential to provide corrosion protection for flight hardware in cryogenic applications. The coating development, adhesion test, corrosion test and cryogenic flexibility test results will be presented.

Daniel, R. L.↗
NASA NTRS1991

National Aeronautics and Space Administration (nasa)/american Society for Engineering Education (ASEE) Summer Faculty Fellowship Program, 1991, Volume 1

Presented here is a compilation of the final reports of the research projects done by the faculty members during the summer of 1991. Topics covered include optical correlation; lunar production and application of solar cells and synthesis of diamond film; software quality assurance; photographic image resolution; target detection using fractal geometry; evaluation of fungal metabolic compounds released to the air in a restricted environment; and planning and resource management in an intelligent automated power management system.

Hyman, William A.↗
DOE OSTI2021

Efficient production of oxidized terpenoids via engineering fusion proteins of terpene synthase and cytochrome P450

The functionalization of terpenes using cytochrome P450 enzymes is a versatile route to the production of useful derivatives that can be further converted to value-added products. Many terpenes are hydrophobic and volatile making their availability as a substrate for P450 enzymes significantly limited during microbial production. In this study, we developed a strategy to improve the accessibility of terpene molecules for the P450 reaction by linking terpene synthase and P450 together. As a model system, fusion proteins of 1,8-cineole synthase (CS) and P450 cin were investigated and it showed an improved hydroxylation of the monoterpenoid 1,8-cineole up to 5.4-fold. Structural analysis of the CS-P450 cin fusion proteins by SEC-SAXS indicated a dimer formation with preferred orientations of the active sites of the two domains. We also applied the enzyme fusion strategy to the oxidation of a sesquiterpene epi-isozizaene and the fusion enzymes significantly improved albaflavenol production in engineered E. coli. From the analysis of positive and negative examples of the fusion strategy, we proposed key factors in structure-based prediction and evaluation of fusion enzymes. Developing fusion enzymes for terpene synthase and P450 presents an efficient strategy toward oxidation of hydrophobic terpene compounds. This strategy could be widely applicable to improve the biosynthetic titer of the functionalized products from hydrophobic terpene intermediates.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1997

Design and Fabrication of a Dielectric Total Internal Reflecting Solar Concentrator and Associated Flux Extractor for Extreme High Temperature (2500K) Applications

The Analex Corporation, under contract to the NASA Lewis Research Center (LeRC), Cleveland, Ohio, recently evaluated the feasibility of utilizing refractive secondary concentrators for solar heat receivers operating at temperatures up to 2500K. The feasibility study pointed out a number of significant advantages provided by solid single crystal refractive devices over the more conventional hollow reflective compound parabolic concentrators (CPCs). In addition to the advantages of higher concentration ratio and efficiency, the refractive concentrator, when combined with a flux extractor rod, provides for flux tailoring within the heat receiver cavity. This is a highly desirable, almost mandatory, feature for solar thermal propulsion engine designs presently being considered for NASA and Air Force thermal applications. Following the feasibility evaluation, the NASA-LeRC, NASA-Marshall Space Flight Center (MSFC), and Analex Corporation teamed up to design, fabricate, and test a refractive secondary concentrator/flux extractor system for potential use in the NASA-MSFC "Shooting Star" flight experiment. This paper describes the advantages and technical challenges associated with the design methodologies developed and utilized and the material and fabrication limitations encountered.

Soules, Jack A.↗
NASA NTRS2002

ASTROCULTURE(tm) Commercial Plant Growth Unit and Glove Box Insert

Two commercial plant investigations will be conducted during the STS-107 mission: living flower essential oil production and gene transfer. The research will be done using the ASTROCULTURE (trademark) hardware, which builds on similar experiments flown in the past on the space shuttle. This research will investigate how microgravity might affect the formation of the volatile chemical compounds - the essential oils - produced by two different types of living flowers. The flowers will be cultured in the ASTROCULTURE (trademark) plant chamber, which provides an enclosed and controlled environment. As the flowers bloom in space, they will produce essential oils, and these volatile compounds will be collected using International Flavors and Fragrance's proprietary Solid Phase Micro Extraction (SPME) technology. The gene transfer experiment examines a newly developed transformation system to see if it operates efficiently in the microgravity environment. This research is important for the development of genetically engineered crops, also known as transgenic crops.

Wei-Jia Zhou↗
DOE OSTI2021

Artificial Intelligence for Autonomous Molecular Design: A Perspective

Domain-aware artificial intelligence has been increasingly adopted in recent years to expedite molecular design in various applications, including drug design and discovery. Recent advances in areas such as physics-informed machine learning and reasoning, software engineering, high-end hardware development, and computing infrastructures are providing opportunities to build scalable and explainable AI molecular discovery systems. This could improve a design hypothesis through feedback analysis, data integration that can provide a basis for the introduction of end-to-end automation for compound discovery and optimization, and enable more intelligent searches of chemical space. Several state-of-the-art ML architectures are predominantly and independently used for predicting the properties of small molecules, their high throughput synthesis, and screening, iteratively identifying and optimizing lead therapeutic candidates. However, such deep learning and ML approaches also raise considerable conceptual, technical, scalability, and end-to-end error quantification challenges, as well as skepticism about the current AI hype to build automated tools. To this end, synergistically and intelligently using these individual components along with robust quantum physics-based molecular representation and data generation tools in a closed-loop holds enormous promise for accelerated therapeutic design to critically analyze the opportunities and challenges for their more widespread application. This article aims to identify the most recent technology and breakthrough achieved by each of the components and discusses how such autonomous AI and ML workflows can be integrated to radically accelerate the protein target or disease model-based probe design that can be iteratively validated experimentally. Taken together, this could significantly reduce the timeline for end-to-end therapeutic discovery and optimization upon the arrival of any novel zoonotic transmission event. Our article serves as a guide for medicinal, computational chemistry and biology, analytical chemistry, and the ML community to practice autonomous molecular design in precision medicine and drug discovery.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1991

Aging commuter aeroplanes: Fatigue evaluation and control methods

The risks associated with old aeroplanes arise in the main from the difficulty of obtaining support from the manufacturer and other skilled people, and from a general loss of reliability caused by wear and other deterioration. The loss of reliability is caused by two broad classes of problem. There are those problems which are self evident, and hazardous rather than catastrophic. These are the problem areas where characteristically there have been multiple overhauls, repairs, and replacements, and where aging really means the results of repair ineffectiveness that accumulates. The other class of problem is the insidious and potentially catastrophic class. It includes the progressive deterioration of items which are not maintained, and often cannot be maintained because the deterioration cannot be seen. It includes loss of physical properties in adhesives and other organic compounds, corrosion, and the response to repeated loads. This paper deals with a currently unnecessarily troublesome aspect of that response. The present working definition of "commuter aeroplanes" encompasses a wide range of aging types, from the Fairchild F27, through deHavilland Canada Twin Otters to the smaller twin engined Piper and Cessna models. It includes such types as the Lockheed 10, the Beech 18, and the Grumman Mallard. Although we must remain concerned about those types which have been certificated under a design standard or operational rule which embodies the elementary fail-safe concept and which have not been subjected to a subsequent structural audit, this paper is directed, in the first instance, towards types for which fatigue and damage tolerance evaluation was not required as a condition of certification. It will be seen, however, that the principles are robust enough for more general application.

Aging Aircraft↗
DOE OSTI2021

Chemical-damage MINE: A database of curated and predicted spontaneous metabolic reactions

Spontaneous reactions between metabolites are often neglected in favor of emphasizing enzyme-catalyzed chemistry because spontaneous reaction rates are assumed to be insignificant under physiological conditions. However, synthetic biology and engineering efforts can raise natural metabolites' levels or introduce unnatural ones, so that previously innocuous or nonexistent spontaneous reactions become an issue. Problems arise when spontaneous reaction rates exceed the capacity of a platform organism to dispose of toxic or chemically active reaction products. While various reliable sources list competing or toxic enzymatic pathways' side-reactions, no corresponding compilation of spontaneous side-reactions exists, nor is it possible to predict their occurrence. We addressed this deficiency by creating the Chemical Damage (CD)-MINE resource. First, we used literature data to construct a comprehensive database of metabolite reactions that occur spontaneously in physiological conditions. We then leveraged this data to construct 148 reaction rules describing the known spontaneous chemistry in a substrate-generic way. We applied these rules to all compounds in the ModelSEED database, predicting 180,891 spontaneous reactions. The resulting (CD)-MINE is available at https://minedatabase.mcs.anl. gov/cdmine/#/home and through developer tools. We also demonstrate how damage-prone intermediates and end products are widely distributed among metabolic pathways, and how predicting spontaneous chemical damage helps rationalize toxicity and carbon loss using examples from published pathways to commercial products. We explain how analyzing damage-prone areas in metabolism helps design effective engineering strategies. Finally, we use the CD-MINE toolset to predict the formation of the novel damage product N-carbamoyl proline, and present mass spectrometric evidence for its presence in Escherichia coli.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Control and synchronization of rapid nanoscale DNA heat engine by local heating

To further activate devices based on DNA nanotechnology, we introduce an approach that notably enhances both the speed and force of DNA powered machines and artificial hinge machine. A microheater, with millisecond response, heats or recools DNA origami constructs, hybridizing or dehybridizing sticky ends. Because anything within 20 micrometers of the heater equilibrates to a programmed temperature change in milliseconds, sticky ends of a compound DNA origami machine can open and close synchronously and operate cooperatively, in phase, additively increasing the drive force compared to single pair of sticky ends DNA machine (the six-helix bundle DNA origami hinge machine). In our demonstrations, we fold and unfold two square origami with 10 pairs of complementary sticky ends to drive a bead on the end of a rod like origami to speeds exceeding 30 micrometers per second. Our device envisions the creation of complex, synchronized DNA machines.

Science & Technology - Other Topics↗
DOE OSTI2023

Facet-dependent electron transfer induces distinct arsenic reallocations on hematite

The interfacial electron transfer (ET) between electron shuttling compounds and iron (Fe) oxyhydroxides plays a crucial role in the reductive dissolution of Fe minerals and the fate of surface-bound arsenic (As). However, the impact of exposed facets of highly crystalline hematite on reductive dissolution and As immobilization is poorly understood. In this study, we systematically investigated the interfacial processes of the electron shuttling compound cysteine (Cys) on various facets of hematite and the reallocations of surface-bound As(III) or As(V) on the respective surfaces. Our results demonstrate that the ET process between Cys and hematite generates Fe(II) and leads to reductive dissolution, with more Fe(II) generated on {001} facets of exposed hematite nanoplates (HNPs). Reductive dissolution of hematite leads to significantly enhanced As(V) reallocations on hematite. Nevertheless, upon the addition of Cys, a raipd release of As(III) can be halted by its prompt re-adsorption, leaving the extent of As(III) immobilization on hematite unchanged throughout the course of reductive dissolution. This is due to that Fe(II) can form new precipitates with As(V), a process that is facet-dependent and influenced by water chemistry. Electrochemical analysis reveals that HNPs exhibit higher conductivity and ET ability, which is beneficial for reductive dissolution and As reallocations on hematite. In conclusion, these findings highlight the facet-dependent reallocations of As(III) and As(V) facilitated by electron shuttling compounds and have implications for the biogeochemical processes of As in soil and subsurface environments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

A topological kagome magnet in high entropy form

AbstractTopological kagome magnets RMn 6 Sn 6 (R = rare earth element) attract numerous interests due to their non-trivial band topology and room-temperature magnetism. Here, we report a high entropy version of kagome magnet, (Gd 0.38 Tb 0.27 Dy 0.20 Ho 0.15 )Mn 6 Sn 6 . Such a high entropy material exhibits multiple spin reorientation transitions, which is not seen in all the related parent compounds and can be understood in terms of competing magnetic interactions enabled by high entropy. Furthermore, we also observed an intrinsic anomalous Hall effect, indicating that the high entropy phase preserves the non-trivial band topology. These results suggest that high entropy may provide a route to engineer the magnetic structure and expand the horizon of topological materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Improved Methods for Modeling Functional Transition Metal Compounds in Complex Environments: Ground States, Excited States, and Spectroscopies

Rapid advances in energy applications require new theory and computational models to provide guidance for interpretation of experimental results and mechanistic understanding. New theory development is necessary to treat systems of increasing complexity, size, and relevance to real applications. Functional transition metal compounds, including molecules, clusters, nanoparticles, surfaces, and solids, provide particular promise for magnetic, optical, and catalytic applications. However, such systems can be exceptionally challenging to model. To make progress in understanding and designing transition metal compounds for energy applications, theory must be able to simulate such systems in complex environments, as well as simulate the spectra of such complex systems to provide direct connections with experiment. Leveraging the independent expertise of the team’s members, this project aimed to make inroads to the theoretical and computational challenges associated with studying transition metal compounds, their reaction chemistry, photophysics and photochemistry, and response to spectroscopic interrogation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1998

Key Issues for Aerospace Applications of Ceramic Matrix Composites

Ceramic matrix composites (CMC) offer significant advantages for future aerospace applications including turbine engine and liquid rocket engine components, thermal protection systems, and "hot structures". Key characteristics which establish ceramic matrix composites as attractive and often enabling choices are strength retention at high temperatures and reduced weight relative to currently used metallics. However, due to the immaturity of this class of materials which is further compounded by the lack of experience with CMC's in the aerospace industry, there are significant challenges involved in the development and implementation of ceramic matrix composites into aerospace systems. Some of the more critical challenges are attachment and load transfer methodologies; manufacturing techniques, particularly scale up to large and thick section components; operational environment resistance; damage tolerance; durability; repair techniques; reproducibility; database availability; and the lack of validated design and analysis tools. The presentation will examine the technical issues confronting the application of ceramic matrix composites to aerospace systems and identify the key material systems having potential for substantial payoff relative to the primary requirements of light weight and reduced cost for future systems. Current programs and future research opportunities will be described in the presentation which will focus on materials and processes issues.

Clinton, R. G., Jr.↗
NASA NTRS1972

Rotor systems research aircraft predesign study. Volume 2: Conceptual study report

The overall feasibility of the technical requirements and concepts for a rotor system research aircraft (RSRA) was determined. The designs of two aircraft were then compared against the RSRA requirements. One of these is an all new aircraft specifically designed as an RSRA vehicle. A new main rotor, transmission, wings, and fuselage are included in this design. The second aircraft uses an existing Sikorsky S-61 main rotor, an S-61 roller gearbox, and a highly modified Sikorsky S-67 airframe. The wing for this aircraft is a new design. Both aircraft employ a fan-in-fin anti-torque/yaw control system, T58-GE-16 engines for rotor power, and TF34-GE-2 turbofans for auxiliary thrust. Each aircraft meets the basic requirements and goals of the program. The all new aircraft has inflight variable main rotor shaft tilt, a side-by-side cockpit seating arrangement, and is slightly faster in the compound mode. It is also somewhat lighter since it uses new dynamic components specifically designed for the RSRA. Preliminary development plans, including schedules and costs, were prepared for both of these aircraft.

Schmidt, S. A.↗
DOE OSTI2024

Layered and Low-Dimensional Lead, Silver, and Bismuth Halide Perovskites Directed by Halogen-Substituted Spacer Cations

Hybrid organic–inorganic metal halides provide a diverse parameter space in which the optoelectronic properties can be tuned through the composition. The compositional tunability extends to the metal site, which can be expanded from single valent metals (e.g., Pb 2+ ) to multivalent metals (e.g., Ag + and Bi 3+ ), and the dimension (2D, 1D, or 0D). However, a deeper understanding of how the organic cations template these metal halide structures is needed. Here, we synthesize and study the structures of a series of new layered and low-dimensional metal (Pb, Ag, and Bi) halides templated by the halogenated aryl spacer cations 2-chlorobenzylammonium (2ClBZ) and 3-chloro-2-fluorobenzylammonium (3Cl2FBZ). We report new lead perovskites, (3Cl2FBZ) 2 PbBr 4 , (2ClBZ) 3 PbI 5 , and (3Cl2FBZ) 2 PbI 4 , and compare them to their silver and/or bismuth analogs (2ClBZ) 4 AgBiBr 8 , (3Cl2FBZ) 4 AgBiBr 8 , (2ClBZ) 3 Bi 2 I 9 , and (3Cl2FBZ) 4 Bi 2 I 10 . In all structures, the halogen-substituted cations result in 2D or “pseudo-2D” layering, but the different halogen substituents introduce different distortions (tilting, octahedral distortion) and dimensional reduction to 1D or 0D depending on the metal and halide compositions. Optical absorption measurements reveal the bandgaps are tunable through metal sites, dimension, and cations to different extents. Furthermore, the 1D (3Cl2FBZ) 4 Bi 2 I 10 crystallizes in the noncentrosymmetric space group Cmc2 1 and exhibits second-harmonic generation (SHG). Furthermore, the organic–inorganic interactions and resultant structural distortions examined here provide insights toward the engineering of noncentrosymmetry and dimensional control in hybrid metal halide perovskites.

Cations↗
DOE OSTI2020

Controlling $T_c$ through Band Structure and Correlation Engineering in Collapsed and Uncollapsed Phases of Iron Arsenides

Recent observations of selective emergence (suppression) of superconductivity in the uncollapsed (collapsed) tetragonal phase of LaFe 2 As 2 has rekindled interest in understanding what features of the band structure control the superconducting $T_c$. In this work, we show that the proximity of the narrow Fe-$d_{xy}$ state to the Fermi energy emerges as the primary factor. In the uncollapsed phase this state is at the Fermi energy, and is most strongly correlated and a source of enhanced scattering in both single and two particle channels. The resulting intense and broad low energy spin fluctuations suppress magnetic ordering and simultaneously provide glue for Cooper pair formation. In the collapsed tetragonal phase, the $d_{xy}$ state is driven far below the Fermi energy, which suppresses the low-energy scattering and blocks superconductivity. A similar source of broad spin excitation appears in uncollapsed and collapsed phases of CaFe 2 As 2 . This suggests controlling coherence provides a way to engineer $T_c$ in unconventional superconductors primarily mediated through spin fluctuations.

36 MATERIALS SCIENCE↗