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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Dense Non Aqueous Phase Liquid Source Area Delineation Using Membrane Interface Probe and Hydraulic Profile Tool Technology at Space Launch Complex 16, Cape Canaveral Air Force Station, Florida - 16352

The historical use and disposal of chlorinated solvents throughout Department of Defense and Department of Energy sites has resulted in subsurface contamination by dense non-aqueous phase liquids (DNAPL). The nature and environmental persistence of DNAPLs makes delineation and remediation of these compounds challenging and costly. This paper examines the utilization of data from a membrane interface probe (MIP) and hydraulic profile tool (HPT) to reduce a typical 18 to 24 month field investigation to 3 months; thereby, significantly reducing costs and resulting in a three-dimensional (3D) imagery of a deep DNAPL plume in order to support an aggressive remedial design for Space Launch Complex 16 (SLC16) at Cape Canaveral Air Force Station, Florida. During the early stages of the U.S. space program, chlorinated solvents were routinely used at space complexes. Spent solvents were discharged to surface impoundments where they migrated into the subsurface. Over time, these chlorinated solvents reached concentrations high enough to form a DNAPL plume. Recent investigations near SLC16 identified a previously unknown DNAPL plume co-mingled with dissolved-phase chlorinated compounds. The DNAPL source area (concentrations of trichloroethene [TCE] as high as 1,000,000 micrograms per liter [μg/L]) was discovered approximately 1,200 feet (ft) west of the existing monitoring network area. The U.S. Air Force, along with the U.S. Army Corps of Engineers, developed data quality objectives (DQO) to delineate the extent of the DNAPL and the dissolved-phase contaminant plume. A multi-phase investigation approach was developed by HydroGeoLogic, Inc. (HGL) emphasizing the use of MIP and HPT sampling technologies, conventional direct push technology (DPT), and monitoring well sampling methods. This approach allowed the collection of real-time data that supported the project DQOs and significantly reduced overall project costs and the field implementation schedule. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Engineering the biological conversion of methanol to specialty chemicals in Escherichia coli

Methanol is an attractive substrate for biological production of chemicals and fuels. Engineering methylotrophic Escherichia coli as a platform organism for converting methanol to metabolites is desirable. Prior efforts to engineer methylotrophic E. coli were limited by methanol dehydrogenases (Mdhs) with unfavorable enzyme kinetics. We engineered E. coli to utilize methanol using a superior NAD-dependent Mdh from Bacillus stearothermophilus and ribulose monophosphate (RuMP) pathway enzymes from B. methanolicus. Using 13 C-labeling, we demonstrate this E. coli strain converts methanol into biomass components. For example, the key TCA cycle intermediates, succinate and malate, exhibit labeling up to 39%, while the lower glycolytic intermediate, 3-phosphoglycerate, up to 53%. Multiple carbons are labeled for each compound, demonstrating a cycling RuMP pathway for methanol assimilation to support growth. In conclusion, by incorporating the pathway to synthesize the flavanone naringenin, we demonstrate the first example of in vivo conversion of methanol into a specialty chemical in E. coli.

59 BASIC BIOLOGICAL SCIENCES↗
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↗
DOE OSTI2011

High-pressure and high-temperature x-ray diffraction cell for combined pressure, composition, and temperature measurements of hydrides

We present the design and construction of a high-pressure (200 bars) and high-temperature (600 deg. C) x-ray diffraction (XRD) cell for the in situ investigation of the hydrogen sorption of hydrides. In combination with a pressure, composition, and temperature system, simultaneous XRD and volumetric measurements become accessible. The cell consists of an x-ray semi-transparent hemispherical beryllium (Be) dome covering a heatable sample stage, which simultaneously allows sample temperatures of up to 600 deg. C in an applied hydrogen atmosphere of up to 200 bars. The system volume is as low as possible to maximize the precision of the volumetric measurements. Due to the high thermal conductivity of hydrogen, and in order to preserve the mechanical stability of the beryllium, the cell is water cooled. Its operability was studied on the example of the hydrogen absorption of Mg{sub 2}Ni. The advantages and limitations of the proposed design are discussed.

42 ENGINEERING↗
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 OSTI2010

Multiscale schemes for the predictive description and virtual engineering of materials.

This report documents research carried out by the author throughout his 3-years Truman fellowship. The overarching goal consisted of developing multiscale schemes which permit not only the predictive description but also the computational design of improved materials. Identifying new materials through changes in atomic composition and configuration requires the use of versatile first principles methods, such as density functional theory (DFT). Using DFT, its predictive reliability has been investigated with respect to pseudopotential construction, band-gap, van-der-Waals forces, and nuclear quantum effects. Continuous variation of chemical composition and derivation of accurate energy gradients in compound space has been developed within a DFT framework for free energies of solvation, reaction energetics, and frontier orbital eigenvalues. Similar variations have been leveraged within classical molecular dynamics in order to address thermal properties of molten salt candidates for heat transfer fluids used in solar thermal power facilities. Finally, a combination of DFT and statistical methods has been used to devise quantitative structure property relationships for the rapid prediction of charge mobilities in polyaromatic hydrocarbons.

36 MATERIALS SCIENCE↗
DOE OSTI2013

An experimental and modeling study of the autoignition of 3-methylheptane

An experimental and kinetic modeling study of the autoignition of 3-methylheptane, a compound representative of the high molecular weight lightly branched alkanes found in large quantities in conventional and synthetic aviation kerosene and diesel fuels, is reported. Shock tube and rapid compression machine ignition delay time measurements are reported over a wide range of conditions of relevance to combustion engine applications: temperatures from 678 to 1356 K; pressures of 6.5, 10, 20, and 50 atm; and equivalence ratios of 0.5, 1.0, and 2.0. The wide range of temperatures examined provides observation of autoignition in three reactivity regimes, including the negative temperature coefficient (NTC) regime characteristic of paraffinic fuels. Comparisons made between the current ignition delay measurements for 3-methylheptane and previous results for n-octane and 2-methylheptane quantifies the influence of a single methyl substitution and its location on the reactivity of alkanes. It is found that the three C8 alkane isomers have indistinguishable high-temperature ignition delay but their ignition delay times deviate in the NTC and low-temperature regimes in correlation with their research octane numbers. The experimental results are compared with the predictions of a proposed kinetic model that includes both high- and low-temperature oxidation chemistry. The model mechanistically explains the differences in reactivity for n-octane, 2-methylheptane, and 3-methylheptane in the NTC through the influence of the methyl substitution on the rates of isomerization reactions in the low-temperature chain branching pathway, that ultimately leads to ketohydroperoxide species, and the competition between low-temperature chain branching and the formation of cyclic ethers, in a chain propagating pathway.

3-Methylheptane↗
DOE OSTI2017

A 4 U laser heterodyne radiometer for methane (CH 4 ) and carbon dioxide (CO 2 ) measurements from an occultation-viewing CubeSat

An experimental and kinetic modeling study of the autoignition of 3-methylheptane, a compound representative of the high molecular weight lightly branched alkanes found in large quantities in conventional and synthetic aviation kerosene and diesel fuels, is reported. Shock tube and rapid compression machine ignition delay time measurements are reported over a wide range of conditions of relevance to combustion engine applications: temperatures from 678 to 1356 K; pressures of 6.5, 10, 20, and 50 atm; and equivalence ratios of 0.5, 1.0, and 2.0. The wide range of temperatures examined provides observation of autoignition in three reactivity regimes, including the negative temperature coefficient (NTC) regime characteristic of paraffinic fuels. Comparisons made between the current ignition delay measurements for 3-methylheptane and previous results for n-octane and 2-methylheptane quantifies the influence of a single methyl substitution and its location on the reactivity of alkanes. It is found that the three C8 alkane isomers have indistinguishable high-temperature ignition delay but their ignition delay times deviate in the NTC and low-temperature regimes in correlation with their research octane numbers. The experimental results are compared with the predictions of a proposed kinetic model that includes both high- and low-temperature oxidation chemistry. The model mechanistically explains the differences in reactivity for n-octane, 2-methylheptane, and 3-methylheptane in the NTC through the influence of the methyl substitution on the rates of isomerization reactions in the low-temperature chain branching pathway, that ultimately leads to ketohydroperoxide species, and the competition between low-temperature chain branching and the formation of cyclic ethers, in a chain propagating pathway.

3-Methylheptane↗
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 OSTI2018

Heat-stable, FE-dependent alcohol dehydrogenase for aldehyde detoxification

The present invention relates to microorganisms and polypeptides for detoxifying aldehydes associated with industrial fermentations. In particular, a heat-stable, NADPH- and iron-dependent alcohol dehydrogenase was cloned from Thermoanaerobacter pseudethanolicus 39E and displayed activity against a number of aldehydes including inhibitory compounds that are produced during the dilute-acid pretreatment process of lignocellulosic biomass before fermentation to biofuels. Methods to use the microorganisms and polypeptides of the invention for improved conversion of bio mass to biofuel are provided as well as use of the enzyme in metabolic engineering strategies for producing longer-chain alcohols from sugars using thermophilic, fermentative microorganisms.

59 BASIC BIOLOGICAL SCIENCES↗
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↗