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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 595 records · Page 33

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DOE OSTI2022

Review—Micro-Fuel Cell Principal Biosensors for Monitoring Transdermal Volatile Organic Compounds in Humans

Knowledge of transduction mechanisms in biosensing applications paves the way for ultrasensitive and dynamic detection in living systems. Real-world biosensing applications where ultra-sensitivity and dynamic detection are paramount include monitoring the anesthetic agent concentration during surgery; the slightest variation in concentration can potentially result in a life-threatening overdose or, on the other end of the spectrum, the patient’s awareness during the procedure. We review the benefits and functions of the transcutaneous biosensor device compared with other current technology and discuss the sensor’s capability to accurately measure volatile anesthetic gas concentration in blood using fuel cell technology. We review fundamental concepts of fuel-cell technology for wearable bio-sensing applications. The fuel cell sensor can also continuously monitor other volatile organic compounds making it versatile with numerous potential applications.

42 ENGINEERING↗

NASA NTRS1999

Optical Evaluation of an As-Manufactured Compound Secondary Concentrator

Secondary concentrators are needed in solar thermal propulsion to further concentrate the energy collected by large lightweight primary concentrators. Although the physics of secondary concentrators has been worked out in detail and the manufacturing has been successfully completed for a ground demonstration, there is a need to quantify the specific performance of as-manufactured concentrators. This paper summarizes the properties of a secondary concentrator manufactured for the Integrated Solar Upper Stage engine ground demonstration in 1997 and presents data obtained from the optic that describe the performance of the as-manufactured component.

Jaworske, Donald A.↗

NASA NTRS1999

Optical Evaluation of an As-Manufactured Compound Secondary Concentrator

Jaworske, Donald A.↗

DOE OSTI2024

Structure-Based Identification of Novel Histone Deacetylase 4 (HDAC4) Inhibitors

Histone deacetylases (HDACs) are important cancer drug targets. Existing FDA-approved drugs target the catalytic pocket of HDACs, which is conserved across subfamilies (classes) of HDAC. However, engineering specificity is an important goal. Herein, we use molecular modeling approaches to identify and target potential novel pockets specific to Class IIA HDAC-HDAC4 at the interface between HDAC4 and the transcriptional corepressor component protein NCoR. These pockets were screened using an ensemble docking approach combined with consensus scoring to identify compounds with a different binding mechanism than the currently known HDAC modulators. Binding was compared in experimental assays between HDAC4 and HDAC3, which belong to a different family of HDACs. HDAC4 was significantly inhibited by compound 88402 but not HDAC3. Two other compounds (67436 and 134199) had IC50 values in the low micromolar range for both HDACs, which is comparable to the known inhibitor of HDAC4, SAHA (Vorinostat). However, both of these compounds were significantly weaker inhibitors of HDAC3 than SAHA and thus more selective, albeit to a limited extent. Five compounds exhibited activity on human breast carcinoma and/or urothelial carcinoma cell lines. The present result suggests potential mechanistic and chemical approaches for developing selective HDAC4 modulators.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1995

Evaluation of pressurized water cleaning systems for hardware refurbishment

Historically, refurbishment processes for RSRM motor cases and components have employed environmentally harmful materials. Specifically, vapor degreasing processes consume and emit large amounts of ozone depleting compounds. This program evaluates the use of pressurized water cleaning systems as a replacement for the vapor degreasing process. Tests have been conducted to determine if high pressure water washing, without any form of additive cleaner, is a viable candidate for replacing vapor degreasing processes. This paper discusses the findings thus far of Engineering Test Plan - 1168 (ETP-1168), 'Evaluation of Pressurized Water Cleaning Systems for Hardware Refurbishment.'

Dillard, Terry W.↗

NASA NTRS1994

The chemical reactivity of the Martian soil and implications for future missions

Possible interpretations of the results of the Viking Biology Experiments suggest that greater than 1 ppm of a thermally labile oxidant, perhaps H2O2, and about 10 ppm of a thermally stable oxidant are present in the martian soil. We reexamine these results and discuss implications for future missions, the search for organics on Mars, and the possible health and engineering effects for human exploration. We conclude that further characterization of the reactivity of the martian regolith materials is warrented-although if our present understanding is correct the oxidant does not pose a hazard to humans. There are difficulties in explaining the reactivity of the Martian soil by oxidants. Most bulk phase compounds that are capable of oxidizing H2O to O2 per the Gas Exchange Experiment (GEx) are thermally labile or unstable against reduction by atmospheric CO2. Models invoking trapped O2 or peroxynitrates (NOO2(-)) require an unlikely geologic history for the Viking Lander 2 site. Most suggested oxidants, including H2O2, are expected to decompose rapidly under martian UV. Nonetheless, we conclude that the best model for the martian soil contains oxidants produced by heterogeneous chemical reactions with a photochemically produced atmospheric oxidant. The GEx results may be due to catalytic decomposition of an unstable oxidizing material by H2O. We show that interfacial reaction sites covering less than 1% of the available soil surfaces could explain the Viking Biology Experiments results.

Zent, Aaron P.↗

DOE OSTI2021

Chapter 7 - CRISPR-Based Tools for Microbial Cell Factories

The development of microbial chassis for the production of a variety of biochemicals and biofuels is a growing area of research. How to efficiently manipulate genetic information to achieve optimal production of these compounds is a key area of focus in the field. In recent years, clustered regularly interspaced palindromic repeats (CRISPR) and its associated proteins (Cas) have become a popular strategy for gene editing and regulation in many organisms due to its versatility and efficacy. Here, we describe methods developed utilizing CRISPR-Cas systems for engineering microbial cell factories (e.g., bacteria and yeast) at the single gene to genome scale for mutagenesis and transcriptional regulation of target genes. Finally, we provide a perspective on the challenges and opportunities for the applications of advanced CRISPR-Cas-based tools for engineering microbial cell factories.

BIOMASS FUELS↗

DOE OSTI2021

Thermodynamic properties of the Nd-Bi system via emf measurements, $\mathrm{DFT}$ calculations, machine learning, and $\mathrm{CALPHAD}$ modeling

Thermodynamic properties of the Nd-Bi system were investigated using a combination of experimental measurements, first-principles calculations based on density functional theory (DFT), data mining and machine learning (DM + ML) predictions, and calculation of phase diagrams (CALPHAD) modeling. The electromotive force (emf) of Nd-Bi alloys in molten LiCl-KCl-NdCl 3 at 773–973 K was measured via coulometric titration of Nd into Bi for the determination of thermochemical properties such as activity coefficients and solubilities of Nd in Bi. A new peritectic reaction of [liquid + NdBi 2 = Nd 3 Bi 7 ] at 774 K was confirmed using differential scanning calorimetry, structural (X-ray diffraction), and microstructural (scanning electron microscopy) analyses. The unknown crystal structure of NdBi2 was suggested to be a mixture of the anti-La 2 Sb configuration and the La 2 Te-type configuration based on ML predictions for over 26,000 data-mined AB 2 -type configurations together with DFT-based verifications. Using the newly acquired experimental data and DFT-based calculations, the thermodynamic description of the Nd-Bi system was remodeled, and a more complete Nd-Bi phase diagram was calculated, including the Nd 3 Bi 7 compound, invariant transition reactions, and liquidus temperatures.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Spray and combustion characteristics of pure hydrothermal liquefaction biofuel and mixture blends with diesel

Hydrothermal liquefaction (HTL) is the process in which biological compounds can be converted into biocrude diesel; various feedstocks, such as algae and wet biowaste, can be utilized. Almost 20 million dry tons of wet biowaste is deposited in U.S. municipal wastewaters annually. If recovered and converted into biodiesel, it can act as a massive source of renewable energy. Preliminary experiments on a diesel engine show that HTL fuel can achieve similar performance and emission levels to diesel. In order to further understand the influence of the HTL fuel properties, the HTL fuel and blends with diesel are observed in a constant volume chamber. Previously, 10% and 20% of the HTL fuel were blended with diesel by volume and demonstrated properties that roughly matched diesel in terms of combustion. In this study, 50% and 100% HTL fuel blends are tested on the same apparatus. It was discovered that the workability of HTL is almost the same as that of diesel and is less sensitive to ambient temperatures. When the ambient temperature is reduced from 1200 K to 800 K, the change ratio of ignition delay is only 62% of diesel. By analyzing the combustion process, it can be seen that there is no need to make major modifications to the engine control strategy if HTL fuel is applied to diesel engines. Though, under low temperature and low oxygen conditions, the soot luminosity peak of HTL100 is 3.12 times than that of diesel.

09 BIOMASS FUELS↗

DOE OSTI2020

Crystal and magnetic structure of polar oxide HoCrWO 6

In this study, polar magnetic oxide HoCrWO 6 is synthesized and its crystal structure, magnetic structure, and thermodynamic properties are investigated. HoCrWO 6 forms the polar crystal structure (space group Pna 2 1 (#33)) due to the cation ordering of W 6+ and Cr 3+ . There is an antiferromagnetic transition at T N = 24.5 K along with the magnetic entropy change (~5 J.Kg. –1 K –1 at 70 kOe). Neutron diffraction measurement indicates that both Cr and Ho sublattices are ordered with the moment of 2.32(5)μ B and 8.7(4)μ B at 2 K, respectively. While Cr forms A-type collinear antiferromagnetic (AFM) structure with magnetic moment along the b axis, Ho sublattice orders in a non-coplanar AFM arrangement. A comparison with isostructural DyFeWO 6 and DyCrWO 6 indicates that the magnetic structure of this family of compounds is controlled by the presence or absence of e g electrons in the transition metal sublattice.

42 ENGINEERING↗

DOE OSTI2021

Navigating Transition-Metal Chemical Space: Artificial Intelligence for First-Principles Design

Conspectus The variability of chemical bonding in open-shell transition-metal complexes not only motivates their study as functional materials and catalysts but also challenges conventional computational modeling tools. Here, tailoring ligand chemistry can alter preferred spin or oxidation states as well as electronic structure properties and reactivity, creating vast regions of chemical space to explore when designing new materials atom by atom. Although first-principles density functional theory (DFT) remains the workhorse of computational chemistry in mechanism deduction and property prediction, it is of limited use here. DFT is both far too computationally costly for widespread exploration of transition-metal chemical space and also prone to inaccuracies that limit its predictive performance for localized d electrons in transition-metal complexes. These challenges starkly contrast with the well-trodden regions of small-organic-molecule chemical space, where the analytical forms of molecular mechanics force fields and semiempirical theories have for decades accelerated the discovery of new molecules, accurate DFT functional performance has been demonstrated, and gold-standard methods from correlated wavefunction theory can predict experimental results to chemical accuracy. The combined promise of transition-metal chemical space exploration and lack of established tools has mandated a distinct approach. In this Account, we outline the path we charted in exploration of transition-metal chemical space starting from the first machine learning (ML) models (i.e., artificial neural network and kernel ridge regression) and representations for the prediction of open-shell transition-metal complex properties. The distinct importance of the immediate coordination environment of the metal center as well as the lack of low-level methods to accurately predict structural properties in this coordination environment first motivated and then benefited from these ML models and representations. Once developed, the recipe for prediction of geometric, spin state, and redox potential properties was straightforwardly extended to a diverse range of other properties, including in catalysis, computational “feasibility”, and the gas separation properties of periodic metal–organic frameworks. Interpretation of selected features most important for model prediction revealed new ways to encapsulate design rules and confirmed that models were robustly mapping essential structure–property relationships. Encountering the special challenge of ensuring that good model performance could generalize to new discovery targets motivated investigation of how to best carry out model uncertainty quantification. Distance-based approaches, whether in model latent space or in carefully engineered feature space, provided intuitive measures of the domain of applicability. With all of these pieces together, ML can be harnessed as an engine to tackle the large-scale exploration of transition-metal chemical space needed to satisfy multiple objectives using efficient global optimization methods. In practical terms, bringing these artificial intelligence tools to bear on the problems of transition-metal chemical space exploration has resulted in ML-model assessments of large, multimillion compound spaces in minutes and validated new design leads in weeks instead of decades.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

PAL Experimental Report Form

We constructed the first simultaneous dark- and bright-field X-ray microscope in this experiment, coupling it to simultaneous measurements of the wide-angle Xray diffraction, and the XFEL pulse intensity and energy spectrum on each shot. This experiment established proof of concept for this new advanced measurement technique and demonstrated DFXM at an XFEL for the first time. Within this complex experiment, we also acquired data that advanced our research goals within materials science and mathematics. These included: A preliminary study of how local effects reduce the X-ray damage threshold in diamond; A preliminary study of how X-ray radiation imparts heat into materials based on irreversible phase transitions that occur in boric acid with increasing temperature (based on hydration); A study of X-ray radiation damage from ultrafast thermal cycling and nonthermal melting in bismuth selenide; We also began developing software to automate alignment of compound refractive lenses (CRLs) using stochastic Nelder-Mead optimization methods. This work will expedite and improve the accuracy of alignments for many future experiments using CRLs.

36 MATERIALS SCIENCE↗

NASA NTRS1990

A function-based approach to cockpit procedure aids

The objective of this research is to develop and test a cockpit procedural aid that can compose and present procedures that are appropriate for the given flight situation. The procedure would indicate the status of the aircraft engineering systems, and the environmental conditions. Prescribed procedures already exist for normal as well as for a number of non-normal and emergency situations, and can be presented to the crew using an interactive cockpit display. However, no procedures are prescribed or recommended for a host of plausible flight situations involving multiple malfunctions compounded by adverse environmental conditions. Under these circumstances, the cockpit procedural aid must review the prescribed procedures for the individual malfunction (when available), evaluate the alternatives or options, and present one or more composite procedures (prioritized or unprioritized) in response to the given situation. A top-down function-based conceptual approach towards composing and presenting cockpit procedures is being investigated. This approach is based upon the thought process that an operating crew must go through while attempting to meet the flight objectives given the current flight situation. In order to accomplish the flight objectives, certain critical functions must be maintained during each phase of the flight, using the appropriate procedures or success paths. The viability of these procedures depends upon the availability of required resources. If resources available are not sufficient to meet the requirements, alternative procedures (success paths) using the available resources must be constructed to maintain the critical functions and the corresponding objectives. If no success path exists that can satisfy the critical functions/objectives, then the next level of critical functions/objectives must be selected and the process repeated. Information is given in viewgraph form.

Phatak, Anil V.↗

NASA NTRS1993

On the Accuracy of CFD-Based Pressure Drop Predictions for Right-Angle Ducts

The predictive capability of computational fluid dynamics (CFD) codes for turbulent flow through curved ducts is of significant importance to the design and performance analysis of modern rocket engine flowpaths. Code calibration and validation studies for this class of flow are desireable to estimate the performance margin and operating range of components designed using Navier-Stokes methods. Parametric experimental studies such as that of Weske (NACA ARR W-39) provided a wealth of performance data for the design of single- and compound elbow configurations with various cross-sections, curvature and aspect ratios at varying Reynolds numbers. In that work, the majority of data is presented in the form of loss coefficients, characterizing pressure losses due to duct curvature, and including losses due to wall friction. Using measured friction coefficients, losses of equivalent straight lengths of duct are subtracted, resulting in performance curves useful for design computations. These data are currently used in a CFD-based parametric study covering a broad range of operating conditions. Of particular interest for the accuracy of CFD predictions are the effects on pressure loss due to inlet boundary layer thickness (dependent on upstream development length), and the wall treatment for the turbulence equations (conventional wall functions vs. wall integration using a two-layer model). The experimental data are reassessed in the form of an error analysis, and are compared with CFD predictions for 18 computational cases. Grid-independence, grid spacing, and convergence requirements of the cases are discussed. Conclusions regarding the relative importance of the parametric variables will be presented.

Brankovic, Andreja↗

DOE OSTI2026

Considerations for Microbial Production of Oleochemicals

Fatty acids and their derivatives have a wide variety of uses in industrial and consumer products. While these compounds are traditionally derived from petrochemicals or natural lipids, microbes offer an alternate route for production. This chapter provides an overview of the highly conserved fatty acid biosynthetic pathway. Though highly conserved, key differences among organisms in how the pathway is realized and how it interacts within metabolism are also addressed. Finally, this chapter details engineering interventions aimed at increasing production of and upgrading fatty acids.

Hubbard, Susan C↗

NASA NTRS1993

Weld joint concepts for on-orbit repair of Space Station Freedom fluid system tube assemblies

Because Space Station Freedom (SSF) is an independent satellite, not depending upon another spacecraft for power, attitude control, or thermal regulation, it has a variety of tubular, fluid-carrying assemblies on-board. The systems of interest in this analysis provide breathing air (oxygen and nitrogen), a working fluid (two-phase anhydrous ammonia) for thermal control, and a monopropellant (hydrazine) for station reboost. The tube assemblies run both internally and externally with respect to the habitats. They are found in up to 50 ft. continuous lengths constructed of mostly AISI 316L stainless steel tubing, but also including some Inconel 625 nickel-iron and Monel 400 nickel-copper alloy tubing. The outer diameters (OD) of the tubes range from 0.25-1.25 inches, and the wall thickness between 0.028-.095 inches. The system operational pressures range from 377 psi (for the thermal control system) to 3400 psi (for the high pressure oxygen and nitrogen supply lines in the ECLSS). SSF is designed for a fifteen to thirty year mission. It is likely that the tubular assemblies (TA's) will sustain damage or fail during this lifetime such that they require repair or replacement. The nature of the damage will be combinations of punctures, chips, scratches, and creases and may be cosmetic or actually leaking. The causes of these hypothetical problems are postulated to be: (1) faulty or fatigued fluid joints--both QD's and butt-welds; (2) micro-meteoroid impacts; (3) collison with another man-made object; and (4) over-pressure strain or burst (system origin). While the current NASA baseline may be to temporarily patch the lines by clamping metal c-sections over the defect, and then perform high pressure injection of a sealing compound, it is clear that permanent repair of the line(s) is necessary. This permanent repair could be to replace the entire TA in the segment, or perhaps the segment itself, both alternatives being extremely expensive and risky. The former would likely require extensive EVA to release TA clamps and pose great risk to other engineering subsystems, and the latter would require major de-servicing of the Station.

Jolly, Steven D.↗

NASA NTRS2014

The Development of HfO2-Rare Earth Based Oxide Materials and Barrier Coatings for Thermal Protection Systems

Advanced hafnia-rare earth oxides, rare earth aluminates and silicates have been developed for thermal environmental barrier systems for aerospace propulsion engine and thermal protection applications. The high temperature stability, low thermal conductivity, excellent oxidation resistance and mechanical properties of these oxide material systems make them attractive and potentially viable for thermal protection systems. This paper will focus on the development of the high performance and high temperature capable ZrO2HfO2-rare earth based alloy and compound oxide materials, processed as protective coating systems using state-or-the-art processing techniques. The emphasis has been in particular placed on assessing their temperature capability, stability and suitability for advanced space vehicle entry thermal protection systems. Fundamental thermophysical and thermomechanical properties of the material systems have been investigated at high temperatures. Laser high-heat-flux testing has also been developed to validate the material systems, and demonstrating durability under space entry high heat flux conditions.

Ceramic Matrix Composites↗

NASA NTRSDate not supplied

Strategies Toward Lunar Dust Adhesion Mitigation

Recently, the NASA Space Technology Mission Directorate solicited feedback to prioritize shortfalls, which were defined as technology areas needed to enable future exploration missions. Lunar dust mitigation emerged as a critical area and is cross-cutting with many of the highest ranked shortfalls with passive dust mitigation technologies being directly ranked in the top 50. Hazards associated with lunar dust are ubiquitous across all aspects of long duration lunar surface missions, whether crewed or robotic, due to the abrasive, electrostatically charged, and chemically reactive properties of lunar dust. Compounding the issue, lunar dust moves across the lunar surface due to levitation, twilight craters, and plume-surface interactions, which can result in particle velocities exceeding 1 km/h. To address lunar dust challenges, NASA is developing active and passive adhesion mitigation technologies to address specific mission needs, including electrodynamic dust screens, piezoelectric materials, biomimetic engineered surfaces, among many others. Additionally, abrasion-resistant materials are being evaluated for applications for use near landing sites and in surface manipulation and excavation equipment. These approaches, as well as test methodologies both in the laboratory and on the lunar surface to evaluate technology efficacy, will be described.

Dust Mitigation↗