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At least 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Steering CO 2 hydrogenation toward C–C coupling to hydrocarbons using porous organic polymer/metal interfaces

The conversion of CO 2 into fuels and chemicals is an attractive option for mitigating CO 2 emissions. Controlling the selectivity of this process is beneficial to produce desirable liquid fuels, but C–C coupling is a limiting step in the reaction that requires high pressures. Here, we propose a strategy to favor C–C coupling on a supported Ru/TiO 2 catalyst by encapsulating it within the polymer layers of an imine-based porous organic polymer that controls its selectivity. Such polymer confinement modifies the CO 2 hydrogenation behavior of the Ru surface, significantly enhancing the C 2+ production turnover frequency by 10-fold. We demonstrate that the polymer layers affect the adsorption of reactants and intermediates while being stable under the demanding reaction conditions. Our findings highlight the promising opportunity of using polymer/metal interfaces for the rational engineering of active sites and as a general tool for controlling selective transformations in supported catalyst systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Optimum data analysis procedures for Titan 4 and Space Shuttle payload acoustic measurements during lift-off

Analytical expressions have been derived to describe the mean square error in the estimation of the maximum rms value computed from a step-wise (or running) time average of a nonstationary random signal. These analytical expressions have been applied to the problem of selecting the optimum averaging times that will minimize the total mean square errors in estimates of the maximum sound pressure levels measured inside the Titan IV payload fairing (PLF) and the Space Shuttle payload bay (PLB) during lift-off. Based on evaluations of typical Titan IV and Space Shuttle launch data, it has been determined that the optimum averaging times for computing the maximum levels are (1) T (sub o) = 1.14 sec for the maximum overall level, and T(sub oi) = 4.88 f (sub i) (exp -0.2) sec for the maximum 1/3 octave band levels inside the Titan IV PLF, and (2) T (sub o) = 1.65 sec for the maximum overall level, and T (sub oi) = 7.10 f (sub i) (exp -0.2) sec for the maximum 1/3 octave band levels inside the Space Shuttle PLB, where f (sub i) is the 1/3 octave band center frequency. However, the results for both vehicles indicate that the total rms error in the maximum level estimates will be within 25 percent the minimum error for all averaging times within plus or minus 50 percent of the optimum averaging time, so a precise selection of the exact optimum averaging time is not critical. Based on these results, linear averaging times (T) are recommended for computing the maximum sound pressure level during lift-off.

Piersol, Allan G.↗
NASA NTRS2000

Effect of In-Flight Exercise and Extravehicular Activity on Postflight Stand Tests

The purpose of this study was to determine whether exercise performed by Space Shuttle crewmembers during short-duration spaceflights (9-16 days) affects the heart rate (HR) and blood pressure (BP) responses to standing within 2-4 hr of landing. Thirty crewmembers performed self-selected in-flight exercise and maintained exercise logs to monitor their exercise intensity and duration. A 10min stand test, preceded by at least 6 min of quiet supine rest, was completed 10- 15 d before launch (PRE) and within four hours of landing (POST). Based upon their in-flight exercise records, subjects were grouped as either high (HIex: = 3x/week, HR = 70% ,HRMax, = 20 min/session, n = 11), medium (MEDex: = 3x/week, HR = 70% HRmax, = 20 min/session, n = 10), or low (LOex: = 3x/week, HR and duration variable, n = 11) exercisers. HR and BP responses to standing were compared between groups (ANOVA, or analysis of variance, P < 0.05). There were no PRE differences between the groups in supine or standing HR and BP. Although POST supine HR was similar to PRE, all groups had an increased standing HR compared to PRE. The increase in HR upon standing was significantly greater after flight in the LOex group (36+/-5 bpm) compared to HIex or MEDex groups (25+/-1bpm; 22+/-2 bpm). Similarly, the decrease in pulse pressure (PP) from supine to standing was unchanged after spaceflight in the MEDex and HIex groups, but was significantly less in the LOex group (PRE: -9+/- 3, POST: -19+/- 4 mmHg). Thus, moderate to high levels of in-flight exercise attenuated HR and PP responses to standing after spaceflight compared.

Lee, Stuart M. C.↗
NASA NTRS2024

Relation Between Magnetopause Position and Reconnection Rate Under Quasi‑Steady Solar Wind Dynamic Pressure

The lunar environment heliospheric X-ray imager (LEXI) and solar wind–magnetosphere–ionosphere link explorer (SMILE) will observe the magnetopause motion in soft X-rays to understand dayside reconnection modes as a function of solar wind conditions after their respective launches in the near future. To support their successful science mission, we investigate the relationship between the magnetopause position and the dayside reconnection rate by utilizing super dual auroral radar network (SuperDARN) observations and widely used empirical models of magnetopause position (Shue et al. in J Geophys Res 103:17691–17700. https://doi.org/10.1029/98JA01103, 1998 and Lin et al. in J Geophys Res 115:A04207. https://doi.org/10.1029/2009JA014235, 2010). We select three cases when the interplanetary magnetic field rotates during periods of quasi-steady solar wind dynamic pressure. We first estimate the dayside reconnection rate by calculating the electric field along the open–closed magnetic field boundary (OCB) in the OCB moving reference frame. Then, we estimate the magnetopause position near the local noon by inputting NASA OMNI solar wind data into the empirical magnetopause models. The reconnection rate shows anti-correlation with the magnetopause position that it generally increases as the magnetopause located closer to Earth and vice versa. Our result also confirms that the reconnection rate increases as the empirical coupling efficiency between solar wind and the magnetosphere increases.

Hyangpyo Kim↗
DOE OSTI2020

Magnetic ordering at anomalously high temperatures in selected lanthanides: what about Pr?

Recent experiments have given evidence that for elemental Nd, Tb, and Dy the application of sufficient pressure pushes their magnetic ordering temperatures to anomalously high values. Pr metal has a dhcp structure and is trivalent with the 4f 2 configuration. Its singlet ground state suppresses magnetic order from the 15 K anticipated from de Gennes scaling to 50 mK. Four-point electrical resistivity measurements were carried out on Pr for temperatures 1.5–295 K under pressures to 48 GPa. Although no clear evidence for magnetic order (or superconductivity) is observed above 1.5 K, the temperature dependence of the resistivity gives evidence that Pr may enter a dense Kondo state above 10 GPa.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2013

Sample Handling in Extreme Environments

Harsh environments, such as that on Venus, preclude the use of existing equipment for functions that involve interaction with the environment. The operating limitations of current high temperature electronics are well below the actual temperature and pressure found on Venus (460 deg C and 92 atm), so proposed lander configurations typically include a pressure vessel where the science instruments are kept at Earth-like temperature and pressure (25 deg C and 1 atm). The purpose of this project was to develop and demonstrate a method for sample transfer from an external drill to internal science instruments for a lander on Venus. The initial concepts were string and pneumatically driven systems; and the latter system was selected for its ability to deliver samples at very high speed. The pneumatic system was conceived to be driven by the pressure difference between the Venusian atmosphere and the inside of the lander. The pneumatic transfer of a small capsule was demonstrated, and velocity data was collected from the lab experiment. The sample transfer system was modeled using CAD software and prototyped using 3D printing. General structural and thermal analyses were performed to approximate the proposed system's mass and effects on the temperature and pressure inside of the lander. Additionally, a sampler breadboard for use on Titan was tested and functionality problems were resolved.

sample handling↗
NASA NTRS1993

Component Selection, Accelerated Testing, and Improved Modeling of AMTEC Systems for Space Power

Alkali metal thermal to electric converter (AMTEC) designs for space power are numerous, but the selection of materials for construction of long-lived AMTEC devices has been limited to electrodes, current collectors, and the solid electrolyte. AMTEC devices with lifetimes greater than 5 years require careful selection and life testing of all hot-side components. The likely selection of a remote condensed design for initial flight test and probable use with a radioisotope heat source in AMTEC powered planet probes requires the device to be constructed to tolerate operating T greater than 1150K, as well as exposure to Na (g) , and Na (liq) on the high pressure side. The temperatures involved make the characterization of high strength and chemical resistance to Na containing Na 2 O critical. Selection among materials which can be worked should not be driven by ease of fabricablity, as high temperature stability is the critical issue. These concepts drive the selecton of Mo alloys for Na (liq) containment in AMTEC cells for T to 1150K operation, as they are significantly stronger than comparable Nb or Ta alloys, are less soluble in Na (liq) containing dissolved Na 2 O, are workable compared with W alloys (which might be used for certain components), and are ductile at the T greater than 500K of proposed AMTEC modules in space applications.

AMTEC↗
NASA NTRS1995

Retrieval of water vapor mixing ratios from a laser-based sensor

Langley Research Center has developed a novel external path sensor which monitors water vapor along an optical path between an airplane window and reflective material on the plane's engine. An infrared tunable diode laser is wavelength modulated across a water vapor absorption line at a frequency f. The 2f and DC signals are measured by a detector mounted adjacent to the laser. The 2f/DC ratio depends on the amount of wavelength modulation, the water vapor absorption line being observed, and the temperature, pressure, and water vapor content of the atmosphere. The present work concerns efforts to quantify the contributions of these factors and to derive a method for extracting the water vapor mixing ratio from the measurements. A 3 m cell was fabricated in order to perform laboratory tests of the sensor. Measurements of 2f/DC were made for a series of pressures and modulation amplitudes. During my 1994 faculty fellowship, a computer program was created which allowed 2f/DC to be calculated for any combination of the variables which effect it. This code was used to generate 2f/DC values for the conditions measured in the laboratory. The experimental and theoretical values agreed to within a few percent. As a result, the laser modulation amplitude can now be set in the field by comparing the response of the instrument to the calculated response as a function of modulation amplitude. Once the validity of the computer code was established, it was used to investigate possible candidate absorption lines. 2f/DC values were calculated for pressures, temperatures, and water vapor mixing ratios expected to be encountered in future missions. The results have been incorporated into a database which will be used to select the best line for a particular mission. The database will also be used to select a retrieval technique. For examples under some circumstances there is little temperature dependence in 2f/DC so temperature can be neglected. In other cases, there is a dependence with temperature for a particular pressure, requiring a more complicated retrieval algorithm. Future experimental work is necessary to test agreement with the theoretical values over a range of temperatures and mixing ratios. Additionally, retrieval algorithms for forthcoming missions must be incorporated into the software package which controls the instrument.

Tucker, George F.↗
NASA NTRS2010

Constant-Differential-Pressure Two-Fluid Accumulator

A two-fluid accumulator has been designed, built, and demonstrated to provide an acceptably close approximation to constant differential static pressure between two fluids over the full ranges of (1) accumulator stroke, (2) rates of flow of the fluids, and (3) common static pressure applied to the fluids. Prior differential- pressure two-fluid accumulators are generally not capable of maintaining acceptably close approximations to constant differential pressures. The inadequacies of a typical prior differential-pressure two-fluid accumulator can be summarized as follows: The static differential pressure is governed by the intrinsic spring rate (essentially, the stiffness) of an accumulator tank. The spring rate can be tailored through selection of the tank-wall thickness, selection of the number and/or shape of accumulator convolutions, and/or selection of accumulator material(s). Reliance on the intrinsic spring rate of the tank results in three severe limitations: (1) The spring rate and the expulsion efficiency tend to be inversely proportional to each other: that is to say, as the stiffness (and thus the differential pressure) is increased, the range of motion of the accumulator is reduced. (2) As the applied common static pressure increases, the differential pressure tends to decrease. An additional disadvantage, which may or may not be considered limiting, depending on the specific application, is that an increase in stiffness entails an increase in weight. (3) The additional weight required by a low expulsion efficiency accumulator eliminates the advantage given to such gas storage systems. The high expulsion efficiency provided by this two-fluid accumulator allows for a lightweight, tightly packaged system, which can be used in conjunction with a fuel cell-based system.

Piecuch, Benjamin↗
DOE OSTI2023

Bioinspired Catalyst Design Principles: Progress in Emulating Properties of Enzymes in Synthetic Catalysts

Catalysis enables many aspects of modern life, including fuels, products, plastics, and medicines. Recent advances in catalysis have enabled us to realize higher efficiencies and new processes. Ideally, we seek to achieve high rates of selective conversions using catalysts derived from abundantly available elements and operating under mild conditions, specifically lower reaction temperatures and pressures. Such catalysts could enable decentralized, on-demand synthesis of chemicals and energy carriers. Nature has demonstrated the feasibility of this approach with enzymes, which showcase catalytic processes at low temperatures and pressures with nonprecious metals. Current thinking holds that in addition to the active site, the complexity of the enzyme structure, specifically the protein scaffold, is also critical to achieving this performance. Recreating this environment has been a long-standing scientific goal. However, we still understand the functions of enzymes better than we understand the de novo design of catalysts that mimic enzymes features, while also retaining their activity and selectivity under more demanding conditions. Here, in this Perspective, we will critically examine four key areas of catalyst design that incorporate the chemical and structural properties of enzymes into synthetic catalysts: (i) the use of confinement to enhance catalytic activity, (ii) tailoring the environment around the active site, (iii) proton transport, and (iv) bifunctionality and cooperativity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1973

Acoustic radiation from plates excited by flow noise.

Theoretical formulation of noise radiation from thin, rectangular, flexible plates excited by turbulent wall pressure fluctuations. An extensive parametric study including surface roughness and both plate and flow parameters is presented. From the results, presented graphically, it is possible to predict the spectrum of the total radiated power provided that the power spectral density of the wall-pressure fluctuations, the flow velocity, the plate dimensions and the plate modal damping parameters are known. Along with the parametric study, an estimate of the dependence of the noise radiation on plate boundary conditions based on a consideration of the wavenumber-frequency selectivity of the plate is presented. The parametric study is based on the assumption that the wave number/frequency spectrum of the wall-pressure fluctuations can be described by a Fourier transform of a Corcos model of the cross spectral density. The results indicate that at frequencies above the hydrodynamic-coincidence frequency the radiated power is dependent on the low-wave-number spectrum of the excitation. The dependence on the high-wave-number spectrum, however, is limited to a narrow band of frequencies below the hydrodynamic-coincidence frequency.

Aupperle, F. A.↗
DOE OSTI2021

Interfacial Atomistic Mechanisms of Lithium Metal Stripping and Plating in Solid–State Batteries

All-solid-state batteries based on a Li metal anode represent a promising next-generation energy storage system, but are currently limited by low current density and short cycle life. Further research to improve the Li metal anode is impeded by the lack of understanding in its failure mechanisms at lithium–solid interfaces, in particular, the fundamental atomistic processes responsible for interface failure. Here, using large-scale molecular dynamics simulations, the first atomistic modeling study of lithium stripping and plating on a solid electrolyte is performed by explicitly considering key fundamental atomistic processes and interface atomistic structures. In the simulations, the interface failure initiated with the formation of nano-sized pores, and how interface structures, lithium diffusion, adhesion energy, and applied pressure affect interface failure during Li cycling are observed. By systematically varying the parameters of solid-state lithium cells in the simulations, the parameter space of applied pressures and interfacial adhesion energies that inhibit interface failure during cycling are mapped to guide selection of solid-state cells. Furthermore, this study establishes the atomistic modeling for Li stripping and plating, and predicts optimal solid interfaces and new strategies for the future research and development of solid-state Li-metal batteries.

25 ENERGY STORAGE↗
DOE OSTI2025

Renewable diesel and bio-aromatics production from waste cooking oil using ethanol as a hydrogen donor in deoxygenation reaction

Biofuels offer a promising solution in the fight against climate change. With a global increase in waste cooking oil, this research investigated the production of bio-hydrogenated diesel (BHD) from waste cooking oil, using ethanol as a hydrogen donor in the deoxygenation process. A hydrolyzed waste cooking oil model compound served as the feedstock, and the deoxygenation was performed at 300–400 °C. The catalysts used in the experiments were 2.6 wt% Ni and 7.8 wt% Mo (2.6Ni-7.8Mo) and 10 wt% Ni and 5 wt% Mo (10Ni-5Mo) on γ-Al 2 O 3 . The results showed that ethanol is an effective hydrogen donor for biofuel production without the need for external hydrogen at an elevated pressure. The increasing temperature enhanced the free fatty acid (FFA) conversion and n-alkane selectivity in the oil product, with the highest FFA conversion and alkane selectivity of 100 % and 46 %, respectively, observed at 400 °C for the sulfided 10Ni-5Mo catalyst. On the other hand, 2.6Ni-7.8Mo offers 100 % FFA conversion with a lower n-alkane selectivity of 35 % at identical temperatures. The total acid number (TAN) of the oil products decreased from 174.03 mg KOH/g of feedstock to 9.43 and 8.67 mg KOH/g with the sulfided 2.6Ni-7.8Mo and 10Ni-5Mo catalysts, respectively. Both the catalysts achieved similar heating values (~43 MJ/kg) at 400 °C. This is a significant improvement to the HHV of the feedstock, which was 36.02 MJ/kg. Additionally, aromatic compounds, mainly BTXE (benzene, toluene, xylene, and ethylbenzene), were also produced. Compared to glycerol as a hydrogen donor, ethanol more effectively increased n-alkane selectivity due to its higher effective hydrogen-to-carbon ratio (H/C eff ). Conversely, glycerol was more advantageous for achieving greater selectivity towards BTXE compounds due to its lower H/C eff , which potentially leads to coke formation. Since aromatic compounds are intermediates in coke production, glycerol provides higher aromatic selectivity than ethanol. Finally, this study presents an alternative pathway for producing diesel fuel from waste cooking oil using ethanol as a hydrogen donor.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Metal hydrides: a historical perspective

Metal hydrides are known for their outstanding performance as materials for hydrogen storage and processing. These materials find applications for short- and long-term energy storage, compression and supply of hydrogen gas, thermal energy storage, as electrodes and electrolytes in rechargeable batteries, for the microstructural optimisation of functional materials, in thin film technologies, as catalysts, getters and in many other uses. After the discovery of the first binary metal hydrides back in the 19th century, their studies covered all possible binary M-H systems and expanded rapidly into the field of ternary hydrides following the recognition of the excellent hydrogen storage performance of LaNi 5 - and TiFe-based materials, which operate efficiently at room temperature and at near-ambient H 2 pressures. This review aims to provide an overview of the early works, as well as selected recent results on various classes of metal hydrides. It also covers the recent activities from the major contributing countries and continents, including USA, Europe, Japan, China and Australia. These studies relate to achieving the hydrogen storage systems goals set by the Department of Energy in the United States which inspired the research activities at the national and international level, through execution of the tasks on hydrogen-based energy storage managed by the International Energy Agency. The review is prepared by international experts in the field and covers the most important past developments and also presents the recent achievements in the field.

08 HYDROGEN↗
DOE OSTI2025

The Effects of Shockwave Pressures on Ultrafast Vibrational Energy Transfer in BNFF, a Hydrogen-Free Energetic Material

Energy conversion in energetic materials from shock-wave-induced lattice compression to bond breaking critically depends on vibrational coupling and energy transfer between intra- and intermolecular vibrations, though the details of the mechanisms remain unknown. Herein, we indirectly tune the strength of intermolecular interactions in 3,4-bis(3-nitrofurazan-4-yl)furoxan (BNFF), a hydrogen-free energetic material characterized by van der Waals interactions, by applying high static pressure using a diamond anvil cell and monitoring vibrational energy transfer (VET) with ultrafast broadband infrared pump–probe spectroscopy. As BNFF is compressed from ambient pressure to 9 GPa, we find that VET accelerates by ∼ 0.9 ps/GPa. Density functional theory is applied in tandem with experiments to assign mode character and elucidate VET pathways. In conclusion, we find that furazan ring O–N–O vibrations, which are high-frequency detonation-relevant vibrational modes, experience increased sensitivity to lattice compression under shockwave pressures. These findings provide new mechanistic insight into how intermolecular interactions govern the rate and selectivity of VET.

Energy transfer↗