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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

The Titan haze revisited: magnetospheric energy sources and quantitative tholin yields

We present laboratory measurements of the radiation yields of complex organic solids produced from N2/CH4 gas mixtures containing 10 or 0.1% CH4. These tholins are thought to resemble organic aerosols produced in the atmospheres of Titan, Pluto, and Triton. The tholin yields are large compared to the total yield of gaseous products: nominally, 13 (C + N)/100 eV for Titan tholin and 2.1 (C + N)/100 eV for Triton tholin. High-energy magnetospheric electrons responsible for tholin production represent a class distinct from the plasma electrons considered in models of Titan's airglow. Electrons with E > 20 keV provide an energy flux approximately 1 x 10(-2) erg cm-2 sec-1, implying from our measured tholin yields a mass flux of 0.5 to 4.0 x 10(-14) g cm-2 sec-1 of tholin. (The corresponding thickness of the tholin sedimentary column accumulated over 4 Gyr on Titan's surface is 4 to 30 m.) This figure is in agreement with required mass fluxes computed from recent radiative transfer and sedimentation models. If, however, these results, derived from experiments at approximately 2 mb, are applied to lower pressure levels toward peak auroral electron energy deposition and scaled with pressure as the gas-phase organic yields, the derived tholin mass flux is at least an order of magnitude less. We attribute this difference to the fact that tholin synthesis occurs well below the level of maximum electron energy deposition and to possible contributions to tholins from UV-derived C2-hydrocarbons. We conclude that Titan tholin, produced by magnetospheric electrons, is alone sufficient to supply at least a significant fraction of Titan's haze--a result consistent with the fact that the optical properties of Titan tholin, among all proposed materials, are best at reproducing Titan's geometric albedo spectrum from near UV to mid-IR in light-scattering models.

Non-NASA Center↗
NASA NTRS1992

The limits of crop productivity: validating theoretical estimates and determining the factors that limit crop yields in optimal environments

Plant scientists have sought to maximize the yield of food crops since the beginning of agriculture. There are numerous reports of record food and biomass yields (per unit area) in all major crop plants, but many of the record yield reports are in error because they exceed the maximal theoretical rates of the component processes. In this article, we review the component processes that govern yield limits and describe how each process can be individually measured. This procedure has helped us validate theoretical estimates and determine what factors limit yields in optimal environments.

NASA Program CELSS↗
NASA NTRS1998

Experimental Techniques Verified for Determining Yield and Flow Surfaces

Structural components in aircraft engines are subjected to multiaxial loads when in service. For such components, life prediction methodologies are dependent on the accuracy of the constitutive models that determine the elastic and inelastic portions of a loading cycle. A threshold surface (such as a yield surface) is customarily used to differentiate between reversible and irreversible flow. For elastoplastic materials, a yield surface can be used to delimit the elastic region in a given stress space. The concept of a yield surface is central to the mathematical formulation of a classical plasticity theory, but at elevated temperatures, material response can be highly time dependent. Thus, viscoplastic theories have been developed to account for this time dependency. Since the key to many of these theories is experimental validation, the objective of this work (refs. 1 and 2) at the NASA Lewis Research Center was to verify that current laboratory techniques and equipment are sufficient to determine flow surfaces at elevated temperatures. By probing many times in the axial-torsional stress space, we could define the yield and flow surfaces. A small offset definition of yield (10 me) was used to delineate the boundary between reversible and irreversible behavior so that the material state remained essentially unchanged and multiple probes could be done on the same specimen. The strain was measured with an off-the-shelf multiaxial extensometer that could measure the axial and torsional strains over a wide range of temperatures. The accuracy and resolution of this extensometer was verified by comparing its data with strain gauge data at room temperature. The extensometer was found to have sufficient resolution for these experiments. In addition, the amount of crosstalk (i.e., the accumulation of apparent strain in one direction when strain in the other direction is applied) was found to be negligible. Tubular specimens were induction heated to determine the flow surfaces at elevated temperatures. The heating system induced a large amount of noise in the data. By reducing thermal fluctuations and using appropriate data averaging schemes, we could render the noise inconsequential. Thus, accurate and reproducible flow surfaces (see the figure) could be obtained.

Lerch, Brad A.↗
NASA NTRS2006

Comparison of Atomic Oxygen Erosion Yields of Materials at Various Energy and Impact Angles

The atomic oxygen erosion yields of various materials, measured in volume of material oxidized per incident atomic oxygen atom, are compared to the commonly accepted standard of Kapton H (DuPont) polyimide. The ratios of the erosion yield of Kapton H to the erosion yield of various materials are not consistent at different atomic oxygen energies. Although it is most convenient to use isotropic thermal energy RF plasma ashers to assess atomic oxygen durability, the results can be misleading because the relative erosion rates at thermal energies are not necessarily the same as low Earth orbital (LEO) energies of approx.4.5 eV. An experimental investigation of the relative atomic oxygen erosion yields of a wide variety of polymers and carbon was conducted using isotropic thermal energy (approx.0.1 eV) and hyperthermal energy (approx.70 eV) atomic oxygen using an RF plasma asher and an end Hall ion source. For hyperthermal energies, the atomic oxygen erosion yields relative to normal incident Kapton H were compared for sweeping atomic oxygen arrival with that of normal incidence arrival. The results of isotropic thermal energy, normal incident, and sweeping incident atomic oxygen are also compared with measured or projected LEO values.

Banks, Bruce A.↗
NASA NTRS2008

Atomic Oxygen Erosion Yield Predictive Tool for Spacecraft Polymers in Low Earth Orbit

A predictive tool was developed to estimate the low Earth orbit (LEO) atomic oxygen erosion yield of polymers based on the results of the Polymer Erosion and Contamination Experiment (PEACE) Polymers experiment flown as part of the Materials International Space Station Experiment 2 (MISSE 2). The MISSE 2 PEACE experiment accurately measured the erosion yield of a wide variety of polymers and pyrolytic graphite. The 40 different materials tested were selected specifically to represent a variety of polymers used in space as well as a wide variety of polymer chemical structures. The resulting erosion yield data was used to develop a predictive tool which utilizes chemical structure and physical properties of polymers that can be measured in ground laboratory testing to predict the in-space atomic oxygen erosion yield of a polymer. The properties include chemical structure, bonding information, density and ash content. The resulting predictive tool has a correlation coefficient of 0.914 when compared with actual MISSE 2 space data for 38 polymers and pyrolytic graphite. The intent of the predictive tool is to be able to make estimates of atomic oxygen erosion yields for new polymers without requiring expensive and time consumptive in-space testing.

Bank, Bruce A.↗
NASA NTRS1960

Criteria for Yielding of Dispersion-Strengthened Alloys

A dislocation model is presented in order to account for the yield behavior of alloys with a finely dispersed second-phase. The criteria for yielding used in the model, is that appreciable yielding occurs in these alloys when the shear stress due to piled-up groups of dislocations is sufficient to fracture or plastically deform the dispersed second-phase particles, relieving the back stress on the dislocation sources. Equations derived on the basis of this model, predict that the yield stress of the alloys varies as the reciprocal square root of the mean free path between dispersed particles. Experimental data is presented for several SAP-Type alloys, precipitation-hardened alloys and steels which are in good agreement with the yield strength variation as a function of dispersion spacing predicted by this theoretical treatment.

Ansell, G. S.↗
NASA NTRS2016

Atomic Oxygen Erosion Yield Dependence Upon Texture Development in Polymers

The atomic oxygen erosion yield (volume of a polymer that is lost due to oxidation per incident atom) of polymers is typically assumed to be reasonably constant with increasing fluence. However polymers containing ash or inorganic pigments, tend to have erosion yields that decrease with fluence due to an increasing presence of protective particles on the polymer surface. This paper investigates two additional possible causes for erosion yields of polymers that are dependent upon atomic oxygen. These are the development of surface texture which can cause the erosion yield to change with fluence due to changes in the aspect ratio of the surface texture that develops and polymer specific atomic oxygen interaction parameters. The surface texture development under directed hyperthermal attack produces higher aspect ratio surface texture than isotropic thermal energy atomic oxygen attack. The fluence dependence of erosion yields is documented for low Kapton H (DuPont, Wilmington, DE) effective fluences for a variety of polymers under directed hyperthermal and isotropic thermal energy attack.

oxygen atoms↗
NASA NTRS2017

The Uncertainty of Crop Yield Projections Is Reduced by Improved Temperature Response Functions

Increasing the accuracy of crop productivity estimates is a key element in planning adaptation strategies to ensure global food security under climate change. Process-based crop models are effective means to project climate impact on crop yield, but have large uncertainty in yield simulations. Here, we show that variations in the mathematical functions currently used to simulate temperature responses of physiological processes in 29 wheat models account for is greater than 50% of uncertainty in simulated grain yields for mean growing season temperatures from 14 C to 33 C. We derived a set of new temperature response functions that when substituted in four wheat models reduced the error in grain yield simulations across seven global sites with different temperature regimes by 19% to 50% (42% average). We anticipate the improved temperature responses to be a key step to improve modelling of crops under rising temperature and climate change, leading to higher skill of crop yield projections.

Wang, Enli↗
NASA NTRS2020

Modelling climate change impacts on maize yields under low nitrogen input conditions in sub‐Saharan Africa

Smallholder farmers in sub‐Saharan Africa (SSA) currently grow rainfed maize with limited inputs including fertilizer. Climate change may exacerbate current production constraints. Crop models can help quantify the potential impact of climate change on maize yields, but a comprehensive multimodel assessment of simulation accuracy and uncertainty in these low‐input systems is currently lacking. We evaluated the impact of varying [CO2], temperature and rainfall conditions on maize yield, for different nitrogen (N) inputs (0, 80, 160 kg N/ha) for five environments in SSA, including cool subhumid Ethiopia, cool semi‐arid Rwanda, hot subhumid Ghana and hot semi‐arid Mali and Benin using an ensemble of 25 maize models. Models were calibrated with measured grain yield, plant biomass, plant N, leaf area index, harvest index and in‐season soil water content from 2‐year experiments in each country to assess their ability to simulate observed yield. Simulated responses to climate change factors were explored and compared between models. Calibrated models reproduced measured grain yield variations well with average relative root mean square error of 26%, although uncertainty in model prediction was substantial (CV = 28%). Model ensembles gave greater accuracy than any model taken at random. Nitrogen fertilization controlled the response to variations in [CO2], temperature and rainfall. Without N fertilizer input, maize (i) benefited less from an increase in atmospheric [CO2], (ii) was less affected by higher temperature or decreasing rainfall and (iii) was more affected by increased rainfall because N leaching was more critical. The model inter-comparison revealed that simulation of daily soil N supply and N leaching plays a crucial role in simulating climate change impacts for low-input systems. Climate change and N input interactions have strong implications for the design of robust adaptation practices across SSA, because the impact of climate change will be modified if farmers intensify maize production with more mineral fertilizer.

Crop simulation model↗
NASA NTRSDate not supplied

Predicting Char Yield of High-Temperature Resins

A simulation protocol is developed to predict the char yield of organic resins during high-temperature processing. Such in silico methods can help screen promising new formulations for advanced materials, but previously no chemistry-sensitive technique existed to predict the important experimental value of char yield. The method utilizes a reactive force field (ReaxFF) to model the chemical transformation of precursor monomers into carbonized structures during three processing stages: ramp-up to processing temperatures (~3000 K), pyrolysis, and quenching. Achieving good agreement with experimental char yields requires continuous removal of small byproduct molecules to mimic outgassing, and the application of high pressure to eliminate porosity and encourage graphitization. More than ten different resin chemistries are investigated, including arylacetylenes, cyanate esters, phthalonitriles, and polyimides, representing a diverse group of precursors with respect to initial cyclic content, heteroatoms and reactive groups. The protocol correctly predicts the relative char yield between the investigated chemistries and provides quantitative agreement with experimental values, especially for high char yield resins. The properties of the resins during processing are compared, including outgassing products, morphology of the final chemical configurations, cyclic content and mechanical properties.

polymer simulations, molecular dynamics↗
NASA NTRSDate not supplied

Predicting Char Yield of High-Temperature Resins

A simulation technique has been developed for predicting the char yield of organic resins during high-temperature processing. In silico methods can aid in the screening of new advanced materials for a number of important properties, but no chemistry-sensitive protocol currently exists for predicting the important experimental value of char yield. The proposed method utilizes a reactive force field (ReaxFF) to model the chemical transformation of precursor monomers into carbonized structures during three processing stages: ramp-up to pyrolysis temperatures (~3000 K), pyrolysis, and quenching. Achieving good agreement with experimental char yields requires continuous removal of small by-product molecules to mimic outgassing, and the application of high pressure to encourage the formation of a dense, glassy network. Six different resin chemistries were investigated: an ethynyl, a phenylethynyl, a cyanate ester, a phthalonitrile, acrylonitrile, and adamantane. These candidates represent a diverse group of precursors with respect to initial cyclic content, presence of heteroatoms, and types of reactive groups. The protocol developed accurately predicts the relative char yield between the investigated chemistries and provides quantitative agreement with experimental values, especially for high char yield resins. Several simulated properties of the carbonized structures are compared with experimental results, including outgassing products, morphology of the final chemical configurations, cyclic content, and mechanical properties.

polymer simulations, molecular dynamics↗
NASA NTRSDate not supplied

Predicting Char Yield of High-Temperature Resins

A simulation protocol is developed to predict the char yield of organic resins during high-temperature processing. Simulation protocol in silico methods can help screen promising new formulations for advanced materials, but previously no chemistry-sensitive technique existed to predict the important experimental value of char yield. The method utilizes a reactive force field (ReaxFF) to model the chemical transformation of precursor monomers into carbonized structures during three processing stages: ramp-up to processing temperatures (~3000 K), pyrolysis, and quenching. Achieving good agreement with experimental char yields requires continuous removal of small byproduct molecules to mimic outgassing, and the application of high pressure to eliminate porosity and encourage graphitization. More than ten different resin chemistries are investigated, including arylacetylenes, cyanate esters, phthalonitriles, and polyimides, representing a diverse group of precursors with respect to initial cyclic content, heteroatoms and reactive groups. The protocol correctly predicts the relative char yield between the investigated chemistries and provides quantitative agreement with experimental values, especially for high char yield resins. The properties of the resins during processing are compared, including outgassing products, morphology of the final chemical configurations, cyclic content and mechanical properties.

polymer simulations, molecular dynamics↗
NASA NTRSDate not supplied

Science Yield Estimates and Sensitivities With the AstroPIC Integrated Photonic Coronagraph for the Habitable Worlds Observatory

The Habitable Worlds Observatory (HWO) flagship has a goal to survey ~100 of the nearest stellar systems and their habitable zones in order to detector and spectroscopically characterize ~25 potentially “Earth-like planets” (or “Exoearths”). The HWO telescope will feature a >6-m diameter aperture and a coronagraph that will suppress starlight by ten orders of magnitude to enable the detection and characterization of Earth analogues in the habitable zone. Three Exploratory Analytic Cases (EACs) are currently considering different aperture configurations for HWO including on-axis and off-axis apertures and both different hexagonal and keystone segmentation configurations. Photonic Integrated Circuits (PICs) offer a path to miniaturize traditional, bulk optics coronagraph functionality reducing risk margins and increasing mission science exoearth yields for the HWO mission. We have developed a simulation pipeline that enables evaluation of the AstroPIC photonic integrated coronagraph through to estimates mission yields. We present sensitivities to aberrations for different types of segmentation and low-order aberrations for HWO EACs demonstrating that AstroPIC is suitable for both on-axis and off-axis configurations. We perform a parametric sweep of the exoearth science yield sensitivities in terms of key coronagraph parameters including coronagraphic end-to-end throughput, inner working angle, robustness to aberrations, and bandwidth. We consider both a hybrid and a pure photonic architecture; a pure integrated photonic architecture provides the greatest potential in science yield improvements, although a hybrid PIC limited in its numbers of modes can provide complementary science to a traditional, bulk-optic coronagraph and increasing the estimated science yield when operated jointly.

Photonics↗
DOE OSTI2025

Radiation-Induced Chemical Yields of Carbon-Centered Radicals and Hydrogen Atoms from the Gamma Irradiation of n -Dodecane

Here, this study investigates the radiolytic yields of carbon-centered radicals and hydrogen atoms in n-dodecane under gamma irradiation. Utilizing molecular iodine (I 2 ) and 2,4,6-tri-tert-butylnitrosobenzene (3tBNB) as radical scavengers, we quantified the yields of molecular hydrogen and various carbon-centered radicals formed from bond scission of the solvent excited states. The yield of primary alkyl radicals was significantly lower than that of the secondary radicals, aligning with expected stabilities and bond dissociation energies. For the overall loss of n-dodecane, total yields of 0.598 ± 0.004 species/100 eV for C–C bond scission, 1.648 ± 0.012 species/100 eV for C–H bond scission, and 3.20 ± 0.10 species/100 eV for unimolecular H 2 elimination were determined. Notably, the I 2 scavenging data provided robust estimates, while the 3tBNB displayed lower efficiency in radical trapping. This research enhances our understanding of radiolytic processes in n-dodecane and offers insights for future studies on the behavior of hydrocarbons under ionizing radiation, with implications for improving UNF reprocessing strategies.

38 - RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCL↗
DOE OSTI2024

Ligand‐Mediated Quantum Yield Enhancement in 1‐D Silver Organothiolate Metal–Organic Chalcogenolates

X-ray free electron laser (XFEL) microcrystallography and synchrotron single-crystal crystallography are used to evaluate the role of organic substituent position on the optoelectronic properties of metal–organic chalcogenolates (MOChas). MOChas are crystalline 1D and 2D semiconducting hybrid materials that have varying optoelectronic properties depending on composition, topology, and structure. While MOChas have attracted much interest, small crystal sizes impede routine crystal structure determination. A series of constitutional isomers where the aryl thiol is functionalized by either methoxy or methyl ester are solved by small molecule serial femtosecond X-ray crystallography (smSFX) and single crystal rotational crystallography. While all the methoxy examples have a low quantum yield (0-1%), the methyl ester in the ortho position yields a high quantum yield of 22%. Here, the proximity of the oxygen atoms to the silver inorganic core correlates to a considerable enhancement of quantum yield. Four crystal structures are solved at a resolution range of 0.8–1.0 Å revealing a collapse of the 2D topology for functional groups in the 2- and 3- positions, resulting in needle-like crystals. Further analysis using density functional theory (DFT) and many-body perturbation theory (MBPT) enables the exploration of complex excitonic phenomena within easily prepared material systems.

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

Substituent effect on napthodithiophene-fused porphyrins: Understanding the unusual trend of fluorescence quantum yield quenching

A series of π-extended porphyrins containing thiophene units was prepared to investigate an unusual trend observed in the fluorescence quantum yield of naphtho[2,1-b:3,4-b']dithiophene-fused porphyrins. Monobenzoporphyrins carrying 2-thiophenyl (vinyl thiophene porphyrin) groups (2VTP, 2VTBr and Br2VTP) (numbering 2 and 3 refers to the position of sulfur on the thiophene ring) were synthesized through a Heck-based cascade reaction followed by a newly developed bromination method. These were converted to naphtho[2,1-b:3,4-b']dithiophene-fused porphyrin derivatives (FBr2VTP and F2VTBr) via ring closure with an intramolecular Scholl reaction. Increasingly larger Stokes shifts with a higher number of bromo groups were observed in the unfused π-extended molecular systems, reflecting the heavy atom effect. Fluorescence spectroscopy further confirmed the unusual trend seen in the previous work: structural rigidification in naphtho[2,1-b:3,4-b']dithiophene-fused porphyrins leads to longer fluorescence lifetimes but unexpectedly lowers the quantum yield. Adding one bromo group to the naphtho[2,1-b:3,4-b']dithiophene unit does not change this trend. Furthermore, the presence of two bromo groups prevents the quantum yield from dropping. DFT, TDDFT, and NICS analyses suggest a drastic change in aromaticity in the pyrrole ring where the naphtho[2,1-b:3,4-b']dithiophene is fused in FBr2VTP, which might contribute to the quantum yield reductions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Biomass yield potential, feedstock quality, and nutrient removal of perennial buffer strips under continuous zero fertilizer application

Perennial-based buffer strips have been promoted as having the potential for improving ecosystem services from riparian areas while producing biomass as livestock feed or as a bioenergy feedstock. Both biomass production and nutrient removal of buffer strips are substantially influenced by the vegetation types for the multipurpose perennial buffers. In this 2016–2019 study in western Illinois, two perennial cropping systems, including forage crops composed of cool-season grass mixtures (forage system) and bioenergy crops made up of warm-season grass mixtures (bioenergy system), were used to establish buffer strips for assessing biomass production, feedstock quality, nutrient removal, and buffer longevity. Treatments for this study reflecting agronomic practices included (1) two harvests occurring in summer (at anthesis) and fall (after complete senescence) and (2) one harvest in fall for the forage system (two-cut vs. one-cut forage) and (3) one fall harvest for the bioenergy system (one-cut bioenergy). Successively harvesting without any fertilizer input resulted in a yield decline in forage biomass over 3 years by approximately 30 % (6.3 to 4.4 Mg DM ha –1 (dry matter) with a rate of 1.0 Mg ha –1 yr –1 ) in the two-cut forage and by 35 % (4.9 to 3.2 Mg DM ha –1 with a rate of 0.9 Mg ha –1 yr –1 ) in the one-cut forage systems. The feed quality also decreased over the years by showing declined rates of 12.9 (crucial protein), 0.9 (calcium), 0.7 (copper), and 1.3 g kg –1 DM yr –1 (zinc). Empirical models predicted enteric CH 4 emissions from cattle ranged from 225.7 to 242.6 g per cow per day based on the feed nutritive values. In contrast, bioenergy biomass yield increased by 27 % from 4.9 to 6.7 Mg DM ha –1 with a consistent quality (cellulose of ~ 397.9 g kg –1 ; hemicellulose of ~ 299.4 g kg –1 ), corresponding to the increased total theoretical ethanol yield from 1.8 × 10 3 to 2.4 × 10 3 L ha –1 (~ 33 % increase). Annual nutrient removals of N, P, K, Ca, and Mg were significantly higher in the forage systems (e.g., two-cut: 52.6–106.9 kg N ha –1 ; one-cut: 44.5–84.1 kg N ha –1 ) than those in the bioenergy system (e.g., 25.9–34.4 kg N ha –1 ); however, the removal rate declined rapidly over 3 years (e.g., ~ 49 % reduction) as the annual biomass yield declined in the forage systems. This on-farm field study demonstrated the potential of the perennial crop used as buffer strip options for biomass production and buffer sustainability at the edge of the field.

09 BIOMASS FUELS↗
NASA NTRS2016

Similar Estimates of Temperature Impacts on Global Wheat Yield by Three Independent Methods

The potential impact of global temperature change on global crop yield has recently been assessed with different methods. Here we show that grid-based and point-based simulations and statistical regressions (from historic records), without deliberate adaptation or CO2 fertilization effects, produce similar estimates of temperature impact on wheat yields at global and national scales. With a 1 C global temperature increase, global wheat yield is projected to decline between 4.1% and 6.4%. Projected relative temperature impacts from different methods were similar for major wheat-producing countries China, India, USA and France, but less so for Russia. Point-based and grid-based simulations, and to some extent the statistical regressions, were consistent in projecting that warmer regions are likely to suffer more yield loss with increasing temperature than cooler regions. By forming a multi-method ensemble, it was possible to quantify 'method uncertainty' in addition to model uncertainty. This significantly improves confidence in estimates of climate impacts on global food security.

Climate impacts↗