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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Analysis of Ag/FEP Thermal Control Blanket Performance From Multiple Satellites

Materials performance data from operational spacecraft and spacecraft experiments has slowly accumulated over the years. Much of this data is obtained indirectly by analyzing temperature measurements telemetered to ground. Due to the Space Transportation System (STS) program, materials performance data has also been obtained by flying materials on satellites, or on the Space Shuttle itself, for limited periods of time, and then returning the materials to ground for post-flight examination. During the course of NASA contract NAS8-98213, the authors have extended the analysis of data reported for selected materials flown on a variety of spacecraft over the past 30 years. In this paper we discuss changes in two properties of silver- or aluminum-backed (metallized) FEP Teflon due to exposure to specific environmental factors on-orbit. First, the change in solar absorptance (alpha(sub s)) of metallized FEP Teflon as a function of particulate radiation will be discussed. Data providing the change in solar absorptance of metallized FEP as a function of days on orbit has been published for NTS-2 satellite, several NavStar Global Positioning Satellites (GPS), the SCATHA experiment, and the ML-101 satellite. The unique approach that we have taken is to calculate the absorbed radiation dose within the Ag/FEP for the various satellite orbits, and to plot the change in solar absorptance, alpha(sub s), as a function of the dose; the behavior agrees with the same data from laboratory tests. Second, the variation of the atomic oxygen induced material recession rate of metallized FEP will be discussed. Data from certain Space Shuttle flights, a Lockheed experiment [approximately 105 days in low Earth orbit (LEO)], and the Long Duration Exposure Facility allows the variation of the material recession rate of Ag/FEP to be estimated under conditions that include atomic oxygen exposure.

Pippin, Gary↗
NASA NTRS1999

UV Spectral Variability and the Lyman-Alpha Forest in the Lensed Quasar Q0957+561

Far-ultraviolet spectra of the gravitational lens components Q0957+561 A and B were obtained with the Hubble Space Telescope Faint Object Spectrograph (FOS) at five equally spaced epochs, one every two weeks. We confirm the flux variability of the quasar's Lyman-alpha and O VI lambda 1037 emission lines reported in IUE (International Ultraviolet Explorer) spectra. The fluxes in these lines vary on a time scale of weeks in the local rest frame (LRF), independently of each other and of the surrounding continuum. The individual spectra of each image were co-added to investigate the properties of the Lyman-alpha forest along the two lines of sight to the quasar. Absorption lines having equivalent width W (sub lambda) greater than or equal to 0.3 Angstroms in the LRF not previously identified as interstellar lines, metal lines, or higher order Lyman lines were taken to be LY-alpha forest lines. The existence of each line in this consistently selected set was then verified by its presence in two archival FOS spectra with approx. 1.5 times higher signal to noise than our co-added spectra. Ly-alpha forest lines with W (sub lambda) greater than or equal to 0.3 Angstroms appear at 42 distinct wavelengths in the spectra of the two images. Two absorption lines in the spectrum of image A have no counterpart at that wavelength in the spectrum of image B, and two lines in image B have no counterpart in image A. Based on the separation of the lines of sight at the redshift of the absorption lines appearing in only one spectrum, the density of the absorbing clouds in the direction of Q0957+561 must change significantly over a distance of 79 (+34, -26) h (sub 50) (sup -1) kpc in the simplified model where the absorbers are treated as spherical clouds and the characteristic dimension is the radius. (We adopt H (sub 0)= 50 h (sub 50) km s (sup -1) kpc (sup -1), q (sub 0) = 1/2, and LAMBDA = 0 throughout the paper.) The two limits define the 68% confidence interval on the characteristic dimension, equivalent to the 1 sigma confidence interval for a Gaussian distribution. The 95% confidence interval extends from (32 - 250) h (sub 50) (sup -1) kpc. We show in the Appendix that the fraction of Ly-alpha forest lines that appear in only one spectrum can be expressed as a rapidly converging power series in 1/r, where r the ratio of the radius of the cloud to the separation of the two LOS at the redshift of the cloud. This power series can be rewritten to give r in terms of the fraction of Ly-alpha forest wavelengths that appear in the spectrum of only one image. A simple linear approximation to the solution which everywhere agrees with the power series solution to better than 0.8% for r greater than or equal to 2 is derived in the Appendix.

Dolan, J. F.↗
NASA NTRS2002

Foot Comfort for the Fashionable

Modellista Footwear's new shoe line uses Tempur(TM) material, which conforms to each wearer's unique foot shape to absorb shock and cushion the foot. The foam's properties allow the shoe to change with the wearer's foot as it shrinks and swells throughout the day. Scientists at NASA's Ames Research Center originally developed temper foam in the early 1970s to relieve the intense pressure of G-forces experienced by astronauts during rocket launches. Tempur-Pedic, Inc., further developed the foam and granted Modellista a license to use it in footwear. The Modellista collection is the first shoe design and construction to be certified by the Space Awareness Alliance. The shoes, with designs ranging from traditional clog shapes to sling backs and open-toe sandals, are currently available nationwide at select specialty shoe stores and through catalogs. Tempur(TM) is a registered trademark of Tempur-Pedic, Inc.

Source record↗
NASA NTRS2001

ASCA Observation of an "X-Ray Shadow" in the Galactic Plane

The diffuse X-ray background (DXB) emission near the Galactic plane (l,b approximately 25.6 degrees, 0.78 degrees) has been observed with ASCA (Advanced Satellite for Cosmology and Astrophysics). The observed region is toward a Galactic molecular cloud which was recently reported to cast a deep X-ray shadow in the 0.5 - 2.0 keV band DXB. The selection of this particular region is intended to provide a constraint on the spatial distribution of the DXB emission along the line of sight: i.e., the molecular cloud is optically thick at <2 keV and so the bulk of the observed soft X-rays must originate in the foreground of the cloud, which is at approximately 3 kpc from the Sun. In the 0.8 - 9.0 keV band, the observed spectrum is primarily from multiple components of thermal plasmas. We here report a detection of soft X-ray (0.5 - 2 keV) emission from an approximately 10(exp 7) K thermal plasma. Comparisons with the ROSAT (Roentgen Satellite) data suggest that this soft X-ray emission is absorbed by N(sub H) = 1 - 3 x 10(exp 21) cm(exp -2), which implies a path-length through the soft X-ray emitting regions of approximately less than 1 kpc from the Sun.

Park, Sangwook↗
NASA NTRS2007

The XMM-Newton Extended Survey of the Taurus Molecular Cloud (XEST)

The Taurus Molecular Cloud (TMC) is the nearest large star-forming region, prototypical for the distributed mode of low-mass star formation. Pre-main sequence stars are luminous X-ray sources, probably mostly owing to magnetic energy release. Aims. The XMM-Newton Extended Survey of the Taurus Molecular Cloud (EST) presented in this paper surveys the most populated =5 square degrees of the TMC, using the XMM-Newton X-ray observatory to study the thermal structure, variability, and long-term evolution of hot plasma, to investigate the magnetic dynamo, and to search for new potential members of the association. Many targets are also studied in the optical, and high-resolution X-ray grating spectroscopy has been obtained for selected bright sources. Methods. The X-ray spectra have been coherently analyzed with two different thermal models (2-component thermal model, and a continuous emission measure distribution model). We present overall correlations with fundamental stellar parameters that were derived from the previous literature. A few detections from Chandra observations have been added. Results. The present overview paper introduces the project and provides the basic results from the X-ray analysis of all sources detected in the XEST survey. Comprehensive tables summarize the stellar properties of all targets surveyed. The survey goes deeper than previous X-ray surveys of Taurus by about an order of magnitude and for the first time systematically accesses very faint and strongly absorbed TMC objects. We find a detection rate of 85% and 98% for classical and weak-line T Tau stars (CTTS resp. WTTS), and identify about half of the surveyed protostars and brown dwarfs. Overall, 136 out of 169 surveyed stellar systems are detected. We describe an X-ray luminosity vs. mass correlation, discuss the distribution of X-ray-to-bolometric luminosity ratios, and show evidence for lower X-ray luminosities in CTTS compared to WTTS. Detailed analysis (e.g., variability, rotation-activity relations, influence of accretion on X-rays) will be discussed in a series of accompanying papers.

Guedel, M.↗
DOE OSTI2024

Modification of CO2/H2O Selectivity of Polymer Through Graphene Coating for Carbon Capture Materials

A harmful issue that needs attention and solution is the rising carbon dioxide (CO2) in our atmosphere. Carbon dioxide in our atmosphere is at an all time high and has continuously increased since the industrial revolution. It has increased tremendously going from 315 parts per million (ppm) in the 1960s up to 419.3 ppm in 2023 as shown in Figure 1. Moreover, CO2 emissions have increased from 11 billion tons/year in the 1960s to 38.6 billion tons/year in 2023. The increase in CO2 found in our atmosphere has a number of detrimental effects such as increase in global temperatures and an increase in the ocean’s acidity. Human activities are greatly involved in the cause of CO2 emissions. At Lawrence Livermore National Lab (LLNL) the Microencapsulated CO2 sorbents (MECS) division has been doing research and investigating formulations for their microcapsules. MECS are core-shell microcapsules consisted of a highly permeable polymer shell and a fluid (sodium carbonate solution) that reacts and absorbs carbon dioxide. An example of the microcapsules are shown in Figure 2. Equation 1 shows the chemical reaction of the fluid (sodium carbonate) contained in the polymer shell that acts as the carbon dioxide sorbent and becomes sodium bicarbonate. The LLNL MECS team is in the process of scaling up their microcapsules for potential applications in “carbon capture from flue gas streams generated by fossil fuel combustion in industrial plants and operations, carbon capture in breweries and soft drink manufacture, carbon capture directly from indoor air to improve its quality”. The microcapsule’s possibility for commercial applications was discovered in 2017.

36 MATERIALS SCIENCE↗
NASA NTRS2000

Recent Results for AGN Observed by the Rossi X-Ray Timing Explorer

The Rossi X-ray Timing Explorer (RXTE) has produced many excellent observations of active galaxies, providing the best sensitivity in the 10 - 20 keV range so far. This presentation reports selected RTXE data for AGN in the context of the currently popular models. One is the recent result for two Seyfert 1 galaxies, NGC 5548 and IC4329a: both show the "canonical" Seyfert I X-ray spectra, with an underlying power law, plus Gaussian iron K line and Compton reflection. Interestingly, in both cases, the profile of the Fe K line does not extend as far to the red as seen in the famous NCG-6-30-15, and this indicates that the regions where the Fe K lines originate in AGN are diverse. Independently, in both objects we see a strong spectral variability of the primary continua, which soften as the sources brighten. The second result is for the heavily absorbed Seyfert 2 NGC 4945. The RXTE data confirm the strong absorption corresponding to the optical depth to electron scattering of about 2, but also reveal rapid variability of the hard (8-30 keV) X-ray emission on a time scale of a day or less. This suggests that for NGC 4945, the putative parsec-size molecular torus cannot be both geometrically and optically thick, and implies that the Cosmic X-ray Background is unlikely to be made up primarily of AGN with geometry as inferred for this object.

Madejski, G. M.↗
NASA NTRS2007

Global Aerosol Optical Models and Lookup Tables for the New MODIS Aerosol Retrieval over Land

Since 2000, MODIS has been deriving aerosol properties over land from MODIS observed spectral reflectance, by matching the observed reflectance with that simulated for selected aerosol optical models, aerosol loadings, wavelengths and geometrical conditions (that are contained in a lookup table or 'LUT'). Validation exercises have showed that MODIS tends to under-predict aerosol optical depth (tau) in cases of large tau (tau greater than 1.0), signaling errors in the assumed aerosol optical properties. Using the climatology of almucantur retrievals from the hundreds of global AERONET sunphotometer sites, we found that three spherical-derived models (describing fine-sized dominated aerosol), and one spheroid-derived model (describing coarse-sized dominated aerosol, presumably dust) generally described the range of observed global aerosol properties. The fine dominated models were separated mainly by their single scattering albedo (omega(sub 0)), ranging from non-absorbing aerosol (omega(sub 0) approx. 0.95) in developed urban/industrial regions, to neutrally absorbing aerosol (omega(sub 0) approx.90) in forest fire burning and developing industrial regions, to absorbing aerosol (omega(sub 0) approx. 0.85) in regions of savanna/grassland burning. We determined the dominant model type in each region and season, to create a 1 deg. x 1 deg. grid of assumed aerosol type. We used vector radiative transfer code to create a new LUT, simulating the four aerosol models, in four MODIS channels. Independent AERONET observations of spectral tau agree with the new models, indicating that the new models are suitable for use by the MODIS aerosol retrieval.

Levy, Robert C.↗
NASA NTRS2013

Analysis of Water Recovery Rate from the Heat Melt Compactor

Human space missions generate trash with a substantial amount of plastic (20% or greater by mass). The trash also contains water trapped in food residue and paper products and other trash items. The Heat Melt Compactor (HMC) under development by NASA Ames Research Center (ARC) compresses the waste, dries it to recover water and melts the plastic to encapsulate the compressed trash. The resulting waste disk or puck represents an approximately ten-fold reduction in the volume of the initial trash loaded into the HMC. In the current design concept being pursued, the trash is compressed by a piston after it is loaded into the trash chamber. The piston face, the side walls of the waste processing chamber and the end surface in contact with the waste can be heated to evaporate the water and to melt the plastic. Water is recovered by the HMC in two phases. The first is a pre-process compaction without heat or with the heaters initially turned on but before the waste heats up. Tests have shown that during this step some liquid water may be expelled from the chamber. This water is believed to be free water (i.e., not bound with or absorbed in other waste constituents) that is present in the trash. This phase is herein termed Phase A of the water recovery process. During HMC operations, it is desired that liquid water recovery in Phase A be eliminated or minimized so that water-vapor processing equipment (e.g., condensers) downstream of the HMC are not fouled by liquid water and its constituents (i.e., suspended or dissolved matter) exiting the HMC. The primary water recovery process takes place next where the trash is further compacted while the heated surfaces reach their set temperatures for this step. This step will be referred to herein as Phase B of the water recovery process. During this step the waste chamber may be exposed to different selected pressures such as ambient, low pressure (e.g., 0.2 atm), or vacuum. The objective for this step is to remove both bound and any remaining free water in the trash by evaporation. The temperature settings of the heated surfaces are usually kept above the saturation temperature of water but below the melting temperature of the plastic in the waste during this step to avoid any encapsulation of wet trash which would reduce the amount of recovered water by blocking the vapor escape. In this paper, we analyze the water recovery rate during Phase B where the trash is heated and water leaves the waste chamber as vapor, for operation of the HMC in reduced gravity. We pursue a quasi-one-dimensional model with and without sidewall heating to determine the water recovery rate and the trash drying time. The influences of the trash thermal properties, the amount of water loading, and the distribution of the water in the trash on the water recovery rates are determined.

Heat Melt Compactor↗
NASA NTRS1986

Clay energetics in chemical evolution

Clays have been implicated in the origin of terrestrial life since the 1950's. Originally they were considered agents which aid in selecting, concentrating and promoting oligomerization of the organic monomeric substituents of cellular life forms. However, more recently, it has been suggested that minerals, with particular emphasis on clays, may have played a yet more fundamental role. It has been suggested that clays are prototypic life forms in themselves and that they served as a template which directed the self-assembly of cellular life. If the clay-life theory is to have other than conceptual credibility, clays must be shown by experiment to execute the operations of cellular life, not only individually, but also in a sufficiently concerted manner as to produce some semblance of the functional attributes of living cells. Current studies are focussed on the ability of clays to absorb, store and transfer energy under plausible prebiotic conditions and to use this energy to drive chemistry of prebiotic relevance. Conclusions of the work are applicable to the role of clays either as substrates for organic chemistry, or in fueling their own life-mimetic processes.

Coyne, L. M.↗
NASA NTRS2005

Acoustic Emission Weld Monitoring in the 2195 Aluminum-Lithium Alloy

Due to its low density, the 2195 aluminum-lithium alloy was developed as a replacement for alloy 2219 in the Space Shuttle External Tank (ET). The external tank is the single largest component of the space shuttle system. It is 154 feet long and 27.6 feet in diameter, and serves as the structural backbone for the shuttle during launch, absorbing most of the 7 million plus pounds of thrust produced. The almost 4% decrease in density between the two materials provides an extra 7500 pounds of payload capacity necessary to put the International Space Station components into orbit. The ET is an all-welded structure; hence, the requirement is for up to five rewelds without hot cracking. Unfortunately, hot cracking during re-welding or repair operations was occurring and had to be dealt with before the new super lightweight tank could be used. Weld metal porosity formation was also of concern because it leads to hot cracking during weld repairs. Accordingly, acoustic emission (AE) nondestructive testing was employed to monitor the formation of porosity and hot cracks in order to select the best filler metal and optimize the weld schedule. The purpose of this work is to determine the feasibility of detecting hot cracking in welded aluminum-lithium (Al-Li) structures through the analysis of acoustic emission data. By acoustically characterizing the effects of reheating during a repair operation, the potential for hidden flaws coalescing and becoming "unstable" as the panel is repaired could be reduced. Identification of regions where microcrack growth is likely to occur and the location of active flaw growth in the repair weld will provide the welder with direct feedback as to the current weld quality enabling adjustments to the repair process be made in the field. An acoustic emission analysis of the source mechanisms present during welding has been conducted with the goals of locating regions in the weld line that are susceptible to damage from a repair operation, identifying the formation of critically sized flaws and providing accept/reject criteria for the quality of a weld as it is performed.

Walker, James L.↗
NASA NTRSDate not supplied

VERNE: Revealing the Mysteries and Histories of Venus

Introduction: The three Venus missions that were recently selected for upcoming flight (VERITAS, DAVINCI+, and EnVision) will be incredibly valuable to our understanding of Venus’ history, geology, and atmosphere. However, even once completed, key gaps in our knowledge of Venus, and more generally the formation and active processes on rocky, Earth-like planets, will still persist. Remaining questions include 1) how global intrinsic magnetic fields might be maintained on rocky worlds, and how they could then go extinct, and 2) what role atmospheric sulfur chemistry plays in climates of Earth-like planets, which is an increasingly timely subject as Earth’s own atmospheric sulfur content is climbing due to human activity. These questions require in-situ observations from Venus’ cloud deck, at the altitudes at which the UV absorber exists. The Venus Environment Research and Novel Exploration (VERNE) mission will address these questions with an aerial platform that will drift around the equatorial region of the planet for 9 days. VERNE will collect data to determine the identity of the mysterious UV absorber, while also taking magnetic field measurements over the tesserae, the regions on Venus that are most likely to retain remanent crustal magnetization, in order to understand the potential role of a past intrinsically-generated global magnetic field on Venus. Mission Objectives: The two major science objectives that drive the VERNE mission are: 1) Determine the identity of the Venusian unknown ultraviolet absorber(s). First observed approximately a century ago [1], the composition of Venus’ ultraviolet (UV) absorber is one of the oldest mysteries in Venus atmospheric chemistry [2,3]. While several candidate UV absorbers (mostly sulfur species) have been proposed, no consensus has been reached on its composition and its specific interactions with the atmosphere. Determining the identity of the UV absorber will aid climate models by showing how and where incident solar energy is absorbed by the atmosphere and make progress towards understanding the chemical and energetic processes taking place above Venus’ upper cloud deck [4]. 2) Determine if Venus retains evidence of a past, internally-generated magnetic field. While Venus does not currently have an intrinsically-generated magnetic field, evidence for the existence of a past field on Venus and a timeline of its decay will fill in a more holistic picture of the evolution of Venus’ geological record and atmosphere. As the oldest geologic units on the surface, Venus’ tesserae may still have remanent crustal magnetization signatures within the rocky composition [5]. In any case, the signatures detected will provide insight into Venus’ past geological and core dynamo activity. Mission Summary: VERNE includes a 3-part flight system made up of 1) an entry system with a HEEET (Heatshield for Extreme Entry Environment Technology) aeroshell, 2) an orbiter for data relay, and 3) an in-situ balloon and gondola. After entry into Venus’ atmosphere, the balloon will be deployed within the upper cloud deck, at an altitude of 62 km, over a tesserae region. The in-situ data collection will last for the duration of 2 full circumnavigations of the planet, which will take ~9 days. Instrumentation Suite: The four instruments that comprise VERNE’s instrument payload will enable the identification of the unknown UV absorber and the detection of remanent crustal magnetization if it exists in the tesserae. The proposed instrument suite cycle during mission operations is shown in Fig. 1. The four instruments are described below: 1) Adams (ion neutral mass spectrometer) has a range of 18-257 AMU and will detect and distinguish the mixing ratios of O₂, H₂O, H₂SO₄, S, S₂, S₃, S₄, S₅, S₆, S₇, S₈, SO, SO₂, OSSO, SO₃, Cl₂, FeCl₃ and other trace sulfur and organic species. The spatial (longitudinal) and temporal (day/night) variations will be observed throughout 2 circumnavigations with a sample cadence of 12 minutes. 2) Shelley (nephelometer) will determine the size distribution of the aerosols (0.4 to 36 um) in the atmosphere. With a size resolution of <0.7 um, it can determine which mode of H2SO4 is present and characterize the large (>30 um) organic particles previously detected by the Venera and Galileo missions [6,7]. 3) Herbert (UV imager) will measure UV radiance at 283 nm (the wavelength of SO2 absorption) and 365 nm (the unknown part of the absorber). UV images will be taken concurrently with the INMS and nephelometer to correlate UV absorption with abundances of the UV absorber species. 4) Vonnegut (magnetometer) has a range of >600 nT and a precision and accuracy of 1 nT. If magnetized by a past field, the crust may have retained a magnetization of up to 3 A/m2 [5]. With a noise floor of 10 nT, the magnetometer will be able to detect RCM from an altitude of 62 km, even if the thickness of the magnetized crust is just 1 km (Fig. 2). Mission Concept Design: VERNE will be launched with a mass of 3300 kg in an intermediate-high performance class vehicle with a 4-m fairing. The 475-day mission includes 466 days for the cruise, coasting, and orbit initialization phases before entry, descent, and balloon deployment. During the 9-day science phase, the aerial platform will make 2 circumnavigations of the planet at an altitude of 62 km. The INMS and the nephelometer will acquire data for 2 hours during the daytime and nighttime during each circumnavigation, while the UV imager will be on for the duration of the daytime, and the magnetometer will be operational throughout the entirety of the science phase. Data will be stored and processed with the JPL-designed Sphinx command and data handling system. Data will be sent from the balloon to the orbiter using an S-band relay link, stored on the orbiter, and then forwarded to Earth where it will be received by the DSN. Conclusion: VERNE will fill key gaps in our understanding of the history and ongoing processes related to the geology and atmosphere of Venus and rocky worlds in general. Even with adequate flight system contingencies and expected costs below the $900M New Frontiers cost cap, VERNE is not without its risks and challenges. Further trade spaces to explore include 1) using solely battery power vs. including solar panels to increase the mission duration and 2) investigating the use of lightweight materials and 3D-printed structures to reduce the gondola mass, among others. Acknowledgments: We would like to thank the JPL Planetary Science Summer School, especially our mentors Troy Hudson, Karl Mitchell, and Leslie Lowes, as well as our Team-X study lead Al Nash and the members of Team-X. We’d additionally like to thank our review panel for asking insightful questions and providing valuable feedback. References: [1] Ross, F. E. (1928) Astrophysical J., 68, 57-92. [2] Rossow, W. B. et al. (1980) J. Geophysical Research, 85, 8107-8128. [3] Pinto, J. P. et al. (2021) Nature Communications, 12, 175. [4] Titov, D. V. et al. (2007) Cosmic Research, 21, 401. [5] O’Rourke, J. et al. (2019) Geophysical Research Lett., 46, 5768–5777. [6] Limaye, S. S. et al. (2018) Astrobiology, 18(9), 1181-1198. [7] Grinspoon, D. H. et al. (2013) Planetary and Space Sci., 41(7), 515-542. [8] Parker, R. L. (2003) J. Geophysical Research, 108, 5006. *The cost information contained in this document is of a budgetary and planning nature and is intended for informational purposes only. It does not constitute a commitment on the part of JPL and/or Caltech.

H Alpert↗
DOE OSTI2024

Enhanced Interfacial Electron Transfer in Photocatalyst-Natural Enzyme Coupled Artificial Photosynthesis System: Tuning Strategies and Molecular Simulations

Laccase is capable of catalyzing a vast array of reactions, but its low redox potential limits its potential applications. The use of photocatalytic materials offers a solution to this problem by converting absorbed visible light into electrons to facilitate enzyme catalysis. Herein, MIL-53(Fe) and NH 2 -MIL-53(Fe) serve as both light absorbers and enzyme immobilization carriers, and laccase is employed for solar-driven chemical conversion. Electron spin resonance spectroscopy results confirm that visible light irradiation causes rapid transfer of photogenerated electrons from MOF excitation to T1 Cu(II) of laccase, significantly increasing the degradation rate constant of tetracycline (TC) from 0.0062 to 0.0127 min -1 . Conversely, there is only minimal or no electron transfer between MOF and laccase in the physical mixture state. Theoretical calculations demonstrate that the immobilization of laccase's active site and its covalent binding to the metal-organic framework surface augment the coupled system's activity, reducing the active site accessible from 27.8 to 18.1 Å. In conclusion, the constructed photo-enzyme coupled system successfully combines enzyme catalysis’ selectivity with photocatalysis's high reactivity, providing a promising solution for solar energy use.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Machine learning defect properties in Cd-based chalcogenides

Impurity energy levels in the band gap can have serious consequences for a semiconductor's performance as a photovoltaic absorber. Data-driven approaches can help accelerate the prediction of point defect properties in common semiconductors, and thus lead to the identification of potential deep lying impurity states. In this work, we use density functional theory (DFT) to compute defect formation energies and charge transition levels of hundreds of impurities in CdX chalcogenide compounds, where X = Te, Se or S. We apply machine learning techniques on the DFT data and develop on-demand predictive models for the formation energy and relevant transition levels of any impurity atom in any site. The trained ML models are general and accurate enough to predict the properties of any possible point defects in any Cd-based chalcogenide, as we prove by testing on a few selected defects in mixed chalcogen compounds CdTe 0.5 Se 0.5 and CdSe 0.5 S 0.5 . The ML framework used in this work can be extended to any class of semiconductors.

density functional theory↗
DOE OSTI2022

Pilot Testing of a Highly Efficient Pre-combustion Sorbent-based Carbon Capture System

TDA developed and demonstrated a highly efficient pre-combustion carbon capture system. The overall objective of this work was to develop a new sorbent-based pre-combustion carbon capture technology for Integrated Gasification Combined Cycle (IGCC) power plants. In this project our goal was to demonstrate the techno-economic viability of the new technology by 1) demonstrating it in large-scale slipstream tests, and 2) carrying out a high fidelity engineering and cost analysis. TDA’s process used an advanced physical adsorbent that selectively removes CO 2 from coal-derived synthesis gas above the dew point of the gas at temperatures as high as 300°C. The sorbent consists of a mesoporous carbon whose surface was grafted with functional groups that remove CO 2 via a well-known acid-base interaction. As documented in bench-scale experiments and field tests with actual coal gas, the sorbent achieved a very high capacity for CO 2 at temperatures as high as 300°C. The sorbent bound CO 2 more strongly than common physical adsorbents, providing the chemical potential needed for the high temperature operation. However, because CO 2 does not form a true covalent bond with the surface sites (as is the case with chemical absorbents), the sorbent regeneration could be carried out with only a very small energy input. The heat input to regenerate our sorbent was only 4.9 kcal per mol of CO 2 , which is much lower than that for chemical absorbents (e.g., 29.9 kcal/mol CO 2 for sodium carbonate) and was similar to the requirements of physical solvents (e.g., 4 kcal/mol CO 2 for Selexol TM ). Because the sorbent operates above the dew point of the synthesis gas (unlike the Selexol TM process), a higher power cycle efficiency can be achieved. With previous DOE/NETL funding (Contract No. DE-FE-0000469), we demonstrated the techno-economic viability of the technology in bench-scale tests and slipstream demonstrations at the National Carbon Capture Center (NCCC), Wilsonville, Alabama and Wabash River IGCC plant in Terra Haute, Indiana. We demonstrated a stable working CO 2 capacity for over 11,650 cycles with simulated synthesis gas. We also evaluated its performance with actual synthesis gas in two test campaigns at the Wabash River IGCC Plant, Terre Haute, IN and the National Carbon Capture Center (NCCC), Wilsonville, AL. The slipstream tests clearly showed that the actual coal gas constituents and potential contaminants (e.g. trace metals, halides, tars) had no effect on the sorbent’s ability to remove CO 2 (the same sorbent beds were used in both field tests with no sign of deactivation for 2,000 cycles with over 26,750 SCF of gas treated). As expected, due to the high temperature CO 2 removal capability and low energy needed to regenerate the sorbent, the power cycle efficiency with our process was greater than 34% on a higher heating value (HHV) basis; in comparison, the same IGCC plant equipped with the Selexol TM solvent for carbon capture can only achieve 31.4% HHV efficiency. The capital cost for an IGCC system with TDA’s process is estimated as $2,417/kW e , which is 12% lower than that of the IGCC/ Selexol TM process. The levelized cost for electricity including the transport, storage and monitoring (TS&M) cost for CO 2 was calculated as $\$ $92.9/MWh (lowest reported to our knowledge), which is much better than the $105.2/MWh estimated for the IGCC/ Selexol TM process. In this project (DE-FE0013105), TDA Research, in collaboration with our partners Gas Technology Institute (GTI), Illinois Clean Coal Institute (ICCI), University of California, Irvine (UCI), University of Alberta (UOA), Siemens, NCCC and Sinopec advanced the technical maturity of the technology; scaling it up by a factor of 100. We optimized the reactor design using computational fluid dynamics (CFD); using adsorption modeling we improved the pressure swing adsorption (PSA) cycle sequence. We carried out two field test campaigns with a fully-equipped 0.1 MW e prototype unit (for a total of 844 hours) using actual synthesis gas to prove the viability of the new technology. A successful 30 day (707 hrs) evaluation was completed at NCCC under air blown gasification conditions. We demonstrated 97.3% carbon capture at 1,500 SLPM, 93% carbon capture at 1,800 SLPM, and 90% carbon capture at 2,100 SLPM in the NCCC tests. We also demonstrated the system for 137 hours at a Sinopec petrochemical plant under oxygen blown gasification, demonstrating 86% carbon capture at 2,660 SLPM. In collaboration with University of California, Irvine (UCI), we completed a techno-economic analysis (TEA) for TDA’s warm gas cleanup technology integrated to IGCC power plant. The net plant efficiencies (on a coal HHV basis) for the warm gas cleanup cases were estimated to be 34.0% for E-GasTM gasifier, 34.4% for GE gasifier, 33.4 for the Shell gasifier and 34.2 for the TRIG TM gasifier (Cases 2, 4, 6 and 8 in this study) with a catalytic combustor for CO 2 purification, which are significantly higher than those for the Cold Gas Case, or an increase of as much as 12% in the heat rate for Case 2, 6% for Case 4, 9% for Case 6, and 9% for Case 8. The 1st year cost of electricity with the transport, storage and monitoring (TS&M) costs for the CO 2 included was $\$ $129.2/MWh for the E-GasTM gasifier Warm Gas Cleanup Case, $\$ $131.9/MWh for the GE gasifier Warm Gas Cleanup Case, $\$ $146.8/MWh for the Shell Gasifier Warm Gas Cleanup Case, and $\$ $129.9/MWh for the TRIG TM gasifier Warm Gas Cleanup Case. For comparison, the costs for the baseline Cold Gas CO 2 removal with Selexol for the different gasifiers were: $\$ $146.6/MWh for the E-Gas TM gasifier, $\$ $142.2/MWh for the GE gasifier, $\$ $159.0/MWh for the Shell gasifier and $\$ $144.3/MWh for the TRIG TM gasifier. In summary, the costs for our system were 7 to 12% lower than the corresponding Cold Gas Cleanup cases. The results of this techno-economic analysis suggested that TDA’s high temperature PSA-based Warm Gas Clean-up Technology can make a substantial improvement in the IGCC plant thermal performance for achieving near zero CO 2 emissions for E-Gas TM , GE, Shell and TRIG TM gasifier based IGCC power plants. The capital expenses were estimated to be lower than that of Selexol’s™. Taken together, the higher net plant efficiency and lower capital and operating costs resulted in substantial reduction in the cost of carbon capture for the IGCC plant equipped with TDA’s high temperature PSA-based carbon capture system. Finally, in collaboration with Gas Technology Institute (GTI) we completed the environmental health and safety assessment for TDA’s warm gas carbon capture technology.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS2019

Arctic Cloud Radiative Forcing in Contemporary Atmospheric Reanalyses

Arctic clouds play an important role in modifying the surface energy balance. In the Arctic, clouds are thought to influence the underlying sea ice cover through changing downwelling longwave radiative fluxes to the surface and through the selective reflection of the shortwave flux in summer. Atmospheric reanalyses are generally thought to have a poor representation of cloud processes at high latitudes, although the representation of trends over the perennial Arctic sea ice pack is less well known. Here, atmospheric energy fluxes are examined at the top of the atmosphere from contemporary reanalyses in comparison to satellite measurements from the CERES-EBAF version 4.1 product. The principal reanalyses examined are the NASA MERRA-2, the ECMWF ERA5 and ERA-Interim, the JRA-55, and the regional Arctic System Reanalysis version 2. In agreement with previous observation-based studies, changes with time in the shortwave cloud radiative forcing in reanalyses are found to be negligible despite strong trends in the absorbed shortwave. Over the full satellite period, there is large disagreement in the seasonality of longwave cloud forcing trends. These trends are reduced during the CERES-EBAF observing period (2003-present). An examination of these trends with respect to sea ice cover changes in each of the reanalyses is conducted.

Cullather, Richard I.↗
NASA NTRS2001

Three Dimensional Atmospheric Radiative Transfer-Applications and Methods Comparison

We review applications of 3D radiative transfer in the atmosphere, emphasizing the wide spectrum of scales important to remote sensing and modeling of cloud fields, and the characteristic scales introduced into observed radiances and fluxes by the distribution of photon pathlengths at conservative and absorbing wavelengths. We define the "plane-parallel bias", which is a measure of the importance of 3D cloud structure in large-scale models, and the "independent pixel errors" that quantify the significance of 3D effects in remote sensing, and emphasize their relative magnitude and scale dependence. A variety of approaches in current use in 3D radiative transfer, and issues of speed, accuracy, and flexibility are summarized. We also describe a recently initiated "International Intercomparison of 3-Dimensional Radiation Codes", or I3RC. I3RC is a 3-phase effort that has as its goals to: (1) understand the errors and limits of 3D methods; (2) provide "baseline" cases for future 3D code development; (3) promote sharing of 3D tools; (4) derive guidelines for 3D tool selection; and (5) improve atmospheric science education in 3D radiative transfer. Selected results from Phases 1 and 2 of I3RC are discussed. These are taken from five cloud fields: a 1D field of bar clouds, a 2D radar-derived field, a 3D Landsat-derived field, a stratiform cloud from the model of C. Moeng, and a convective cloud from the model of B. Stevens. Computations have been carried out for three monochromatic wavelengths (one conservative, one absorptive, and one thermal) and two solar zenith angles (0, 60 degrees).

Cahalan, Robert F.↗
DOE OSTI2024

Fractal Nanostructured Solar Selective Surfaces for Next Gen Concentrating Solar Power (Final Report)

This project reports a novel coating with enhanced solar absorptance and reduced thermal emittance with high efficiency at elevated temperature for next-generation concentrated solar power (CSP) plants, with targeted operating temperatures around 750°C. Highly textured single and multimetallic oxide coatings were electrodeposited onto Inconel substrate by systematically varying the composition and process parameters. The optimized coating exhibited micro-to-nano structures designed to match the wavelengths in the visible region of the solar spectrum. These structures facilitate resonant absorption of solar radiation, significantly boosting solar absorption and accommodating thermal stress during high temperature exposure. A high solar absorptance exceeding 0.985 and a low thermal emittance below 0.5, yielding a thermal efficiency near 95%, was achieved for the optimized coatings without any anti-reflective overcoat, that remained robust after 750 h of isothermal exposure to 750°C in air. The coatings are also robust to severe mechanical and environmental stressors. The innovative approach presented in this study demonstrates the potential for tailoring air-stable solar absorber coatings to achieve high absorption, low emittance, and excellent high-temperature endurance, meeting the rigorous demands of next-generation CSP systems. A technoeconomic analysis reveals the economic advantage of the coatings for Gen3 CSP installations in different geographical zones globally.

14 SOLAR ENERGY↗