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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 451 records · Page 25

Advanced Analytical Methodologies Enable Feedstock Screening and Correlation to Pyrolysis Yields and Catalytic Upgrading

Pyrolysis of lignocellulosic biomass can serve as a powerful pathway for the generation of renewable fuels and industrial products. However, procurement of some biomass may be costly, especially when there is competition for alternative uses. Forestry and agricultural byproducts may serve as valuable pyrolysis feedstocks due to their high availability and low cost. Although waste products may fill demand for affordable pyrolysis feedstocks, they are often high in ash and extractives which contribute to unfavorable changes in pyrolysis vapor composition, as well as end products. The work presented here investigates the correlations between various pine anatomical fractions to understand their effect on pyrolysis oil composition for forest residues. Analytical pyrolysis coupled to direct analysis by molecular beam mass spectrometry (MBMS) provides real-time monitoring of pyrolysis vapor composition, even for compounds that are not amenable to gas chromatography. Statistical analysis of MBMS data from the fast pyrolysis (FP) of clean pine, cambium, twigs and branches, needles, bark, and a forest residue samples revealed that bark and needles made the greatest differences in the vapor composition of forest residues during pyrolysis and were enriched in resin acids, furfural derivatives, and ions that have been previously observed from catalysis corresponding to ash content. These results were also compared to catalytic fast pyrolysis (CFP) using a platinum on titania catalyst, and correlations between FP and CFP products were observed for the anatomical fractions. The forest residues and corresponding anatomical fractions from a stand of 23-year-old pine will be converted by fast pyrolysis in a bench-scale 2-inch fluidized-bed reactor, and statistical correlations between the bench-scale products and analytical-scale pyrolysis vapors will be shown. This work highlights the power of advanced analytical methodologies in determining the contributions of vapor components to catalytic pyrolysis outcomes for mixed feedstocks and demonstrates the use of analytical methodologies to better screen feedstocks prior to pyrolysis.

analytical↗

Development of a Laser Ultrasonics-based Approach for Rapid Screening of High Entropy Alloys

This project utilized a laser ultrasonic technique to systematically study temperature-induced evolution of material properties in a set of interrelated binary alloys and a high entropy alloy (HEA) fabricated using arc-melting and spark plasma sintering processes. This technique involved the use of a nanosecond duration, high-intensity pulsed laser to thermo-elastically generate ultrasonic waves that propagate in the bulk of the metal alloy. Sub-nanometer-scale displacements associated with the propagating bulk ultrasonic waves were detected along the epicenter on the opposite surface of the sample using a 1 GHz bandwidth photorefractive interferometer. Phase transformations and microstructural changes were inferred from the temperature-dependent trends in the bulk acoustic velocities and features in the ultrasonic epicentral waveforms measured in the binary alloys. These inferences were then correlated with electron/optical microscopy observations and predictions using calculations of phase diagrams (CALPHAD). The results showed that the laser-generated ultrasonic pulses were strongly influenced by changes in material microstructure and could accurately track thermally driven phase transformations and detect the presence of microscale heterogeneities (grain boundaries, dendritic structures, etc.) in the set of binary alloy samples. The measurement approach was then applied to a quinary HEA sample for estimating phase transition temperature and determining microstructural heterogeneity. The rapid, non-contact and non-destructive ultrasonic testing approach demonstrated here is amenable to high throughput combinatorial investigations that can be applied to graded composition HEAs produced using advanced manufacturing methods. When paired with atomistic simulations and CALPHAD modeling, this approach can overcome the bottlenecks faced by current material characterization methods in efficiently screening the vast discovery space of HEAs that spans over a hundred million unique quinary alloy compositions.

36 MATERIALS SCIENCE↗

Locating Equitable Solar Opportunities by Census Tract: A Guide to the Screening Tool for Equitable Adoption and Deployment of Solar (STEADy Solar)

The Screening Tool for Equitable Adoption and DeploYment of Solar (STEADy Solar) is a database and mapping tool that indicates locations that may be eligible for the Investment Tax Credit bonus adders defined in the 2022 Inflation Reduction Act (IRA). The tool combines publicly available information on demographics, solar technical potential, solar economics (modeled net present value), building counts by use-type, and eligibility for tax credit adders. It can be used by states, municipalities, community-based organizations, developers, and researchers to identify sites where solar projects may be economical and where federal incentives may be available to support equitable adoption of solar. This report describes the STEADy dataset and presents high level insights from the data.

census tract↗

Pixelated, large active area scintillating screens

A pixelated X-ray conversion screen includes a metal aperture sheet having a pixel hole filled with a scintillator material, wherein an area of the pixel hole is equal to or less than about 0.25 mm 2 .

Wiggins, Brenden W.↗

Novel Process for Screen-Printed Selective Area Front Polysilicon Contacts for TOPCon Cells Using Laser Oxidation

The efficiency potential of double-side tunnel oxide passivated contact (DS-TOPCon) solar cells is limited by parasitic absorption in the front poly-Si layer, despite excellent passivation and high V OC . The use of patterned poly-Si only under the front metal grid lines can significantly reduce the parasitic absorption loss without sacrificing voltage. In this work, we demonstrate a simple, manufacturing-friendly method of patterning the front poly-Si using a nanosecond UV (355 nm) laser. We found that with laser powers ≥3 W at a 400 mm/s scan speed, an estimated 1–4 nm thick stoichiometric SiO 2 layer was grown on TOPCon. This served as a mask for KOH-etching of 200 nm poly-Si, allowing for patterning of poly-Si fingers required for selective TOPCon. While laser powers above 3 W caused substantial deterioration in passivation quality, the resulting damage in J 0 was largely recovered by subsequent PECVD SiN x deposition. At 3 W, the full area J 0 was found to be 36.8 fA·cm –2 . Furthermore, this translates to 1.68 fA·cm –2 for 4.48% coverage from the wing area of the polyfinger lines (100 lines–100 μm wide and 30 μm metal) contributing to a total front J 0 of ~10 fA·cm –2 , well suited for 25% efficient solar cells

42 ENGINEERING↗

E- Area Low-Level Waste Facility Multitiered Groundwater and Intruder Radionuclide Screening

Solid Waste Management (SWM) operates the E- Area Low-Level Waste Facility (ELLWF) where low level on-site and off-site solid waste streams are buried. The facility has been in operation since late 1994 and is currently projected to remain in operation until 2065. This facility can accommodate a broad range of waste forms resulting from the six different types of disposal unit (DU) options (i.e., varying degrees of engineered barriers → trenches to concrete vaults). This facility is currently operating under a Performance Assessment (PA)issued back in 2008, along with several subsequent supporting Special Analyses (SA).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

E-Area Low-Level Waste Facility Multitiered Groundwater and Intruder Radionuclide Screening

Solid Waste Management (SWM) operates the E-Area Low-Level Waste Facility (ELLWF) where low level on-site and off-site solid waste streams are buried. The facility has been in operation since late 1994 and is currently projected to remain in operation until 2065. This facility can accommodate a broad range of waste forms resulting from the six different types of disposal unit (DU) options (i.e., varying degrees of engineered barriers → trenches to concrete vaults). This facility is currently operating under a Performance Assessment (PA) issued back in 2008 (WSRC 2008), along with several subsequent supporting Special Analyses (SAs). The Savannah River National Laboratory (SRNL) developed the prior PAs and SAs and was tasked to update the facility’s upcoming PA, most likely to be issued during FY2023. For operating the E-Area facility, a Consolidated Waste Tracking System (CWTS) is actively employed by waste generators where every radionuclide entering the facility, to be buried in one of its many DUs1, must be either directly or indirectly tracked. Since there are many radionuclides in existence (>3,000), the International Commission on Radiological Protection (ICRP), specially ICRP Publication 107, has provided guidance on the subset of radionuclides requiring further assessment in landfills such as the ELLWF. The ICRP 107 publication provides critical radiological information on 1,252 radionuclides consisting of 97 elements. This database, along with the current dose coefficients that have been developed for these radionuclides in DOE-STD-1196-2011 (DOE 2011), is the critical starting point for developing a consistent inventory limit system.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Computational screening of fly ash zeolite sorbents for boric acid removal

In the United States, many impoundments at coal-fired power plants contain elevated contaminants like arsenic, boron, barium, and selenium. Zeolites synthesized from fly ash show promise as sorbents for these contaminants. However, optimizing sorption capacity is challenging due to numerous possible topologies, silicon to aluminum (Si/Al) ratios, and cation types. In this study, molecular simulations are used to design cationic zeolites for boric acid adsorption. Force field models based on quantum mechanical calculations (PBE + D2) for Na-, Ca-, Mn-, and Fe-exchanged chabazite and LTA are presented. The new D2FF force fields reproduce DFT energies with about half the error of UFF. Zeolite performance depends on Si/Al ratio and cation type, with low Si/Al ratio chabazite (CHA) and phillipsite (PHI) zeolite frameworks exchanged with Ca 2+ or Na + /Ca 2+ mixtures showing the highest adsorption. In conclusion, these findings suggest tailored fly ash-derived zeolites could provide effective boron removal from leachate ponds.

CCR impoundment↗

Connecting research and teaching introductory cell and molecular biology using an Arabidopsis mutant screen

A complex research project was translated into a Course-based Undergraduate Research Experience (CURE), which was implemented in sections of an introductory Cell and Molecular Biology laboratory course. The research laboratory generated an engineered plant line producing a growth-inhibiting, lipid-derived plant hormone and mutagenized this line. Students in the CURE cultured the mutagenized plant population and selected and characterized suppressor mutants. They learned to observe phenotypes related to the biosynthesis and perception of the plant hormone and explored the genetic and biochemical basis of these phenotypes. As the students studied the relevant genetic, molecular and biochemical concepts during this CURE, they were able to translate this knowledge into practice and develop scientific arguments. This CURE was a successful collaboration between the teaching lab and the research lab. It benefited both parties as the students had a real-life, deep learning experience in scientific methodology, while the research lab gathered data and materials for further studies

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Screening of transition metals for PFAS adsorption: A comparative DFT investigation

Transition metals are promising candidates for catalytic destruction of per- and polyfluoroalkyl substances (PFAS). This study employed density functional theory (DFT) calculations to systematically investigate the adsorption of PFAS, which is a critical step in the catalytic process, onto a group of transition metals, namely Cu, Pd, Pt, and Rh. The investigation considered the influence of different PFAS characteristics, including chain length, functional group (i.e., sulfonic vs. carboxylic), and protonation state (i.e., protonated, anionic, and deprotonated radical) on the adsorption mechanism. Overall, the findings indicated that the adsorption of PFAS on transition metals exhibited thermodynamically favorable energetics, with Rh showing the most favorable adsorption for PFAS. However, the adsorption strength was significantly dependent on the protonation state of PFAS. Cu was the highest electron donor, while Pt was the highest electron acceptor. Results were compared to experimental studies in the literature for qualitative validation.

Adsorption↗

Experimental screening of salt hydrates for thermochemical energy storage for building heating application

The selection of a suitable salt hydrate for use in a thermochemical energy storage system is challenging. In this work, the most promising salts to store intermediate heat energy were selected and tested. The criteria set are; volumetric energy density of >500 kWh m-3 with a dehydration temperature of <100 degrees C, material cost of <3.5 USD kg-1 (<15 USD kWh-1), melting does not occur during dehydration and safety. Based on that, the salt hydrates SrCl 2 , MgSO 4 , Na 3 PO 4 , MgCl 2 and SrBr 2 were selected and tested experimentally. A constant temperature and humidity chamber was used to measure moisture sorption of different salts. The hydration is investigated under the conditions of 20 degrees C and 20, 30, 40, 60 and 80% RH, while dehydration is investigated under the conditions of 70, 100 and 140 degrees C using an oven. These dehydration temperatures of <100 degrees C are suitable for solar application whereas the dehydration temperature of 140 degrees C is suitable for waste heat. Furthermore, the salts are cycled over 30 times under the hydration conditions of 20 degrees C, 60% RH with a dehydration temperature of 100 degrees C. From these results, it is concluded that SrCl 2 and SrBr 2 are the most promising salts. This study outlines both the advantages and disadvantages of each salt and states the conditions they are most suitable for.

25 ENERGY STORAGE↗

Minimizing exposure to legacy wells and avoiding conflict between storage projects: Exploring area of review as a screening tool

Elevated pressure from large-volume injection is a key driver of risk and project cost. If transmissive features (e.g., non-isolating wells or fracture systems) are present, increased injection-zone pressure can drive fluids from depth toward protected freshwater resources. In US Carbon Capture and Storage (CCS) law, the area at risk is known as the Area of Review (AoR). The size and number of potentially transmissive features to be evaluated and possibly remediated or managed is a function of the size and location of the AoR. The size of the AoR depends on several variables, including properties of the injection zone, properties of protected resources, and injection rate and duration. Evaluation of the intersection of these variables across a portfolio of sites highlights the injection zone depth and boundary conditions as top-level controls. Deep injection, use of multiple stacked injection zones, reduced injection rate and choice of injection well location can all be used to minimize AoR and the number of potentially transmissive features within it. Here, we introduce the concept of pressure space (defined as connected pore volume times pressure) as the key subsurface commodity for CO 2 storage and we suggest that it forms a more robust basis for leasing and regulation than pore space alone.

58 GEOSCIENCES↗