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At least 559 records · Page 31

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DOE OSTI2021

Micro- and Nano-techniques for the Study of Fission Product Precipitation in SiC Layer

The complexity of fission product distribution and composition within the SiC layer of tristructural isotropic (TRISO) coated particles, irradiation effects on the SiC structure as well as the variable nature of metallic fission product release, has led to the exploration of multiple micro- and nano-characterization techniques. The fine scale of the fission product precipitates necessitates unique learnings and application of electron microscopic techniques with irradiated fuel during the Advanced Gas Reactor (AGR)-1 experiment analysis. A summarized discussion on the specific advanced techniques with associated method development for TRISO coated particles is provided followed by the down selected techniques currently considered to provide the highest impact. Techniques considered are electron probe micro-analyzer (EPMA), scanning transmission electron microscopy (STEM), and Precession electron diffraction (PED). SiC grain boundary characteristics are evaluated due to the mobility of specific fission products through grain boundaries. PED was performed for understanding the role of grain boundary character on fission product transport. One set of comparative analyses between AGR-1 and AGR-2 particles leads to a finding that the AGR-1, high-Ag-retention particle, had statistically more coincidence site lattice (CSL)-related grain boundaries (but fewer low-angle grain boundaries), compared to the AGR-2 particle. This implies that CSL-related grain boundaries may have a direct influence on Ag retention. However, precipitates were found on a relatively small fraction of CSL-related grain boundaries in both particles. In another set of comparison between AGR-1 and AGR-2 particles that were subjected to safety testing, there is significant differences in average SiC grain boundary distributions, but the fission product distributions on these grain boundaries are very similar.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Hierarchical printed product and composition and method for making the same

Disclosed herein are embodiments of a printable composition that can be used to make printed products of a chosen material chemistry that have different levels of porosity within the printed product's structure Also disclosed herein are embodiments of a printed product that has multiple levels of porosity throughout its structure, which can include a macroscale level of porosity, a microscale level of porosity, a nanoscale level of porosity and any combination thereof. These printed products can be made using a 3-D printer and can be made from a single printable composition without the need to add different structural components during the production process. Also disclosed herein are embodiments of a method for making and using a printed product.

Lee, Matthew N.↗

DOE OSTI2022

M2CT-22IN1202096 Design for Carbon Conversion Product Pathways with Nuclear Power Plant Integration

Coal is a globally abundant resource that historically has been used for power generation via combustion. As the power industry replaces coal with cleaner methods of generation, energy-rich coal could be used in other chemical and fuel applications. This study presents a coal utilization option in which coal combustion is replaced with a carbon-free nuclear power plant and the coal is upgraded to valuable products for a variety of markets. Coal is prepared for conversion first by the pyrolysis process, which will optimize solid, liquid, and gaseous products based on the market size and potential product value, maximizing the monetary value of coal. This process is designed using bituminous coal from the Appalachian region as a basis to provide a pathway to preserve or transition coal-related jobs and create new jobs associated with the clean energy transition. Process modeling in the AspenOne Suite will be used to determine each component’s sensitivities, costs, inputs, and outputs. Dispatch modeling in the FORCE toolset will optimize the entire system and calculate the NPV for the refinery lifetime. Advanced and light-water reactors are considerations to supply the heat, steam, and electricity to the process. This paper focuses on the technical and market analysis used to determine the optimal processes and product pathways for the carbon refinery. Product pathways are on activated carbon, formic acid synthesis, and methanol synthesis for further upgrading to marketable chemical and polymer products.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2022

M2CT-22IN1202096 Design for Carbon Conversion Product Pathways with Nuclear Power Plant Integration

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2022

Design for Carbon Conversion Product Pathways with Nuclear Power Plant Integration (PCC)

Coal is a globally abundant resource that historically has been used for power generation via combustion. As the power industry replaces coal with cleaner methods of generation, energy rich coal could be used in other chemical and fuel applications. This study presents a coal utilization option in which coal combustion is replaced with a carbon-free nuclear power plant and the coal is upgraded to valuable products for a variety of markets. Coal is prepared for conversion first by the pyrolysis process, which will optimize solid, liquid, and gaseous products based on the market size and potential product value, maximizing the monetary value of coal. This process is designed using bituminous coal from the Appalachian region as a basis to provide a pathway to preserve or transition coal-related jobs and create new jobs associated with the clean energy transition. Process modeling will be used to determine each component’s sensitivities, costs, inputs, and outputs Advanced and light-water reactors are considerations to supply the heat, steam, and electricity to the process. This paper focuses on the technical and market analysis used to determine the optimal processes and product pathways for the carbon refinery. Product pathways are on activated carbon, formic acid synthesis, and methanol synthesis for further upgrading to marketable chemical and polymer products.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2023

Direct Conversion of Delignified Biomass into Non-Volatile Products Using Thermophilic Bacteria

Butyric acid (BA) can be used as a platform intermediate for diesel and sustainable aviation fuels (SAFs) as well as a precursor for diverse commodity chemicals for the production of polymers, fibers, solvents, and preservatives. This work presents a co-culture-based bioprocess for the production of BA from corn stover by two thermophilic bacteria, Clostridium thermocellum, a well-known efficient degrader of insoluble and oligomeric cellulosic substrates, and Clostridium thermobutyricum, a highly efficient BA producer from monomeric sugars. First, we tested the capability of C. thermocellum to deconstruct three different biomass streams from the NREL pilot plant pretreatment process -raw, deacetylated, and deacetylated and mechanically refined corn stover (DMR)-, and up to 82% solids deconstruction and 91% carbohydrate utilization were obtained when using DMR solids. Then, the sugar utilization and by-product formation capabilities on various substrates by C. thermobutyricum were compared to evaluate its potential as a co-culture partner for C. thermocellum. Model carbon sources -glucose and xylose- were compared to a mixture of substrates present in soluble DMR hydrolysate streams, and the highest cell density as well as the maximum BA titer (8.3 g/L) were observed on DMR hydrolysate. Finally, clostridial co-cultivations on DMR solids were performed to investigate the inoculation time for both organisms that enhances BA production; while C. thermocellum was always inoculated at the beginning of the cultivation, C. thermobutyricum was inoculated at 0, 36, or 72h. It was found that BA production begins immediately upon inoculation of C. thermobutyricum regardless of the inoculation time. However, higher solids deconstruction and carbohydrate utilization results (83.7 and 95.6%, respectively) were obtained when both organisms were inoculated at the beginning of the fermentation. Under those conditions, up to 2.6 g/L of BA were obtained from DMR solids after 120h of cultivation. This work provides relevant information for the sustainable production of BA using thermophilic bacteria.

bacterial co-culture↗

DOE OSTI2023

Investigating Combinations of Alkali Metal Oxides and Hydrogenation Catalysts for Reactive Capture of CO2 to Useful C1 Products

As the world endures environmental crises associated with climate change and the rise of atmospheric CO2 concentrations from anthropogenic CO2 emission, carbon capture and utilization (CCU) technologies are increasingly necessary. Reactive carbon capture (RCC) technologies, in which capture and conversion of CO2 occur in a single reactor, are more energetically and economically attractive by avoiding the need to purify, compress, and transport the captured CO2. To this end, dual function materials (DFMs) - composed of sorbents and catalysts co-dispersed on the same high surface area carrier - have been developed. The sorbent component allows for selective capture of CO2 from a gas stream and the catalyst component subsequently performs the in-situ conversion of the adsorbed CO2 upon introduction of a reactive gas (typically H2). The end product of the most established DFM, comprised of Ru and/or Ni with an alkaline sorbent, is methane via the CO2 methanation reaction. While renewable methane would be an excellent transition fuel, fossil methane is inexpensive (averaging $2.57/MMBTU in pre-pandemic 2019) and the economics of renewable methane utilization are noncompetitive. This requires the design and investigation of DFMs that enable CO2 capture and conversion to more valuable and more useful C1 products like CO or methanol (average price of methanol was $20.61/MMBTU in pre-pandemic 2019). These products can then be further upgraded to high energy density synthetic fuels, and related carbonaceous products, for more sustainable alternatives in industries that are difficult to decarbonize, specifically heavy duty vehicles and aviation. Herein, we report various sorbent + catalyst combinations to achieve the production of useful C1 products through reactive capture of CO2.

carbon capture↗

DOE OSTI2024

Decarbonizing Hydrogen Production: Assessing A Net-Negative Pathway

Hydrogen is gaining prominence as a key factor in the world's transition to a cleaner energy future. The International Energy Agency (IEA)'s Global Hydrogen Review 2023 reports that the number of low-emission hydrogen production projects is increasing rapidly. The potential for growth in new applications such as heavy industry, transportation, and power generation is significant. The IEA urges more decisive action to spur demand for low-emission hydrogen to achieve climate goals. While hydrogen is produced through various industrial methods, each with its own advantages and disadvantages, low-carbon hydrogen is critical for mitigating climate change and is incentivized by the Clean Hydrogen Production Tax Credit (45V). To this end, we have evaluated a commercial technology that can produce low- or negative-carbon hydrogen via ethanol catalytic oxidative reforming. This study assessed life cycle greenhouse gas emissions (carbon intensity or CI) associated with the hydrogen production technology. A total of 24 scenarios were evaluated, encompassing (a) Gen1 versus Gen2 ethanol inputs, (b) carbon capture and sequestration (CCS) of upstream fermentation CO2, and (c) oxygen sourcing via air separation unit (ASU) versus purchased or on-site production of oxygen as a byproduct of hydrogen electrolysis with a proton exchange membrane (PEM). Key findings include that the base case CI for hydrogen production using Gen2 ethanol from corn stover is lower than Gen1 dry mill corn ethanol. The study also points out that the CI for hydrogen production using PEM-O2 is lower than that using ASU-O2, whether the PEM-O2 is produced on-site or off-site (importing). When sourcing oxygen from on-site PEM-O2, the Gen1 and Gen2 ethanol-derived hydrogen exhibit favorable net-negative CI values for all evaluated scenarios, especially if the upstream ethanol CCS is included. As a reference, the 45V regulatory threshold for generating clean hydrogen tax credits is a CI below 0.45 kg CO2e/kg hydrogen.

BIOMASS FUELS,HYDROGEN↗

DOE OSTI2021

Greenhouse production contributes to pesticide occurrences in Swedish streams

Greenhouse and other covered cultivation systems have increased globally over the past several decades, leading to considerably improved product quality and productivity per land area unit. However, there is a paucity in information regarding the environmental impacts of covered production systems, especially regarding pesticides entering the surrounding environment. Aiming to address this knowledge gap, we collected grab samples downstream of greenhouses from seven Swedish streams every 14 days during a 12 month period. In three of the streams, samples were also taken upstream of the greenhouses and in four of the streams time-integrated samples were collected by TIMFIE samplers in the period between grab sampling occasions. The samples were analyzed for 28 substances (27 that were permitted for use in greenhouse production systems in Sweden and one degradation product to a permitted substance). Pesticide use journals were collected from the greenhouse producers for the 12 month period. The results were examined for indications of greenhouse contributions to detection frequencies, maximum and average concentrations, and potential ecotoxicicity in several ways: (1) comparing locations downstream of greenhouses with registered use of a substance with those without registered use, (2) comparing results from this study with those from the Swedish environmental monitoring program of pesticides in surface water from catchments with no greenhouses from the same period and region, (3) comparing concentration trends with registered pesticide application times in the greenhouses, and (4) comparing up- and downstream concentrations. The results strongly suggest that greenhouse applications do contribute to pesticide occurrences, maximum and median concentrations for most of the pesticides included in this study, and to potential toxicity to aquatic organisms for several of them, most notably imidacloprid, acetamiprid, carbendazim, and pirimicarb.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

HypoRiPPAtlas as an Atlas of hypothetical natural products for mass spectrometry database search

Abstract Recent analyses of public microbial genomes have found over a million biosynthetic gene clusters, the natural products of the majority of which remain unknown. Additionally, GNPS harbors billions of mass spectra of natural products without known structures and biosynthetic genes. We bridge the gap between large-scale genome mining and mass spectral datasets for natural product discovery by developing HypoRiPPAtlas, an Atlas of hypothetical natural product structures, which is ready-to-use for in silico database search of tandem mass spectra. HypoRiPPAtlas is constructed by mining genomes using seq2ripp, a machine-learning tool for the prediction of ribosomally synthesized and post-translationally modified peptides (RiPPs). In HypoRiPPAtlas, we identify RiPPs in microbes and plants. HypoRiPPAtlas could be extended to other natural product classes in the future by implementing corresponding biosynthetic logic. This study paves the way for large-scale explorations of biosynthetic pathways and chemical structures of microbial and plant RiPP classes.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

A Biomass Pyrolysis Oil as a Novel Insect Growth Regulator Mimic for a Variety of Stored Product Beetles

Abstract As fumigants face increasing regulatory restrictions, resistance, and consumer pushback, it is vital to expand the integrated pest management (IPM) chemical toolkit for stored products. The production of biomass derived insecticides (e.g., bio-oil fraction) from byproducts of biofuel production may be a promising alternative source of chemistries for controlling stored product insects. These potential insecticidal bio-oils were fractionated based on boiling points (ranging from 115 to 230°C in one series and 245–250°C in another). Fractions were analyzed using GC-MS, and were found to be unique in composition. The lethality of these fractions was tested on Tribolium castaneum, Tribolium confusum, and Oryzaephilus surinamensis (L.) (Coleoptera: Silvanidae). Fractions were tested at concentrations ranging from 5–260 mg/ml to screen for efficacy against adults for durations of 2–8 hr sprayed on concrete arenas. In addition, a separate assay evaluated adult emergence of larvae after 6 wk with supplemental food in arenas, while repellency was evaluated against four stored product insect species in a laminar wind tunnel. A greenhouse gas (GHG) emissions life cycle assessment was also performed, which found the use of the bio-oil fraction could reduce GHG emissions associated with the insecticide supply chain by 25–61% relative to a fossil-fuel based insecticide or pyrethroid. While adults were largely unaffected, we found that larval emergence was significantly suppressed compared to controls by roughly half or more. We also determined that there was minimal repellency to most fractions by most species. We conclude that the use of bio-oil fractions is a climate-friendly choice that may support IPM programs.

09 BIOMASS FUELS↗

DOE OSTI2025

Measurements of ϒ states production in 𝑝 + 𝑝 collisions at $\sqrt{s}$ = 500 GeV with STAR: Cross sections, ratios, and multiplicity dependence

We report measurements of ϒ⁡(1⁢𝑆), ϒ⁡(2⁢𝑆) and ϒ⁡(3⁢𝑆) production in 𝑝 + 𝑝 collisions at $\sqrt{s}$ =500 GeV by the STAR experiment in year 2011, corresponding to an integrated luminosity ℒ int = 13 pb −1 . The results provide precise cross sections, transverse momentum (𝑝 T ) and rapidity (𝑦) spectra, as well as cross section ratios for 𝑝 T < 10 GeV/c and |𝑦| < 1. The dependence of the ϒ yield on charged particle multiplicity has also been measured, offering new insights into the mechanisms of quarkonium production. The data are compared to various theoretical models: the color evaporation model (CEM) accurately describes the ϒ⁡(1⁢𝑆) production, while the color glass condensate+nonrelativistic quantum chromodynamics (CGC+NRQCD) model overestimates the data, particularly at low 𝑝 T . Conversely, the color singlet model (CSM) underestimates the rapidity dependence. These discrepancies highlight the need for further development in understanding the production dynamics of heavy quarkonia in high-energy hadronic collisions. The trend in the multiplicity dependence is consistent with CGC/saturation and string percolation models or ϒ production happening in multiple parton interactions modeled by PYTHIA 8.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

PARFUME/BISON Fission Product Release Predictions versus AGR-3/4 Heating Test Measurements

The fuel performance modeling codes PARFUME (PARticle FUel ModEl) and BISON were used to predict the release of fission products silver, cesium, and strontium from as-irradiated fuel compacts containing tristructural isotropic (TRISO) coated particles during heating tests post irradiation. The AGR-3/4 fuel compacts were irradiated as part of the third and fourth series of planned experiments to support the Advanced Gas Reactor (AGR) program. The heating tests were conducted at temperatures between 1200°C and 1700°C to simulate reactor accident conditions. The measured fission product release fractions from the heating tests were compared to modeling predictions calculated by PARFUME and BISON to evaluate how the codes compare to experimental results. Comparisons between the experimental measured fission product release fractions from silver, cesium and strontium indicate that both modeling codes overpredict the fission product release fractions demonstrating that the diffusivities used in the codes are overestimated. This results in a conservative estimate predicted by the codes when evaluating the fission product release relative to experimental data as it pertains to silver, cesium, and strontium.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Pu-238 Production Progress at Idaho National Laboratory From December 2023 to November 2024

Idaho National Laboratory (INL) has continued in the effort to produce Pu-238 to support NASA deep space missions. In support of the production goal of contributing 700 g to the 1.5 kg per year constant rate production of Pu-238 heat source material in the United States by 2026. All available inner core positions of the Advanced Test Reactor (ATR) have been qualified for production for a 20% Np target, with efforts nearing completion for a 30% Np target further increasing production amounts. This includes the North East Flux Trap (NEFT), South Flux Trap (SFT), Inner A, H positions. With the completion of qualifying the inner core of ATR, work has started on the qualifying the outer core. The portion of the outer core that will produce Pu-238 includes the Large and Medium I positions. With the continued qualification work, INL is on track to contribute to the production goal by 2026.

07 - ISOTOPES AND RADIATION SOURCES↗

DOE OSTI2021

Hydrolysis of lignocellulose by anaerobic fungi produces free sugars and organic acids for two–stage fine chemical production with Kluyveromyces marxianus

Development of the bioeconomy is driven by our ability to access the energy-rich carbon trapped in recalcitrant plant materials. Current strategies to release this carbon rely on expensive enzyme cocktails and physicochemical pretreatment, producing inhibitory compounds that hinder subsequent microbial bioproduction. Anaerobic fungi are an appealing solution as they hydrolyze crude, untreated biomass at ambient conditions into sugars that can be converted into value-added products by partner organisms. However, some carbon is lost to anaerobic fungal fermentation products. To improve efficiency and recapture this lost carbon, we built a two-stage bioprocessing system pairing the anaerobic fungus Piromyces indianae with the yeast Kluyveromyces marxianus, which grows on a wide range of sugars and fermentation products. In doing so we produce fine and commodity chemicals directly from untreated lignocellulose. P. indianae efficiently hydrolyzed substrates such as corn stover and poplar to generate sugars, fermentation acids, and ethanol, which K. marxianus consumed while producing 2.4 g/L ethyl acetate. An engineered strain of K. marxianus was also able to produce 550 mg/L 2-phenylethanol and 150 mg/L isoamyl alcohol from P. indianae hydrolyzed lignocellulosic biomass. Despite the use of crude untreated plant material, production yields were comparable to optimized rich yeast media due to the use of all available carbon including organic acids, which formed up to 97% of free carbon in the fungal hydrolysate. Furthermore, this work demonstrates that anaerobic fungal pretreatment of lignocellulose can sustain the production of fine chemicals at high efficiency by partnering organisms with broad substrate versatility.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Strategies to achieve high productivity, high conversion, and high yield in yeast fermentation of algal biomass hydrolysate

The conversion of carbohydrates in biomass via fermentation is an important component of an overall strategy to decarbonize the production of fuels and chemicals. Owing to the cost and resources required to produce biomass hydrolysates, the economic and environmental sustainability of these fermentation processes requires that they operate with high yields, sugar conversion, and productivity. Immobilized-cell technology in a continuous bioprocess can achieve significantly higher volumetric productivities than is possible from standard batch fermentation using free cells. Here, we demonstrate approaches for improvement of ethanol yield from algal hydrolysates and a mock hydrolysate medium. Saccharomyces cerevisiae was immobilized in alginate and incorporated into a two-column immobilized cell reactor system. Furthermore, the yeast quorum-sensing molecule, 2-phenylethanol, was added to improve ethanol yield by restricting growth and diverting sugar to ethanol. The bioreactor system could achieve high ethanol volumetric productivity (>20 g/ Lreactor ·h) and high glucose conversion (>99%) in mock hydrolysate, while the addition of 0.2% 2-phenylethanol resulted in 4.9% higher ethanol yield. With an algal hydrolysate of <10 g/L sugar, the ethanol volumetric productivity reached 9.8 g/ Lreactor ·h, and the addition of 0.2% 2-phenylethanol increased the ethanol yield by up to 7.4%. These results demonstrate the feasibility of novel strategies to achieve sustainability goals in biomass conversions.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Associated production of prompt $J/ψ$ and Υ mesons in $pp$ collisions at $\sqrt{s}$ = 13 TeV

The associated production of prompt J/ψ and Υ mesons in pp collisions at a centre-of-mass energy of $\sqrt{s}$ = 13 TeV is studied using LHCb data, corresponding to an integrated luminosity of 4 fb -1 . The measurement is performed for J/ψ (Υ) mesons with a transverse momentum p T < 10 (30) GeV/c in the rapidity range 2.0 < y < 4.5. In this kinematic range, the cross-section of the associated production of prompt J/ψ and Υ(1S) mesons is measured to be 133 ± 22 ± 7 ± 3 pb, with a signifcance of 7.9 σ, and that of prompt J/ψ and Υ(2S) mesons to be 76 ± 21 ± 4 ± 7 pb, with a signifcance of 4.9 σ. The frst uncertainty is statistical, the second systematic, and the third due to uncertainties on the used branching fractions. This is the frst observation of the associated production of J/ψ and Υ(1S) in proton-proton collisions. Diferential cross-sections are measured as functions of variables that are sensitive to kinematic correlations between the J/ψ and Υ(1S) mesons. The efective cross-sections of the associated production of prompt J/ψ and Υ mesons are obtained and found to be compatible with measurements using other particle productions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Measurements and interpretations of W ± Z production cross-sections in pp collisions at $\sqrt{s}=13$ TeV with the ATLAS detector

Measurements of integrated and differential cross-sections for W ± Z production in proton-proton collisions are presented. The data collected by the ATLAS detector at the Large Hadron Collider from 2015 to 2018 at a centre-of-mass energy of $\sqrt{s}=13$ TeV are used, corresponding to an integrated luminosity of 140 fb −1 . The W ± Z candidate events are reconstructed using leptonic decay modes of the gauge bosons into electrons or muons. The integrated cross-section per lepton flavour for the production of W ± Z is measured in the detector fiducial region with a relative precision of 4%. The measured value is compared with the Standard Model prediction at a precision of up to next-to-next-to-leading-order in QCD and next-to-leading-order in electroweak. Cross-sections for W + Z and W − Z production and their ratio are presented. The W ± Z production is also measured differentially as functions of various kinematic variables, including new observables sensitive to CP-violation effects. All measurements are compared with state-of-the-art Standard Model predictions from fixed-order calculations or Monte Carlo generators based on next-to-leading-order matrix elements interfaced with parton showers. An effective field theory interpretation of the measurements is performed, considering both CP-conserving and CP-violating dimension-6 operators modifying the W ± Z production. In the absence of observed deviations from the Standard Model, limits on CP-conserving Wilson coefficients are extracted using the transverse mass of the W ± Z system. For CP-violating coefficients a machine learning approach is used to construct an observable with enhanced sensitivity to CP-violation effects.

hadron-hadron scattering↗