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At least 1,261 records · Page 70

Editorial for Special Issue “Advances in Soil Microbiome”

The soil microbiome (the community of all soil microorganisms and their surrounding environment) is a critical part of our ecological network. These microbial communities carry out several important functions, including the promotion of plant growth and the cycling of carbon and nitrogen sources. Despite the importance of this community, and the recent advances in multi-omic analysis and other methods designed to query complex systems, there is a still a large knowledge gap regarding the soil microbiome, its response to changing climates and moisture levels, the specific molecular mechanisms that drive its role in the environment, and how these questions can be answered through the use of model systems. Here, we present eleven new papers that seek to answer these questions and expand our knowledge of the soil microbiome.

59 BASIC BIOLOGICAL SCIENCES↗

Suitable low Global Warming Potential (GWP) refrigerants for two-speed Heat Pumps for residential applications based on speed Heat Pumps for residential applications based on simulated performance simulated performance

Cold climate Heat Pumps (CCHPs) using single-speed compressors in tandem have been successfully built and tested to reach its performance metrics with outdoor temperatures as low as -25°C. CCHPs must be designed to alleviate the problems of too high discharge temperatures, low suction pressure and high-pressure ratio at low ambient conditions and insufficient heating capacity relative to the heating capacity at 8.3°C. In this paper we recognize those concerns. Low-GWP refrigerants are screened based on the shape of their T-S saturation boundary. Simulations of the performance of low-GWP refrigerants (R32, R454B, R466A, and R452B) relative to R410A is done using the DOE/ORNL Heat Pump Design Model at the component level. Systemic inefficiency, the root cause of lost work, is addressed by component-level exergy analysis to refine design options. CCHPs using low-GWP refrigerants addresses issues of reducing energy consumption, lowering carbon footprint, and enabling environmentally sustainability. The CCHP was designed to meet a HSPF > 11.0 and SEER > 15.0 having adequate heat pump heating capacity down to -25°C. It is estimated that at least 2.6 million U.S homes using electric furnaces and heat pumps in cold or very old climates with an annual energy consumption of 0.17EJ would benefit by CCHPs.

Ally, Moonis↗

Characterization of Contaminants and Mobility in WMA A-AX Boreholes D0006 and D0008

This study was initiated to determine if subsurface contaminants in the A-AX vadose zone at the Hanford site (boreholes D0006 and D0008) caused corrosion of nearby stainless steel well casings (299-E-24-19, 299-E25-46, and 299-E25-236) and, based on the type and distribution of contaminants, determine if contaminants are from one or more sources including a) the A-104 and/or A-105 tanks, b) the 242A evaporator, and c) the 200-E-286 ditch. A tiered approach was used for characterizing contaminants in vadose zone sediments starting with mobile and total contaminant concentrations (Tier 1), characterizing contaminant speciation (Tier 2), and measuring contaminant leaching (Tier 3). Total and mobile contaminant measurements at seven depths showed elevated sulfate and nitrate in all samples (130 to 280 ft depth), elevated chloride in five depths, and no elevated radionuclides except I-129 in D0006 at 206 to 208 ft depth. If these contaminants were initially acidic, stainless-steel corrosion would occur. However, because sediments likely have a high acid neutralization capacity, an acidic spill would have been neutralized within tens of feet, so casing corrosion would likely occur in shallow sediments. GEL labs data also shows low (but above natural) chromate from shallow to 170 ft depth, then higher chromate to 280 ft, suggesting a surface Cr spill or casing corrosion. GEL labs data also showed evidence of more than one plume, with deep nitrate, sulfate, and chloride migration, but only shallow tritium migration. Tritium should migrate nearly unretarded in the subsurface like nitrate and chloride. Elevated aqueous cations and anions in the D0006 206 to 208' depth pore water (SO 4 2- , NO 3 - , Na + , K + , Ca 2+ , Mg 2+ , Si) could be the result of acid disposal and calcite dissolution at shallow depth, with deeper migration of SO 4 2- , NO 3 - from acids and Ca 2+ and Mg 2+ from calcite. Elevated Si (160 mg/L) indicates dissolution of clays or other silicates, which can also occur in acids. Acid extractable metals did show elevated Cr (but not Fe, Ni, Mo, and Mn) above natural levels, which may indicate stainless-steel well corrosion or transport of metals from a shallow spill. The elevated I-129 in D0006 at 206 to 208' depth was low with 0.34 μg/g in pore water and 1.5 μg/g total extractable I-129 in the sediment, which indicates significant fraction of I-129 was bound in one or more precipitates. Although total I-129 was below detection limits in most extractions due to high molybdate interference, I-127 analysis provided some insight into potential precipitate phases. Total I-127 was mainly extracted by acetate or acetic acid (67%), which may be iodine in calcite. Inorganic carbon measurement identified 1.65% calcite, and total organic carbon (TOC) was below detection limits, so iodine was not associated with organic matter. Nearly all the I-127 was present as iodide. In 1-D leach experiments, I-127 as iodide leached from the sediment within 2 pore volumes. Due to high and dynamic molybdate leaching from the sediment and interference with I-129 analysis, there were few quantifiable I-129 measurements. The calculated molybdate release rates from the sediment suggested Mo was being released from the same precipitate phase, such as molybdate incorporated into calcite. Overall, because there was little radioactive contamination measured in D0006 and D0008 boreholes, potential releases from A-104 and A-105 did not reach this location south of the A tank farm. Elevated cations and anions found in D0006 and D0008 at depth as the result of acidic disposal could cause shallow stainless steel casing corrosion. The nearby 242A evaporator generally contained alkaline waste and tritium, but the nearby 200-E-286 ditch generally contained high Cl - liquid effluent, so these are unlikely to be acidic sources.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Surrogate-assisted optimization under uncertainty for design for remanufacturing considering material price volatility

Remanufacturing is a well-established end-of-life (EOL) strategy that promises significant savings in energy and carbon emissions. However, the current design practices are not remanufacturing-inclusive, i.e., the majority of products are designed for a single life cycle. As a result, potential products that can sustain multiple life cycles are deprived of additional benefits of being designed for remanufacturing, such as reduced material usage, lower cost, and improved environmental impact. Moreover, the uncertainty in design, material selection, and economics are not considered to produce remanufacturable designs. Accordingly, this research proposes a design for remanufacturing (DfRem) framework that accounts for design uncertainty and material price volatility. The framework systematically explores the design space, performs design optimization under uncertainty, followed by topology optimization to provide additional mass savings, and finally, a price volatility analysis for plausible design material choices. The candidate designs are evaluated based on their design mass, material price volatility, failure mode characteristics, carbon footprint, and embodied energy impacts. The proposed framework's utility is demonstrated via the use of an engine cylinder head case study subjected to thermo-mechanical loads along with fatigue and wear failure. Considering grey cast iron and aluminum alloy as the design material choices, it was found that the cast iron design reduced the initial design mass by 6% as opposed to a 5% decrease for aluminum. On the other hand, about 8% area of the cast iron design failed due to fatigue, compared to 3% for aluminum. Here, we further observed that although the aluminum design provided better mechanical performance than the cast iron design, this material was more expensive and volatile in price.

36 MATERIALS SCIENCE↗

Life cycle energy demand and carbon emissions of scalable single-junction and tandem perovskite PV

Perovskite photovoltaics reached record efficiencies in the laboratory and, if sustainably commercialized, they would accelerate a green energy transition. Here, this article presents the development of life-cycle inventory material and energy databases of most promising four single-junction and three tandem scalable perovskite systems with assumptions regarding scalable production validated by industry experts. We conducted comprehensive “ex ante” Life Cycle Analysis (LCA) and Net Energy Analysis, analyzing their cumulative energy demand, global warming potential profiles, energy payback times and energy return on investment (EROI). LCA contribution analysis elucidates the most impactful material and process choices. It shows that solution-based perovskite manufacturing would have lower environmental impact than vapor-based methods, and that roll-to-roll (RtR) printing offers the lowest impact. Among material choices, MoOx/Al has lower impact than Ag, and fluorine-tin-oxide lower than indium-tin-oxide. Furthermore, we compare perovskites with commercial crystalline-silicon and thin-film PV, accounting for the most recent developments in crystalline-Si wafer production and differences in life expectancies and efficiencies. It is shown that perovskite systems produced with RtR manufacturing could reach in only 12 years of life the same EROI as that of single-crystalline-Si PV lasting 30-years. This work lays a foundation for sustainability investigations of perovskite large-scale deployment.

14 SOLAR ENERGY↗

Core-Shell Oxidative Aromatization Catalysts for Single Step Liquefaction of Distributed Shale Gas (Final Technical Report)

The objective of this project was to design and demonstrate a core-shell structured multifunctional catalyst to convert the light (dry) components of shale gas into liquid aromatic compounds (primarily benzene and toluene) in a single step. Operated in a modular oxidative aromatization system (OAS) under a cyclic redox scheme, the novel catalyst and process can significantly improve the value and transportability of distributed shale gas. Since the project started, each quarter addressed a different set of tasks related to the completion of the milestone detailed in the project award. The yearly summaries of these tasks are summarized below: Q1-Q4: • Conducted project planning and literature search. • Investigated a number of SHC redox catalysts using thermogravimetric analysis and fixed-bed reactor experiments. • Initiated process modeling towards generating two process models for the methane DHA base case and OAS process. • Developed DHA catalysts capable of producing >500 g/kg-cat-hr aromatics at 80% or greater aromatics selectivity at 700°C. Q5-Q8: • Developed alternative approaches with sequential bed configurations to enhance the aromatic yields based on OCM+DHA • Improved the zeolite synthesis efficiency by using the microwave-assisted technique and investigated the synthesis conditions on the zeolite yield, crystalline structure and morphology • Constructed a set of Aspen Plus process models with significant energy savings for OAS as compared to the base case non-oxidative DHA. • Adapted conventional hydrothermal method to be applicable to the microwave synthesizer unit for more efficient catalyst synthesis. • Studied the structure of the OCM catalyst and the dispersion of the carbonate in the redox reactions and in methane flow with Raman Spectroscopy. Q9-Q12: • Scaled up the catalyst synthesis with the microwave synthesis method. Based on its performance, procedural characterizations and catalytic performance testing were further conducted for the new microwave synthesized catalysts with the newly-developed product analysis procedure. • Developed the reaction system setup for the C2-DHA or OCM+DHA reaction product and achieved a better product collection-analysis method for the aromatic products with an improved carbon balance. The product from the OCM reaction exhibited complicated effects on the DHA catalyst. • Conducted additional OCM catalyst characterization using Near Ambient Pressure X-ray Photoelectron Spectroscopy and in situ Raman characterization • Validated the significant energy savings for OAS as compared to the base case non-oxidative DHA. Successfully set up the simulation model for the OCM+DHA+SHC reaction system based on the updated experimental results from NCSU. Q13-End of project: • Synthesized new zeolite catalysts by the microwave method, conducted characterizations (XRD, SEM, and TEM) and catalytic behavior testing. • Explored the “wet” C 2 H 6 and C 2 H 4 DHA reactions with using steam co-feed. A subsequent reduction as the regeneration step can regenerate the DHA catalyst and recover 99% activity of the fresh performance. • Achieved a 15.3% single-pass aromatic yield from methane by rationally combining the OCM and DHA at different temperatures. • Conducted a 105-hour stability test with an improved regeneration procedure, with an average aromatic yield of 13.8%. • Developed new catalyst and achieved a record-high 23.2% yield.

03 NATURAL GAS↗

Mechanical behavior analysis using small-size graphite disc compression testing with digital image correlation methods

The ASTM International Standard Test Method for Tensile Stress-Strain of Carbon and Graphite (ASTM C749) requires dog-bone shaped specimens. Unfortunately, specimen sizes required in ASTM C749 are much too large for irradiation within a test reactor and are incompatible with irradiation capsule volumes, molten salt degradation facilities, or oxidation apparatus. The ASTM International Standard Test Method for Tensile Strength Estimate by Disc Compression of Manufactured Graphite (ASTM D8289) was developed as an alternative that provides a means for testing tensile properties using smaller specimens when geometric constraints are present. However, the important stress–strain relation throughout the test loading history that could be recorded using ASTM C749 is lost by using ASTM D8289 because of the difficulties involved with using traditional strain gauges or extensometers on such a small specimen. In this work, a digital image correlation (DIC) method, which uses a full-field noncontact surface displacement measurement technique, was applied along with the ASTM D8289 splitting tensile test on eight small samples of graphite grade Mersen 2114 to track their deformation during compressive loading. Initial results showed that the DIC technique can measure the surface displacement/strain on these small (Ø6 × 3 mm) graphite specimens with high accuracy and good repeatability, indicating that the DIC technique, combined with the small-disc splitting tensile test in ASTM D8289, can capture the strain evolution in the test. In conclusion, further comparison of measured strains with analytical and numerical simulation results provides additional understanding of the mechanical behaviour of this nuclear graphite material in complex stress states.

36 MATERIALS SCIENCE↗

Data Science-Driven Analysis of Substrate-Permissive Diketopiperazine Reverse Prenyltransferase NotF: Applications in Protein Engineering and Cascade Biocatalytic Synthesis of (-)-Eurotiumin A

Prenyltransfer is an early-stage carbon-hydrogen bond (C-H) functionalization prevalent in the biosynthesis of a diverse array of biologically active bacterial, fungal, plant, and metazoan diketopiperazine (DKP) alkaloids. Toward the development of a unified strategy for biocatalytic construction of prenylated DKP indole alkaloids, we sought to identify and characterize a substrate-permissive C2 reverse prenyltransferase (PT). As the first tailoring event within the biosynthesis of cytotoxic notoamide metabolites, PT NotF catalyzes C2 reverse prenyltransfer of brevianamide F. Solving a crystal structure of NotF (in complex with native substrate and prenyl donor mimic dimethylallyl S-thiolodiphosphate (DMSPP)) revealed a large, solvent-exposed active site, intimating NotF may possess a significantly broad substrate scope. To assess the substrate selectivity of NotF, we synthesized a panel of 30 sterically and electronically differentiated tryptophanyl DKPs, the majority of which were selectively prenylated by NotF in synthetically useful conversions (2 to > 99%). Quantitative representation of this substrate library and development of a descriptive statistical model provided insight into the molecular origins of NotF's substrate promiscuity. This approach enabled the identification of key substrate descriptors (electrophilicity, size, and flexibility) that govern the rate of NotF-catalyzed prenyltransfer, and the development of an "induced fit docking (IFD)-guided" engineering strategy for improved turnover of our largest substrates. We further demonstrated the utility of NotF in tandem with oxidative cyclization using flavin monooxygenase, BvnB. This one-pot, in vitro biocatalytic cascade enabled the first chemoenzymatic synthesis of the marine fungal natural product, (-)-eurotiumin A, in three steps and 60% overall yield.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Q 10 of in situ microbial soil respiration varies with mean annual temperature, precipitation, pH, and plant cover: a meta-analysis and spatial prediction of Q 10

The temperature sensitivity of soil microbial respiration, commonly quantified using the Q 10 coefficient, is a key parameter in carbon cycle models. Uncovering how environmental factors affect in situ Q 10 values can therefore provide critical insight into potential shifts in global carbon stocks under climate change. We collected data from previously published field experiments that measured soil microbial respiration across a range of temperatures. We hypothesized that the Q 10 coefficient of in situ soil microbial respiration would vary based on environmental factors including mean annual temperature (MAT), mean annual precipitation (MAP), plant cover type, pH, soil C:N, and latitude. Linear regression revealed that Q 10 correlates negatively with MAT and MAP and positively with pH and absolute latitude. Additionally, average Q 10 varied significantly across different plant cover types; it was highest in mountain grasslands and lowest in tropical moist forests. Variation in microbial Q 10 across environmental factors may arise from underlying mechanisms such as enzyme kinetics, substrate availability and complexity, and microbial adaptation. To capture patterns in Q 10 more comprehensively, we developed a multiple linear regression model of Q 10 based on the most individually significant environmental drivers and applied it to public datasets to generate a global map of predicted Q 10 . Q 10 was higher in high-latitude and high-altitude regions, where large permafrost carbon stores are vulnerable to thawing and decomposition. We also compared fits between the Q 10 equation and a model produced from macromolecular rate theory (MMRT). We found that the MMRT model had the superior fit and may be better suited to model temperature sensitivity of complex biological reactions. Overall, our results emphasize that relationships between microbial Q 10 and environmental variables should be accounted for in climate models. Incorporating these variations in the Q 10 parameter, rather than using a fixed value, will help predict whether CO 2 emissions will be buffered or exacerbated by soil microbial respiration under climate change.

54 ENVIRONMENTAL SCIENCES↗

STREAM: Strategic Technology Roadmapping and Energy, Environmental, and Economic Analysis Model

This is the implementation of the framework for the planning of the technological makeup of the industrial sector. Motivated by the efforts to achieve carbon neutrality, the model of this framework modifies the portfolio of technologies over time for the sector of interest such that, - Net Present Value (NPV) is minimized - Constraint on Greenhouse Emissions (GHG), e.g. carbon dioxide, is satisfied - Demand of the underlying commodity is satisfied - The current implementation reflects a case study for the electric power sector. The for a given initial set of capacities of different vintages, the space of decisions include, - Retirement of the existing capacities. - Retrofitting the existing capacities to alternative characteristics. - Creation of new capacities from a technology portfolio. All the associated quantities with the deployments, e.g. CO2, heat requirement, etc.

Thiery, David↗

Diffusivity Analysis

Summary: The analytical instrumentation being used is a DVS system. The materials being tested are C-CE resin and C-Ph resin with carbon fiber content. The objective is to find and use the sorption kinetics to determine the diffusivity of the samples.

36 MATERIALS SCIENCE↗

Diffusivity Analysis

Summary: The analytical instrumentation being used is a DVS system. The materials being tested are C-CE resin and C-Ph resin with carbon fiber content. The objective is to find and use the sorption kinetics to determine the diffusivity of the samples.

47 OTHER INSTRUMENTATION↗

Well-Log Derived Geomechanical Analysis of Microseismicity in the Mt. Simon Saline Aquifers (Illinois Basin - Decatur Project)

The Illinois Basin Decatur Project (IBDP) successfully demonstrated the safe geologic storage of carbon dioxide at a commercial scale. Within the IBDP project three deep wells (injection (CCS1), monitoring (VW1), geophysical (GM1)) were competed and geophysical logs were recorded. During injection and post-injection periods microseismic monitoring was conducted to create a miscoseismic catalog. The correlations between microseimic attributes and geomechanical well logs define major geomechanical drivers of microseismic expression to understand a reservoir response to CO2 injection in geological context. Utilizing standard sonic and density well logs, the dynamic elastic moduli were calculated and employed to correlate with microseismic pseudo-logs. A multi-dimensional Mu-rho and Lambda-rho (MRLR) hyperdimensional plots display of meaningful data and uncovered subtle relationships between elastic properties of sandstones and the seismological attributes of recorded microseismicity.

Myshakin, Evgeniy↗

Measurement of Volatile Compounds for Real-Time Analysis of Soil Microbial Metabolic Response to Simulated Snowmelt

Snowmelt dynamics are a significant determinant of microbial metabolism in soil and regulate global biogeochemical cycles of carbon and nutrients by creating seasonal variations in soil redox and nutrient pools. With an increasing concern that climate change accelerates both snowmelt timing and rate, obtaining an accurate characterization of microbial response to snowmelt is important for understanding biogeochemical cycles intertwined with soil. However, observing microbial metabolism and its dynamics non-destructively remains a major challenge for systems such as soil. Microbial volatile compounds (mVCs) emitted from soil represent information-dense signatures and when assayed non-destructively using state-of-the-art instrumentation such as Proton Transfer Reaction-Time of Flight-Mass Spectrometry (PTR-TOF-MS) provide time resolved insights into the metabolism of active microbiomes. In this study, we used PTR-TOF-MS to investigate the metabolic trajectory of microbiomes from a subalpine forest soil, and their response to a simulated wet-up event akin to snowmelt. Using an information theory approach based on the partitioning of mutual information, we identified mVC metabolite pairs with robust interactions, including those that were non-linear and with time lags. The biological context for these mVC interactions was evaluated by projecting the connections onto the Kyoto Encyclopedia of Genes and Genomes (KEGG) network of known metabolic pathways. Simulated snowmelt resulted in a rapid increase in the production of trimethylamine (TMA) suggesting that anaerobic degradation of quaternary amine osmo/cryoprotectants, such as glycine betaine, may be important contributors to this resource pulse. Unique and synergistic connections between intermediates of methylotrophic pathways such as dimethylamine, formaldehyde and methanol were observed upon wet-up and indicate that the initial pulse of TMA was likely transformed into these intermediates by methylotrophs. Increases in ammonia oxidation signatures (transformation of hydroxylamine to nitrite) were observed in parallel, and while the relative role of nitrifiers or methylotrophs cannot be confirmed, the inferred connection to TMA oxidation suggests either a direct or indirect coupling between these processes. Overall, it appears that such mVC time-series from PTR-TOF-MS combined with causal inference represents an attractive approach to non-destructively observe soil microbial metabolism and its response to environmental perturbation.

59 BASIC BIOLOGICAL SCIENCES↗

STATISTICAL ANALYSIS OF IN-SERVICE ULTRASONIC INSPECTION DATA OF WASTE TANKS AT THE SAVANNAH RIVER Site-25021

Liquid radioactive waste has been stored in large, underground carbon steel tanks of 4.92-million-liter capacity at the United States Department of Energy's Savannah River Site (SRS) in Aiken, South Carolina since the 1950s. The In-service inspection of the Savannah River Site High Level Waste tanks will be reviewed as well as Ultrasonic testing (UT) for detecting for general wall thinning, pitting and interface attack through accessible regions of the tanks. In-service inspection [1] of the Savannah River Site (SRS) High Level Waste (HLW) tanks is an essential element of a comprehensive structural integrity program. Inspection confirmed the effectiveness of chemistry and temperature controls used to preclude localized and general corrosion of the tanks. Ultrasonic testing is used to detect general wall thinning, pitting and interface attack, as well as vertically oriented cracks through inspection of a 21.59 cm (8.5-in.) wide strip extending over the accessible height of the primary tank wall.

Harris, Stephen P.↗

A Life Cycle Analysis Framework for Point Source Capture Systems

NETL studies the costs and benefits of PSC for electricity, industry, and mobile applications. Mobile point source capture (MPSC) and storage applied to freight modes captures emissions directly from exhaust. This poster presents a framework for conducting LCA of PSC systems applied to heavy-duty trucks, freight trains, and marine vessels. The framework defines a wheels-to-storage (gate-to-grave) boundary, including energy demands (electricity, heat, and cooling requirements), solvent use and cycling, onboard system components, carbon storage in a saline aquifer, and upstream manufacturing impacts for equipment, with a suggested functional unit of 1 tonne-km. Potential data sources for analysis include material, energy, and operational data from Oak Ridge National Laboratory, GREET (Greenhouse gases, Regulated Emissions, and Energy use in Technologies) model, and scientific literature. The suggested analytical approach includes comparison to publicly available business-as-usual systems without capture across all modes of transportation, sensitivity to composition of the capture solvent, and sensitivity to capture rate variation, all of which would support a wholistic PSC business case analysis. For future consideration, analysis can be augmented with consideration of different sources of electricity (e.g., nuclear), fuel substitution, deploying supportive infrastructure such as pipeline offloading points, and downstream applications like enhanced oil recovery (EOR).

life cycle analysis (LCA)↗

Large scale energy analysis and renovation strategies for social housing in the historic city of Venice

Social houses built after the Second World War to accommodate workers and low-income families represent one of the major energy consumers and greenhouse gas emitters in the residential sector. Plans for their renovation are underway in all European countries, and the process is more complicated for Italian cities due to the lack of space and the large number of historical buildings. This study addresses this challenge by proposing a methodology to renovate a low-income district in the city of Venice using CityBES to model and evaluate energy conservation measures. CityBES is a web-based tool that allows users to employ urban building energy modeling for large-scale energy and retrofit analyses of building stocks. In the case study conducted for Venice's Santa Marta district, due to the particular context, four common energy conservation measures covering both the building envelope and heat generation boilers have been applied. The evaluation of energy-saving performances at the district level showed that the four measures together achieved 67% energy savings, an abatement in energy cost equal to 67%, and annual carbon dioxide emissions reduction of 1.1 MtCO 2 . Furthermore, the case study demonstrates a method and workflow replicable for energy retrofit analysis of building stocks in other historical districts.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗