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At least 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Tailoring High Hardness and Rigidity in Biodegradable Thermoplastic Polyurethanes

In response to escalating environmental concerns, there is a pressing demand for materials capable of delivering both sustainability and robust mechanical properties, thereby substituting nonrenewable counterparts in various applications. This study presents a comprehensive investigation into the synthesis and characterization of biobased aliphatic thermoplastic polyurethanes (TPUs) that exhibit impressive mechanical properties, including tensile strength in the range of 48–41 MPa and flexural modulus up to 2.2 GPa. These biodegradable TPUs displayed high shore A and D hardness between 95 and 98 and 51–42, respectively, and thus can be categorized as “extra hard” plastics according to the durometer scale for PUs. Herein, we have prepared a series of four 100% biobased polyester polyols from biobased diacid and chain-extender as precursors with molecular weights varying from 500 to 1400 g/mol. The corresponding TPUs that were prepared by using an aliphatic diisocyanate were evaluated for their thermal stability, microphase separation, mechanical properties, and biodegradation. By leveraging renewable feedstocks, these TPUs offer a sustainable alternative to petroleum-derived materials, with their mechanical performance meeting conventional benchmarks. Furthermore, postcomposting analysis revealed significant surface degradation, affirming their biodegradability and environmental compatibility.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A Perspective on the Successes of the NNSS Underground Test Area (UGTA) Activity - 20221

Between 1951 and 1992, 828 underground nuclear tests were performed at the Nevada National Security Site (NNSS). Underground testing was done in five major testing areas, which included (1) Frenchman Flat, (2) Rainier Mesa/Shoshone Mountain, (3) Yucca Flat/Climax Mine (4) Central Pahute Mesa, and (5) Western Pahute Mesa. About one third of the underground tests were detonated near, at or below the water table, and thus radioactive contamination was introduced to the groundwater system. The U.S. Department of Energy's Underground Test Area (UGTA) Activity was established in the late 1990's to address the fate and movement of residual radioactivity in groundwater, and characterize the risk that it may pose to NNSS workers and the offsite public. It has accomplished this goal through a process of iterative groundwater sampling and numerical groundwater flow and transport modeling, and long-term monitoring. The UGTA Activity draws on the expertise of scientists in the fields of geology, hydrology, radiochemistry, and risk assessment from the U.S. DOE staff, the lead contractor (currently Navarro) and many other organizations, in cooperation with the governing regulatory body, the State of Nevada's Division of Environmental Protection (NDEP). Los Alamos National Laboratory (LANL) is one of the participating research organizations involved with the UGTA Activity. Under the direction of DOE and the lead contractor, LANL's role in UGTA has evolved over time from an initial focus on geologic characterization, to conducting field and laboratory experiments, and finally to its current role of providing modeling and geochemistry expertise to characterize the rates and directions of groundwater and radionuclide movement. In its current role, LANL has either developed or provided the numerical tools for developing flow and transport models in each of the four major testing areas. In addition, LANL has provided an independent assessment of future groundwater flow and transport behavior through the analysis of naturally-occurring geochemical and isotopic tracers in groundwater. The five major testing areas are now in different stages of investigation or closure: (1) Frenchman Flat is in its fifth year of post closure modeling; (2) The Rainier Mesa/Shoshone Mountain Closure Report has been submitted to NDEP and is awaiting approval; (3) The Yucca Flat/Climax Mine Closure Report is under development; and (4) Central and (5) Western Pahute Mesa is still undergoing investigation and flow and transport model development. The success of the UGTA Activity in reaching or approaching closure in three of the five major testing areas is primarily due to the DoE's focus on regulatory closure requirements, but also is in part attributable to a rigorous internal review process and the involvement of NDEP and Nye County water professionals as participants and observers in the reviews. County and state involvement in the internal review process has promoted trust that the U.S. DOE is deeply committed to ensuring the present and future safely of NNSS workers and the surrounding communities. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Adaptive Sampling for In Situ Cloud Probe (Final Report)

Clouds play a leading role in the Earth's global energy and solar radiation balance and hydrological cycle. Improving cloud models requires detailed information on the cloud microphysical properties, such as droplet size distribution and number density, liquid water content and cloud composition (droplets, ice particles), which can only be provided by aerial in situ measurements. However, for many atmospheric measurement instruments, the lack of flexibility in selecting the operational mode during operation can lead to uncertainties in sampling and measurement characteristics under continuously varying atmospheric conditions. This SBIR project is developing an advanced, compact optical imaging technology for in situ characterization of cloud hydrometeors. The development involves a deep modification of the existing Mesa Photonics’ Cloud Droplet Measurement System (CDMS) in order to implement real-time automatic adaptive sampling based on the acquired in situ data and environmental parameters. The new system, CDMS-2, implements two measurement modes: side-scatter imaging for smaller hydrometeors and direct bright-field-illumination imaging for larger hydrometeors in a significantly larger sample volume. The system measures the droplet size distribution (DSD) and number density with an added capability of discriminating between liquid water and ice hydrometeors (based on polarization-resolved side-scatter imaging). The instrument will implement automatic switching or alternating between the regular side-scatter imaging mode and sparse/large hydrometeor mode (based on the acquired data). Other adaptive sampling capabilities include variable sample volume and dynamic range (based on the measured DSD). The preferred deployment platforms are uncrewed aircraft systems (UAS) and tethered balloon/kite systems (TBS). The Phase I project achieved (or exceeded) the goals listed in the Work Plan. A CDMS-2 laboratory prototype implementing the polarization-resolved side-scatter imaging mode and direct bright-field-illumination imaging mode was designed and built. Additional capabilities included the variable illumination pulse energy and sample volume. The smallest detectable droplet diameter was improved to 3–4 μm (from the nominal 10 μm value specified for the original CDMS). Discrimination between water droplets and ice particles was experimentally demonstrated. The Phase I prototype was extensively tested and calibrated in the laboratory and also tested in the Pi Cloud Chamber at Michigan Technological University (MTU). The two intensive experimental campaigns at MTU provided unique opportunities of testing the CDMS-2 laboratory prototype under realistic warm and mixed-phase cloud conditions (stable for long periods of time), testing different sampling modes and intercomparing the CDMS-2 prototype to other co-located cloud characterization instruments. The Phase I project successfully demonstrated the feasibility of the proposed technology and identified the engineering challenges of designing a field deployable prototype instrument in Phase II. The Phase I study provides a solid basis for development, characterization and field-testing of the proposed advanced cloud probe with adaptive sampling in Phase II followed by commercialization of the technology in Phase III.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Integrated Mid-Continent Stacked Carbon Storage Hub Project Phase II (Final Summary Report)

The Phase II Integrated Midcontinent Stacked Carbon Storage Hub (IMSCS-HUB) is part of the Carbon Storage Assurance Facility Enterprise (CarbonSAFE) established by the United States Department of Energy (DOE) National Energy Technology Laboratory (NETL). CarbonSAFE is phased to support the development of commercial-scale (50 million metric tonnes [Mt] over a 30-year period) carbon capture, utilization, and storage (CCUS) in the United States. The IMSCS-HUB study area comprises carbon dioxide (CO 2 ) sources in Iowa, Kansas, and Nebraska (the source corridor), and CO 2 sinks in Kansas and Nebraska (the storage corridor), representing the first large-scale project for the Midcontinent region. The stacked storage corridor is characterized by alternating sequences of deep saline formations, oil-bearing reservoirs, shale, and evaporite units that are conducive to vertically stacked CO 2 injection for geologic storage and enhanced oil recovery (EOR). Three sites within the IMSCS-HUB stacked storage corridor were evaluated in Phase II for commercial CCUS feasibility: one in southwest-central Nebraska, Sleepy Hollow Field (SHF), a second in southwestern Nebraska near Madrid (Madrid), and a third in southwestern Kansas, the Patterson Site (composed of the Patterson, Heinitz, Hartland, and Oslo fields). In Phase II, the team assessed the feasibility of storage complexes at the potential storage sites in Nebraska and Kansas to support a commercial-scale storage hub that integrates proven CO 2 capture technology and transport from nearby ethanol sources. Building on lessons learned from the DOE-NETL Regional Carbon Sequestration Partnerships (RCSPs), the Project Team has identified a clear strategy to meet DOE’s 2025 objective of commercial carbon capture and storage (CCS) implementation by developing a CO 2 market and infrastructure that relies on multiple ethanol-based CO 2 sources in the short term and the incorporation of multiple coal-fired power plant CO 2 sources when commercial capture is economically viable. The team also leveraged the updated 45Q tax credit to develop capture and transport infrastructure. Commercial-scale CCUS is feasible at two candidate storage sites studied, the Madrid, Nebraska Site and the Patterson Site in Kearny County, Kansas. The Sleepy Hollow Field in Nebraska was found to be an attractive candidate for stacked storage with CO 2 -EOR (Battelle 2020e). Outreach efforts facilitated engagement from industry, government, and research sectors (Battelle and GPI, 2020) and an outreach plan for future phases of the project was developed to address issues that are of concern in the IMSCS-HUB project area (Battelle, 2020f). All components of a CCUS project were determined to be feasible in the IMSCS-HUB region and Risk Mitigation Plan was developed and includes strategies to mitigate risks associated with each project component (Battelle, 2020j). A roadmap was developed to obtain the required UIC permits for an integrated CCUS project (Battelle, 2020k). The regional storage resource characterization demonstrated significant opportunity for commercial-scale projects in the IMSCS-HUB storage corridor with 577.4 Mt of stacked CO 2 storage capacity and the potential to produce 181.9 MMbbls of oil via EOR across 17 individual storage areas (Battelle and ARI, 2020). The pipeline assessment study found viable pipeline routes that connected 45Q-eligible ethanol plants, coal fired power plants, and other sources in the IMSCS-HUB corridor. The comprehensive results of subsurface characterization, modeling efforts, outreach assessment, and regulatory analysis from were integrated to develop a Detailed Commercial Development Plan for the IMSCS-HUB (Battelle, 2020n). Commercialization efforts will involve obtaining Class VI UIC permits, establishing and finalizing the pipeline route, and evaluating capture projects at participating CO 2 sources. Phases I and II of the IMSCS-HUB CarbonSAFE provide a strong foundation for safely, efficiently, and cost-effectively characterizing and permitting commercial-scale project sites in the region. The plan for implementation of commercial-scale CCUS projects in the IMSCS-HUB is aligned with the objectives of CarbonSAFE Phase III: Site Characterization and CO 2 Capture Assessment.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

Hydrogen Uptake Kinetics of 1,4-Bis(phenylethynyl)benzene Rubberized O-Rings: Measurements, Modeling, and Comparison with Additional Forms of Organic Getters

A class of molecules called “hydrogen getters” can react with, or scavenge, H 2 in applications where the hydrogen presence and/or buildup are not desirable. One such “getter”, 1,4-bis(phenylethynyl)benzene or DEB, can be incorporated into a silicone matrix in the form of an O-ring for added flexibility, environmental resiliency, and convenient use as a gasket in sealed applications. However, the performance and kinetics of this DEB-loaded rubberized O-ring have not yet been characterized. Here in this work, the hydrogen uptake kinetics of the rubberized DEB O-ring were extracted by the isoconversional analysis from isothermal isobaric data under conditions of 13,332 Pa H 2 and 305–325 K. The isoconversional and cylindrical diffusion approximations were then used to predict and model the hydrogen uptake of rubberized DEB O-rings under any arbitrary condition, as illustrated in this work for the simple case of a constant rate of hydrogen generation/input. In comparison with other Pd/carbon-based/organic getter systems, these rubberized DEB O-rings provide a type of hydrogen getter material with enhanced flexibility and catalyst protection in applications where an O-ring seal is needed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Deciphering electrocatalysts with multimodal operando approaches

Here, the electrocatalytic processes of a copper catalyst during nitrate electroreduction are unveiled by correlated operando microscopy and spectroscopy. Catalysts are vital to the modern chemical industry, yet their development has largely relied on trial-and-error approaches. Optimizing catalysts requires a fundamental understanding of their structure–chemical property behaviour under operational conditions. However, operando characterization remains challenging, especially for reactions occurring in the complex and dynamic liquid environments of electrochemical systems. Over the past decade, the rapid development of in situ and operando environmental transmission electron microscopy (ETEM) and microelectromechanical system (MEMS)-based closed-cell holders, enabling environmental studies within the vacuum environment of transmission electron microscopy (TEM), has substantively advanced understanding of heterogeneous catalysis, notably for gas-phase reactions. In situ ETEM enables the direct observation of the catalyst evolution in terms of structure, morphology and chemical state at the nano-to-atomic scale, providing insights into their correlation with catalytic performance.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Multiscale Characterization of the Caney Shale — An Emerging Play in Oklahoma

From a hydrocarbon perspective, the Caney Shale has historically been evaluated as a sealing unit, which resulted in limited studies characterizing the rock properties of the Caney Shale and its suitability for hydraulic fracturing. The objective of our research is to help bridge the current knowledge gap through the integration of multiscale laboratory techniques and to characterize the macro- and microscale rock properties of the Caney Shale. We employed an integrated approach for the characterization of the Caney using 200 ft (61 m) of Caney core from a target well in southern Oklahoma. Core observation and petrographic analysis of thin sections were combined to characterize the general rock types and associated fabrics and textures. Mineralogical composition, pore system architecture, and rock fabric were analyzed using x-ray diffraction (XRD), scanning electron microscopy/energy dispersive x-ray spectroscopy (SEM/EDS), and focused ion beam (FIB)-SEM. In addition, rebound hardness and indentation testing were carried out to determine rock hardness (brittleness) and elasticity, respectively. With the integrated multiscale characterization, three mixed carbonate-siliciclastic rock types were identified — mudstone, calcareous siltstone, and silty carbonate — likely representing a spectrum of deposition from low to relatively high energy environments in the distal portions of a ramp system. Silty carbonate contains mostly interparticle pores. The calcareous siltstones and silty mudstones contain a combination of organic matter pores and interparticle pores. Each of the rock types shows unique mineralogical compositions based on XRD. The mudstone lithofacies has the highest clay content and the least carbonate content. Calcareous siltstones show moderate carbonate and clay content. Silty carbonate indicates the highest carbonate content with the least clay content. In an order of mudstone, calcareous siltstone, and silty carbonate, rebound hardness and Young’s modulus show an increasing trend. As a result of rock-fluid interactions, there are potential scaling reactions during completion and production that could ultimately affect permeability and production rates. Overall, the proposed multiscale integration approach is critical for the geologic characterization of most rocks. However, in shale reservoirs dominated by microporosity and microstructure where engineered fractures are expected to provide permeability at a reservoir scale, successful integration is essential. An optimized, integrated geological characterization of the Caney Shale that is well aligned with the engineering designs in drilling, completing, and producing wellbores will ultimately lead to optimal production while providing safe and environmentally responsible operations.

Wang, Yulun↗
DOE OSTI2025

A Spatially Resolved Evaluation of Accelerated Environmental Aging on Emerging Polypropylene-Based Photovoltaic Backsheets Using Raman Spectroscopy

For this work, accelerated aging was used to assess environmental degradation in emerging co-extruded polypropylene (PP)-based backsheets under three different environmental conditions (65°C/20% relative humidity (RH), 75°C/20% RH, and 75°C/50% RH). Although differential scanning calorimetry did not measure crystallinity changes with exposure, spatially resolved Raman spectroscopy identified crystallinity increases in the core layer of aged samples, indicating a heterogeneous postcrystallization process. The Raman results were in agreement with synchrotron-based microfocused wide-angle X-ray scattering measurements. Cross-sectional nanoindentation was used to correlate localized crystallinity shifts with changes in Young's modulus. A similar trend was found where increased modulus was measured in the core layer, supporting the relationship between modulus and crystallinity. Finally, dielectric characterization was used to assess the impact of these material property changes on performance. While changes in the backsheet material properties and dielectric performance were observed with accelerated aging, these shifts generally equilibrated with time, indicating overall stability in response to environmental stressors. Additionally, the identified heterogeneous material property changes indicate that spatially resolved crystallinity measurements may be a valuable early failure indicator to be used in the assessment of PV backsheet long-term durability.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Considering coasts: Adapting terrestrial models to characterize coastal wetland ecosystems

The Energy Exascale Earth System Model (E3SM) simulates fully coupled processes and interactions among water, energy, carbon and nutrient cycles. E3SM connects vegetation and soil dynamics through nutrient uptake, plant production, litterfall and decomposition as a function of abiotic parameters (e.g. temperature and moisture). However, E3SM is designed to characterize terrestrial ecosystems and connects land and open ocean systems using a single streamflow transport term, ignoring the complex dynamics of energy, water, carbon, and nutrients in coastal systems. The goals of our project were to: (1) Parameterize a point version of E3SM to capture coastal wetland habitats and (2) Determine marsh community responses to increased temperature and elevated CO 2 . We adapted a version of the E3SM land model, previously configured to represent forested bog hydrology to a coastal ecosystem using datasets from field experiments conducted at the Smithsonian Environmental Research Center's Global Change Research Wetland (GCReW). Tidal forcing in a marsh environment was simulated using a two-column system in which the columns are connected by lateral hydrologic flows. One column simulates interactions between vegetation and soil while a second column simulates variation in water level (both tidal and sea level rise). The updated model captures many aspects of the field experiments, showing that plant community responses to environmental change are non-linear, non-additive and different between plant types. Elevated CO 2 treatments increased C 3 plant biomass more than C 4 (33% vs 17%). Temperature exacerbated CO 2 responses in C 3 plants (0 °C: 26%, 5.1 °C: 56%). We were more successful at characterizing C 3 than C 4 responses and simulating above rather than belowground biomass production. Furthermore, the next steps will include updates to key physiological parameters such as root:shoot carbon allocation and the addition of mechanistic feedbacks between vegetation and biogeochemical processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Streamlined Approach for Environmental Restoration (SAFER) Plan for Corrective Action Unit 572: Test Cell C Ancillary Building and Structures - Nevada National Security Site, Nevada with ROTC 1

This Streamlined Approach for Environmental Restoration (SAFER) Plan addresses the actions needed to achieve closure for Corrective Action Unit (CAU) 572, Test Cell C Ancillary Building and Structures, identified in the Federal Facility Agreement and Consent Order (FFACO). CAU 572 comprises the following corrective action sites (CASs) located in Area 25 of the Nevada National Security Site: CAS 25-33-01, Building 3220, Equipment Building; CAS 25-33-02, Building 3230, Motor Drive Building; CAS 25-33-03, Building 3231, Pump House; CAS 25-33-04, Building 3232, Cryogenic Evaluation Lab; CAS 25-99-22, Ancillary Facilities. This plan provides the methodology for field activities needed to gather the necessary information for closing CAU 572. There is sufficient information and process knowledge from historical documentation and investigations of similar sites regarding the expected nature and extent of potential contaminants to recommend closure of CAU 572 using the SAFER process. Additional information will be obtained by conducting a field investigation before selecting the appropriate corrective action. It is anticipated that the results of the field investigation and implementation of corrective actions will support a defensible recommendation that no further corrective action is necessary. The purpose of the corrective action investigation (CAI) will be to document and verify the adequacy of existing information; to affirm the decision for either clean closure, closure in place, or no further action; and to provide sufficient data to implement the corrective action. The actual corrective action selected will be based on characterization activities implemented under this SAFER Plan. If it is determined that complete clean closure cannot be accomplished during the CAI, then a hold point will have been reached and the Nevada Division of Environmental Protection (NDEP) will be consulted to determine whether the remaining contamination will be closed under the alternative corrective action of closure in place. This will be presented in a closure report that will be prepared and submitted to NDEP for review and approval.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Contrasting carbon dynamics in grazed and flood-prone grasslands on mineral and degraded peat soils

Ecosystem-scale methane (CH₄) flux measurements from grazed grasslands remain scarce, despite their importance for understanding grassland contributions to the global carbon budget. In this study, we present full annual budgets of both carbon dioxide (CO₂) and CH₄ derived from eddy covariance measurements at two contrasting grazed grasslands: a floodplain grassland at Marchegg, Austria, and an intensively grazed pasture at Sherman Barn, California. By combining continuous, year-round observations of CO₂ and CH₄, this study provides a rare, comparative assessment of greenhouse gas dynamics across distinct climatic, hydrological, and management regimes. Our results highlight how environmental conditions, grazing intensity, and hydrology jointly regulate CO₂ exchange and CH₄ emissions, underscoring the importance of including methane alongside net ecosystem exchange when evaluating grassland carbon balances. At Marchegg, characterized by seasonal flooding and moderate horse grazing on mineral soils, the ecosystem acted as a weak carbon sink in 2024, with a GWP 100 of 42.2 ± 113.4 g CO₂ eq m⁻². Net CO₂ uptake (–27.3 ± 30.2 g C m⁻² yr⁻¹) was partly offset by CH₄ emissions (1.6 ± 0.04 g C m⁻² yr⁻¹), which were strongly linked to soil moisture and inundation events. In contrast, Sherman Barn, a cattle pasture on degraded peat soils, was a consistent carbon source in 2019, with a GWP 100 of 567.6 ± 120.5 g CO₂ eq m⁻², associated with high ecosystem respiration during summer. The site released 125.3 ± 32.2 g C m⁻² yr⁻¹ of CO₂ and 3 ± 0.06 g C m⁻² yr⁻¹ of CH₄. Across both sites, net ecosystem exchange was primarily linked to photosynthetically active radiation and vegetation greenness, while CH₄ fluxes were related to soil moisture rather than grazing intensity. Flooding at Marchegg reduced CO₂ uptake but enhanced CH₄ emissions, highlighting the critical role of flood timing within the growing season. Moreover, inundation appeared to suppress the spread of invasive plant species, emphasizing the ecological value of dynamic hydrological regimes. Together, these findings reveal the complexity of grassland carbon budgets and the need for site-specific, year-round CO₂ and CH₄ monitoring to inform climate-adaptive management strategies.

Carbon sequestration↗
DOE OSTI2024

Importance of viewing angle: Hotspot effect improves the ability of satellites to track terrestrial photosynthesis

The product of near-infrared reflectance of vegetation and photosynthetic active radiation (NIRvP) is a new tool for monitoring gross primary productivity (GPP) dynamics in terrestrial ecosystems, due to the discovered linear correlation between NIRvP and GPP. While remote sensing-based NIRvP is considerably influenced by sensor geometry, such geometry impacts on the NIRvP-GPP relationship remain underexplored. In this study, we calculate NIRvP using observations from the Deep Space Climate Observatory (DSCOVR) that provide unique hotspot observation geometry in which the sensor viewing angle coincides with the sun direction. We evaluated the linear correlation between NIRvP and GPP in both the common nadir direction and the special hotspot direction. The results indicate that NIRvP in the hotspot direction significantly outperforms that in the nadir direction for tracking GPP variations across different ecosystems from diurnal to daily scales. This conclusion is further supported by data from the MODerate resolution Imaging Spectroradiometer (MODIS) and simulations using the Soil Canopy Observation Photosynthesis Energy (SCOPE) model. Finally, our research highlights the value of using the unconventional hotspot-based sun-tracking satellite observations for a more accurate characterization of GPP dynamics in terrestrial ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Three‐Dimensional Permeability Inversion Using Convolutional Neural Networks and Positron Emission Tomography

Abstract Quantification of heterogeneous multiscale permeability in geologic porous media is key for understanding and predicting flow and transport processes in the subsurface. Recent utilization of in situ imaging, specifically positron emission tomography (PET), enables the measurement of three‐dimensional (3‐D) time‐lapse radiotracer solute transport in geologic media. However, accurate and computationally efficient characterization of the permeability distribution that controls the solute transport process remains challenging. Leveraging the relationship between local permeability variation and solute advection behavior, an encoder‐decoder based convolutional neural network (CNN) is implemented as a permeability inversion scheme using a single PET scan of a radiotracer pulse injection experiment as input. The CNN can accurately capture the 3‐D spatial correlation between the permeability and the radiotracer solute arrival time difference maps in geologic cores. We first test the inversion accuracy using synthetic test datasets and then test the accuracy on a suite of experimental PET imaging datasets acquired on four different geologic cores. The network‐predicted permeability maps from the geologic cores are used to parameterize forward numerical models that are directly compared with the experimental PET imaging data. The results indicate that a single trained network can generate robust 3‐D permeability inversion maps in seconds. Numerical models parameterized with these permeability maps closely capture the experimentally observed solute arrival time behavior. This work provides an unprecedented approach for efficiently characterizing multiscale permeability heterogeneity in complex geologic samples.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

High-throughput genetic engineering of nonmodel and undomesticated bacteria via iterative site-specific genome integration

Efficient genome engineering is critical to understand and use microbial functions. Despite recent development of tools such as CRISPR-Cas gene editing, efficient integration of exogenous DNA with well-characterized functions remains limited to model bacteria. Here, we describe serine recombinase–assisted genome engineering, or SAGE, an easy-to-use, highly efficient, and extensible technology that enables selection marker–free, site-specific genome integration of up to 10 DNA constructs, often with efficiency on par with or superior to replicating plasmids. SAGE uses no replicating plasmids and thus lacks the host range limitations of other genome engineering technologies. We demonstrate the value of SAGE by characterizing genome integration efficiency in five bacteria that span multiple taxonomy groups and biotechnology applications and by identifying more than 95 heterologous promoters in each host with consistent transcription across environmental and genetic contexts. We anticipate that SAGE will rapidly expand the number of industrial and environmental bacteria compatible with high-throughput genetics and synthetic biology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Ecosystems and Networks Integrated with Genes and Molecular Assemblies (ENIGMA) (Final Scientific/Technical Report, Subcontract Award No. 6953691)

The overarching objective the Baliga lab is to develop a mechanistic understanding of the field relevant metabolic processes underlying community partitioning of respiration pathways and physiological state shifts. In order to dissect how environmental perturbations influence microbial regulatory networks, we have constructed data-driven models that capture the dynamic interplay between abiotic and biotic factors during laboratory simulations. Specifically, we have developed multiple computational models (i.e., cMonkey2, EGRIN 2.0, and multiple genome-scale metabolic models) connecting environmental influence to genome-encoded regulatory programs. In addition, we have generated new tools such as Live Anaerobic Cell Sorting (LAnCS) and Fluidized Bed Reactors (FBRs) to investigate the dynamics of community partitioning of metabolic processes supporting sulfate or nitrate respiration, which are two critical activities observed from the field site at Oak Ridge National Labs (ORNL). This framework of connecting field phenomena with laboratory simulations and computational modeling has created the Environmental Simulations and Modelling (EnvSim) campaign within ENIGMA. The campaign, which spans multiple laboratories across ENIGMA and is led by the Baliga group, has established synthetic communities (SynComs) to discover, characterize, and dissect key microbial processes relevant to field observations, such as emissions of the greenhouse gas nitrous oxide (N 2 O). For example, the EnvSim campaign so far has deduced four potential mechanisms that may account for the N 2 O emissions at the FRC and are currently being investigated by labs across ENIGMA. Denitrification may be driven by complete denitrifiers, however, their NosZ enzymes, which catalyze the final step in denitrification by converting N 2 O to N 2 , may be sensitive at a lower pH. Additionally, the denitrification process could be partitioned among organisms and some may have pH-sensitive NosZ genes. Another factor contributing to variable N 2 O emissions relates to the metal co-factors involved in the denitrification pathway. For instance, excess Cu, Al, Mn, U, Ni, Co, Cu, and/or Cd may have inhibitory effects on multiple enzymatic steps during denitrification, while the enzymatic production of nitrite, the precursor of N 2 O, can be limited by the essential metal Mo. Lastly, abiotic production of N 2 O may occur as a result of chemodenitrification, in which metals like Fe, Mn, and some organic compounds can drive redox reactions that convert nitrogen cycle intermediates to N 2 O under the right conditions. Current investigations and analyses have generated multiple transcriptomic profiles aiding the refinement of new metabolic and gene regulatory network model for our denitrifying SynCom. In sum, the previous funding cycle has generated 33 peer-reviewed publications spanning predictive network biology to co-operativity of mutualistic interspecies interactions of evolved communities. Our integration of multiple omics datasets and the development of new network modelling tools has revealed important insights that can explain field observed phenomenon and generated new hypotheses to be investigated in the field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Measurement report: Properties of aerosol and gases in the vertical profile during the LAPSE-RATE campaign

Abstract. Unmanned aerial systems (UASs) are increasingly being used as observation platforms for atmospheric applications. The Lower Atmospheric Process Studies at Elevation – a Remotely-piloted Aircraft Team Experiment (LAPSE-RATE) in Alamosa, Colorado, USA, on 14–20 July 2018 investigated and validated different UASs, measurement sensors and setup configurations. Flight teams from the Finnish Meteorological Institute (FMI) and Kansas State University (KSU) participated in LAPSE-RATE to measure and investigate properties of aerosol particles and gases in the lower atmosphere. During the experiment, the performance of different UAS configurations were investigated and confirmed to operate reliably, resulting in a scientifically sound observational dataset. As an example, concentration of aerosols – including two new particle formation events, CO2 and water vapor, and meteorological parameters in the atmospheric vertical profile were measured during the short experiment. Such observations characterizing atmospheric phenomena of this specific environment would have not been possible in any other way and, thus, demonstrate the power of UASs as new, promising tools in atmospheric and environmental research.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Development of Post-Consumer Textile Waste Degradation Protocol and Related Downstream Transformations: Cooperative Research and Development (Final Report)

Tereform, Inc. (Tereform) is developing molecular deconstruction processes to transform waste materials into chemical building blocks. During the CRADA, Tereform deconstructed real-world post-consumer substrates into chemical monomers, validated their performance on laboratory scales, demonstrated feasibility of the degradation products in downstream transformations, and successfully scaled the reaction to kilogram-scale. These results were used to develop and refine technoeconomic analysis and lifecycle assessments to evaluate the economic feasibility and environmental impacts of the process.

36 MATERIALS SCIENCE↗