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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 523 records · Page 29

Sensitive Resources Assessment and Forest Analysis for The SSP-2A Parcel and Proposed Oak Ridge Enhanced Technology and Training Center (ORETTC), Oak Ridge, Tennessee

This report summarizes current knowledge of natural and cultural resources associated with potential land use changes within an 81-acre (32.8-hectare) parcel, termed SSP-2A, on the US Department of Energy’s (DOE’s) Oak Ridge Reservation (ORR) in Oak Ridge, Tennessee (Figure 1). A primary goal for the work presented here was to evaluate potential impacts to sensitive resources within the SSP-2A parcel that might result from land disturbance and construction of the Oak Ridge Enhanced Technology and Training Center (ORETTC). In addition to on-the-ground surveys of the ORETTC footprint and SSP-2A parcel during summer 2020 (Figure 1), this report leverages historical (pre-1995) and contemporary (1995–present) data from additional sources such as the Tennessee Department of Environment and Conservation (TDEC). The individuals who obtained and compiled the data that are presented here are familiar with and routinely assess, manage, and research sensitive resources on the ORR. This report should facilitate more environmentally sound decisions during planning and development of the ORETTC, provide a foundation for further assessment of sensitive and cultural resources associated with the broader SSP-2A parcel (should additional actions take place), and help project managers address regulatory guidance and DOE policy on sustainable development. Those who reference this report must consider that the timing of surveys does not permit complete delineation of resources. Data deficiencies are indicated where possible. Additional surveys may be required to account for seasonal patterns of various threatened and endangered species (e.g., bats), and additional assessment will be required if activities extend beyond the ORETTC site (Figure 2).

54 ENVIRONMENTAL SCIENCES↗

51 V NMR evidence for interlayer-modulated charge order and a first-order low-temperature transition in CsV 3 ⁢Sb 5

Charge order in the kagome superconductor CsV 3 ⁢Sb 5 exhibits a complex three-dimensional organization and intermediate-temperature anomalies whose bulk character has remained unsettled. We use orientation-dependent 51 V NMR as a site-selective probe to determine the stacking of the charge density wave (CDW) state and its thermal evolution. Below 𝑇 CDW ≈ 94K, the field-linear splitting of the 51 V central transition together with the anisotropy of the Knight shift tensor identify an interlayer-modulated 3⁢𝑞 CDW whose local environments are consistent with a four-layer 2 × 2 × 4 stacking with mixed trihexagonal/Star-of-David distortions, in agreement with synchrotron x-ray determinations. For comparison, RbV 3 ⁢Sb 5 serves as a reference exhibiting a uniform trihexagonal 2 × 2 × 2 stacking, allowing us to isolate features unique to the 2 × 2 × 4 state in CsV 3 ⁢Sb 5 . With 𝐻 0 ∥ 𝑐, the 51 V quadrupolar satellites through the intermediate temperature scale near 𝑇 CO ≈ 65K reorganize into two well-resolved electric-field-gradient manifolds that coexist over a finite interval; their relative spectral weights interchange on cooling while the total integrated satellite intensity remains conserved and 𝜈 𝑄 within each manifold is nearly temperature independent. The coexistence without critical broadening, together with conserved intensity, provides bulk evidence consistent with a first-order charge-order transition near 𝑇 CO . Our measurements do not resolve whether this lower-temperature transition corresponds to a distinct in-plane order or a reorganization of the 3⁢𝑞 state; rather, they delimit this window and provide bulk, site-resolved constraints that connect prior reported anomalies to a thermodynamic first-order transition.

Wang, Xiaoling [California State Univ., East Bay, ↗

Results for Gamma-Ray Spectroscopy Characterization of Residual Radioactivity on Personal Protective Clothing

In early 2019, Health Physics Services (HPS) personnel put together a test plan to use the shielded gamma-ray spectroscopy instruments in the Health Physics Services Technical Laboratory (HPSTL) to perform a series of measurements on laundered personal protective clothing used in radiological areas at the Savannah River Site (SRS). That test plan describes the methodology used to determine the quantities of laundry to be obtained from operational facilities, the methods for quality control checking the instruments throughout the measurement period, and the physical arrangement of samples in the counting shields. The test plan is documented in SRNS-J6700-2019-00037 (Reference 1).

61 RADIATION PROTECTION AND DOSIMETRY↗

Development of a Benchmark Eddy Flux Evapotranspiration Dataset for Evaluation of Satellite-Driven Evapotranspiration Models Over the CONUS

A large sample of ground-based evapotranspiration (ET) measurements made in the United States, primarily from eddy covariance systems, were post-processed to produce a benchmark ET dataset. The dataset was produced primarily to support the intercomparison and evaluation of the OpenET satellite-based remote sensing ET (RSET) models and could also be used to evaluate ET data from other models and approaches. OpenET is a web-based service that makes field-delineated and pixel-level ET estimates from well-established RSET models readily available to water managers, agricultural producers, and the public. The benchmark dataset is composed of flux and meteorological data from a variety of providers covering native vegetation and agricultural settings. Flux footprint predictions were developed for each station and included static flux footprints developed based on average wind direction and speed, as well as dynamic hourly footprints that were generated with a physically based model of upwind source area. The two footprint prediction methods were rigorously compared to evaluate their relative spatial coverage. Data from all sources were post-processed in a consistent and reproducible manner including data handling, gap-filling, temporal aggregation, and energy balance closure correction. The resulting dataset included 243,048 daily and 5,284 monthly ET values from 194 stations, with all data falling between 1995 and 2021. We assessed average daily energy imbalance using 172 flux sites with a total of 193,021 days of data, finding that overall turbulent fluxes were understated by about 12% on average relative to available energy. Multiple linear regression analyses indicated that daily average latent energy flux may be typically understated slightly more than sensible heat flux. This dataset was developed to provide a consistent reference to support evaluation of RSET data being developed for a wide range of applications related to water accounting and water resources management at field to watershed scales.

54 ENVIRONMENTAL SCIENCES↗

Verification and Validation of a Modified Numerical Algorithm for Simulation of Transient Unconfined Groundwater Flow

This report extends verification and validation testing of the NUFT package of codes (Nitao 2000a,b) to the US1P module of code designed for simulation of single-phase mixed or “coupled” saturated and unsaturated (or “variably saturated”) groundwater flow. Importantly, the verification and validation testing of US1P in this report includes performance evaluation of a modified numerical algorithm that was not included in prior quality assurance (QA) of the NUFT package by Carle et al. (2014) for Underground Test Area (UGTA) project activities, which are directed at assessment of radionuclide contamination in groundwater sourced from underground nuclear test locations at the Nevada National Security Site (NNSS). An immediate purpose of this report is to provide QA for ongoing large-scale, three-dimensional (3-D) groundwater flow modeling of transient water levels associated with longterm water supply pumping and underground nuclear testing at the NNSS (Jackson and Fenelon, 2018; Jackson et al., 2021). For UGTA activities, the QA refers to the standards of ASTM (1996) for verification and validation testing of groundwater modeling codes.

54 ENVIRONMENTAL SCIENCES↗

Energy Requirements for Integration of Nuclear Reactors with Iron and Steel Plants

This report identifies energy needs of heavy energy users within the domestic iron and steel industry and suggests solutions for integrating nuclear energy. The iron and steel industry, composed of several types of plants which perform different processes with varied energy demands and vectors, is a heavy consumer of electric power and fossil fuels including coke and natural gas. Almost all major process temperatures exceed the temperatures of direct heat available from advanced reactors, and so electricity and hydrogen were considered instead. Reference units were adopted and estimated energy demands computed for the blast furnace (BF), direct reduced iron (DRI) unit, electric arc furnace (EAF), and reheat furnaces. By utilizing production capacity data from industry reports, the ranges of power demands were estimated, including for hydrogen production by high temperature steam electrolysis (HTSE). For the EAF and DRI unit, more detailed integration studies with thermodynamic modeling were also conducted and determined a possible solution with a specific reactor design and number of modules. Furthermore, because many unit processes are co-located, entire plants were considered by adding the energy demands of the unit processes to form four hypothetical reference plants. The range of power needs for the reference plants is compatible with multi-unit banks of microreactors at the low end, and would create a need for multiple larger-capacity SMRs at the high end (1 GWe plus 0.14 GWt). Although the overall power need at the high end is well-matched with one present-day large reactor offering (1.1 GWe), redundancy considerations may require a minimum of two reactors, potentially eliminating the single large reactor from consideration. Auxiliary or house loads would increase the reference plant estimates. Finally, the report provides total estimated energy needs under integration of all U.S. units of each process (BF, DRI, EAF, and reheat furnaces), representing a national potential for nuclear energy in the industry. U.S. iron and steel plants may be candidates for integration with nuclear reactors via electricity and hydrogen, and many sites have energy requirements that correspond well to the capacities of several advanced nuclear power designs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Novel Machine Learning Algorithm for Cloud Detection Using AERI Measurement Data

Infrared hyperspectral remote sensing has been widely used in the field of meteorology. Many scientists have carried out research on inversion methods of meteorological elements such as thermodynamic profile, boundary layer height, cloud base height, etc. In this study, a method based on machine learning for cloud detection using ground-based infrared hyperspectral radiation data is proposed. The features of outliers, the cloudy and cloud-free data of Atmospheric Emitted Radiance Interferometer (AERI) radiation are extracted. The “reference values” of cloudy and cloud-free are determined based on the observation data of Vaisala CL31 ceilometer within the time range of 8 min before the corresponding time of AERI. A support vector machine (SVM) algorithm is used for training. The dataset comes from the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site and North Slope Alaska (NSA) site from 2015 to 2017, and the ARM West Antarctic Radiation Experiment (AWARE) site in 2016 is also analyzed. The instruments used in this paper include AERI, ceilometer, etc. The experimental results reveal that the agreement of cloud detection results between the proposed algorithm and ceilometer is about 93% at each site. However, for high clouds or optically thin clouds, the agreement will decrease.

47 OTHER INSTRUMENTATION↗

Quantitative comparison of power production and power quality onshore and offshore: a case study from the eastern United States

Abstract. A major issue in quantifying potential power generation from prospective wind energy sites is the lack of observations from heights relevant to modern wind turbines, particularly for offshore where blade tip heights are projected to increase beyond 250 m. We present analyses of uniquely detailed data sets from lidar (light detection and ranging) deployments in New York State and on two buoys in the adjacent New York Bight to examine the relative power generation potential and power quality at these on- and offshore locations. Time series of 10 min wind power production are computed from these wind speeds using the power curve from the International Energy Agency 15 MW reference wind turbine. Given the relatively close proximity of these lidar deployments, they share a common synoptic-scale meteorology and seasonal variability with lowest wind speeds in July and August. Time series of power production from the on- and offshore location are highly spatially correlated with the Spearman rank correlation coefficient dropping below 0.4 for separation distances of approximately 350 km. Hence careful planning of on- and offshore wind farms (i.e., separation of major plants by > 350 km) can be used reduce the system-wide probability of low wind energy power production. Energy density at 150 m height at the offshore buoys is more than 40 % higher, and the Weibull scale parameter is 2 m s−1 higher than at all but one of the land sites. Analyses of power production time series indicate annual energy production is almost twice as high for the two offshore locations. Further, electrical power production quality is higher from the offshore sites that exhibit a lower amplitude of diurnal variability, plus a lower probability of wind speeds below the cut-in and of ramp events of any magnitude. Despite this and the higher resource, the estimated levelized cost of energy (LCoE) is higher from the offshore sites mainly due to the higher infrastructure costs. Nonetheless, the projected LCoE is highly competitive from all sites considered.

Foody, Rebecca↗

Studying drought-induced forest mortality using high spatiotemporal resolution evapotranspiration data from thermal satellite imaging

Drought can have pervasive and wide-spread impacts to forest health, as evidenced in several severe events occurring over the recent decades. Extensive forest die-off due to drought can impair the ecological functioning of forests, impacting habitat, water yield and quality from forested lands, and altering forest fire dynamics and intensity. Satellite remote sensing provides an effective means for detecting and monitoring spatial patterns of forest mortality over large areas, exploiting free and open long-term image archives available at a range in spatial and temporal resolutions. While remotely sensed surface reflectances and vegetation indices have been widely used to study optical response of forest canopies to drought events, retrievals of evapotranspiration (ET) derived from thermal satellite imagery – particularly at resolutions approaching crown scale - can provide insights into cumulative tree stresses that can incite disease and trigger mortality. In this study, we applied a multi-sensor satellite data fusion approach to estimate daily 30-m resolution ET and an associated Evaporative Stress Index (ESI) to study drought-induced mortality in a temperate forest at the Missouri Ozark AmeriFlux (MOFLUX) site, located in the central United States. The study covered the period from 2010 to 2014, including an exceptional drought year of 2012. Modeled ET agreed well with eddy flux measurements from the MOFLUX tower, with average monthly relative errors of 15%. Plot-scale ESI, describing temporal anomalies in the ratio of actual-to-reference ET, was used as an index of relative forest health to investigate relationships between forest mortality and drought severity. ESI showed good agreement with observed predawn leaf water potential, especially during the drought year. Furthermore, plot-scale ESI was also correlated with the subsequent year's tree mortality, suggesting the importance of considering the forest health condition prior to drought when studying drought-induced forest impacts. This study demonstrates the utility of multi-year ET remote sensing data at the stand or plot scale as an indicator of forest health and as a predictor of future mortality due to drought.

54 ENVIRONMENTAL SCIENCES↗

Integrating crop growth models with remote sensing for predicting biomass yield of sorghum

Abstract Plant phenotypes are often descriptive, rather than predictive of crop performance. As a result, extensive testing is required in plant breeding programmes to develop varieties aimed at performance in the target environments. Crop models can improve this testing regime by providing a predictive framework to (i) augment field phenotyping data and derive hard-to-measure phenotypes and (ii) estimate performance across geographical regions using historical weather data. The goal of this study was to parameterize the Agricultural Production Systems sIMulator (APSIM) crop growth models with remote-sensing and ground-reference data to predict variation in phenology and yield-related traits in 18 commercial grain and biomass sorghum hybrids. Genotype parameters for each hybrid were estimated using remote-sensing measurements combined with manual phenotyping in West Lafayette, IN, in 2018. The models were validated in hybrid performance trials in two additional seasons at that site and against yield trials conducted in Bushland, TX, between 2001 and 2018. These trials demonstrated that (i) maximum plant height, final dry biomass and radiation use efficiency (RUE) of photoperiod-sensitive and -insensitive forage sorghum hybrids tended to be higher than observed in grain sorghum, (ii) photoperiod-sensitive sorghum hybrids exhibited greater biomass production in longer growing environments and (iii) the parameterized and validated models perform well in above-ground biomass simulations across years and locations. Crop growth models that integrate remote-sensing data offer an efficient approach to parameterize larger plant breeding populations.

Yang, Kai-Wei↗

Utah FORGE: 2024 Discrete Fracture Network Model Data

The Utah FORGE 2024 Discrete Fracture Network (DFN) Model dataset provides a set of files representing discrete fracture network modeling for the FORGE site near Milford, Utah. The dataset includes four distinct DFN model file sets, each corresponding to different time frames and modeling approaches in 2024. These models characterize both natural and induced fractures in the geothermal reservoir, which consists of crystalline granitic and metamorphic rock approximately 8,000 feet below the ground surface. The dataset includes a reference DFN model from February 2024 that incorporates planar fractures and well trajectories, as well as upscaled permeability, porosity, compressibility, and storage values on specified grids. Additionally, there are models based on new microseismic (MEQ) data from May and July 2024, including fracture planes fitted to the latest MEQ catalog datasets, tensile fractures from hydraulic stimulation, and an alternative connected DFN for modeling purposes. Coordinate data is provided in both global and local frames, with detailed instructions on the transformations used to align with principal stress orientations. The dataset also includes notes and calculation files for estimating fracture sizes and differences between various fracture sets. There are subfolders for Global Coordinates and Local Coordinates. To move from the global to the local coordinate frame, fractures and wells were a) rotated 20 degrees counterclockwise looking down about the global point (335376.400482041, 4263189.99998761, 250.093546450195) to better align with the principal stresses; and b) translated by (-335408.68, -4263010.9, 1150). Upscaled permeability values using the _XYZ suffix show directions with respect to the global XYZ coordinate frame, while those using the _IJK suffix are aligned with local coordinate frame.

15 GEOTHERMAL ENERGY↗

Highly Efficient Regeneration Module for Carbon Capture Systems in NGCC Applications

The objective of this project is to design, fabricate, and test a highly efficient regeneration module capable of providing an ultra-lean absorption solution that is required for capturing CO 2 from dilute sources at 95% or better efficiency. By integrating this advanced regenerator module with SRI International’s Mixed Salt Process (MSP) absorption modules, SRI expects to demonstrate significant progress toward a reduction in cost of capture versus the DOE reference natural gas combined cycle (NGCC) plant with carbon capture. SRI designed, built, and tested an advanced stripper to enhance the performance of SRI’s MSP for CO 2 capture – a transformational ammonia-based solvent technology – for natural gas (NG) power sources. The testing of the advanced stripper for MSP was conducted at an SRI site using a simulated flue gas stream equivalent to about 10 kWe. The research work included modeling of the advanced stripper and integrating it with the MSP absorbers; studying the strategies for producing very highly alkaline lean solvent with minimized emissions; operating the stripper with advanced heat integration to improve process efficiencies; and collecting critically important data for a detailed techno-economic analysis (TEA). The project tasks were designed to address concerns relating to scale-up and integration of the technology to NG power plants—more specifically, to maximize the carbon capture efficiency achievable with MSP and identify pathways to achieve higher capture efficiencies and ultimately zero net carbon emissions. SRI teamed up with a process modeling company (OLI Systems), a process and chemical engineering company (Trimeric Corporation), and a cost-sharing commercial partner (Baker-Hughes – a leading multinational company that designs, manufactures, and services transformative energy technologies) to execute the project. The research findings will accelerate the MSP development and pave the way for the technology to reach the DOE’s goal, and ultimately commercialization of the MSP technology for low-cost CO 2 capture from NGCC flue gas and other dilute CO 2 sources.

03 NATURAL GAS↗

Review of the U.S. Policies, Codes, and Standards of Zero-Carbon Buildings

The global issue of climate change has accelerated the international commitment to net-zero carbon emission development. Decarbonizing the building sector has been put on several governments’ sustainable development agendas. To provide a reference for decarbonizing the building sector, this paper summarizes the U.S. experience in zero-carbon buildings (ZCBs) from the aspects of policies, codes, and standards at the federal and local levels and those of professional societies. Based on the definition and boundaries of ZCBs, this paper introduces policies on building energy efficiency, electrification, on-site renewable energy deployment, and “buy clean”, illustrating highlights in building phases, energy systems, materials production, and fiscal incentives. The synergic efforts and coordination between federal and local levels and with professional societies are also introduced. Successful experiences in policy and standard implementation are summarized, including the systemic work of multilevel governance, clearly defined goals and stringent policies, constant upgrades of codes and standards, transparency in reporting and information sharing, and increased financial and investment opportunities. This paper provides concrete recommendations for developing zero-carbon building policies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Modeling and Analysis of the Transport and Disposal of Beryllium Moderator Blocks and Greater than Class C (GTCC) Waste

Radioactive waste in the United states is categorized based on its source, radioactivity, and security risk. The categorization method employed by the Nuclear Regulatory Committee (NRC) for low-level radioactive waste is not currently applied to any waste generated by the Department of Energy (DOE) or disposed of in DOE facilities. As a result, there is a large volume of DOE-generated waste with characteristics similar to the NRC’s “Greater than Class C” (GTCC) waste category which presently do not have a path for long-term disposal. Much of this waste cannot undergo the standard commercial disposition process due to it being categorized as Transuranic (TRU) waste under DOE guidelines, due to elevated concentrations of key fission products. Possible solutions to this dilemma are explored in the Environmental Impact Statement for the “Disposal of Greater-Than-Class-C Low Level Radioactive Wave” (EIS-0375). This paper analyzes several EIS possible paths for disposal for this “orphaned” waste. One example that highlights this categorization issue is the spent beryllium cladding that has been extracted from the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) throughout its operational lifetime. These beryllium blocks surround the reactor’s main chambers and components and serve as neutron moderators. This paper will use this particular waste form to analyze the economic and technological viability of transporting and storing this material under the storage and transportation criteria of the Waste isolation Pilot Plant (WIPP), which was deemed the most feasible disposition path according to the EIS. The example of this waste form used in this paper that highlights this categorization issue is the spent beryllium cladding extracted from Idaho National Laboratory’s (INL) Advanced Test Reactor (ATR). These beryllium blocks surround the reactor’s components and serve as neutron moderators, and thus have accumulated high concentration of high-activity transuranic isotopes. This paper analyzed the viability of transporting and storing this material under the storage and transportation criteria of the five primary disposition paths covered in EIS-0375. An array of calculations was carried out to assess the viability of the various disposition paths for the beryllium shipments as well as other waste shipments that fall within the GTCC category. Modeling with MCNP 6.2 was conducted to determine whether the beryllium blocks could be safely stored and transported within a 72-B cask; the standard shipping container for remote-handled, transuranic waste, while also meeting regulatory limits at various disposition paths. A cost analysis of the transportation and long-term disposal paths mentioned in the EIS was also carried out using available data and information from similar waste shipments. Lastly, a geochemical analysis of the various geological repository discussed in the EIS was also carried out using the Geochemists Workbench Release 14. Long-term disposal of the beryllium blocks at the Waste Isolation Pilot Plant (WIPP) proved to be the most cost-effective long-term disposition option of the ones considered in the EIS. A dose rate calculation at both contact and remote-handling distances indicate that the analyzed beryllium shipments should not exceed the exposure limits at any of the considered locations. Greater-than-class-C waste has been left in a regulatory state of limbo for years, resulting in backlogs of inventory across several research sites in the United States. Due to its high activity and presence of transuranic isotopes, it is imperative to ensure that it remains inaccessible and sequestered both in its short-term interim as well as a long-term geologic time scale. The information and assessments done in the paper could potentially serve as a reference for any future shipments of this waste form at the WIPP facility as well as other disposition paths that may be considered in the future.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Soil moisture and temperature from 2019 to 2024 along northeast- and southwest-facing hillslopes at the Lower Montane site in the East River Watershed, Colorado

Soil moisture, temperature, and electrical conductivity have been monitored at multiple depths (between 10 and 50 cm) at 4 locations along a northeast-facing slope and 3 locations on the opposite southwest-facing slope at the Lower Montane site in the East River Watershed, Colorado, from Oct 2019 to Oct 2024. The purpose of this data is to inform hydro-biogeochemical analyses for the Watershed Function Scientific Focus Area (SFA). Two locations on the northeast-facing slope were reinstalled in 2020 due to damage from wildlife, and thus data for these sites are provided in two distinct files. Overall, the data are reported in 9 CSV files containing the measurements, and the locations are provided in the Sensor_Location.csv file. There is a total of 10 *.csv data files and 3 *.csv metadata files. Older datasets associated with the northeast-facing slope are provided in another archive (see reference). These data products are part of the Watershed Function Scientific Focus Area collection effort to further scientific understanding of biogeochemical dynamics from genome to watershed scales. Feel free to contact the author with any questions or collaboration interests.

54 ENVIRONMENTAL SCIENCES↗

Long-term variability of root production in bioenergy crops from ingrowth core measurements

Long-term determination of root biomass production upon land-use conversion to biofuel crops is rare. To assess land-use legacy influences on belowground biomass accumulation, we converted 22-year-old Conservation Reserve Program (CRP) grasslands and 50+-year-old agricultural (AGR) lands to corn (C), switchgrass (Sw) and restored prairie (Pr) biofuel crops. We maintained one CRP grassland as a reference (Ref). We hypothesized that land-use history and crop type have significant effects on root density, with perennial crops on CRP grasslands having a higher root biomass productivity, while corn grown on former agricultural lands produce the lowest root biomass. Methods The ingrowth core method was used to determine in situ ingrowth root biomass, alongside measurements of aboveground net primary productivity (ANPP). Ancillary measurements, including air temperature, growing season length and precipitation were used to examine their influences on root biomass production. Important Findings Root biomass productivity was the highest in unconverted CRP grassland (1716 g m-2 yr-1) and lowest in corn fields (526 g m-2 yr-1). All perennial sites converted from CRP and AGR lands had lower root biomass and ANPP in the first year of planting but peaked in 2011 for switchgrass and a year later for restored prairies. Ecosystem stability was higher in restored prairies (AGR-Pr: 4.3 ± 0.11; CRP-Pr: 4.1 ± 0.10), with all monocultures exhibiting a lower stability. Root biomass production was positively related to ANPP (R2 = 0.40). Overall, attention should be given to root biomass accumulation in large-scale biofuel production as it is a major source of carbon sequestration.

Environmental Sciences & Ecology↗

Mechanisms of Zn removal from water by amorphous geopolymer: Molecular-level insights from X-ray absorption spectroscopy, isotope fractionation, and surface complexation modeling

Porous geopolymers have attracted widespread attention as promising heavy metal adsorbents that can be synthesized from aluminosilicate solid wastes. However, the precise microstructural evidence for adsorbed heavy metals on geopolymers remains unclear due to the insensitivity of conventional characterization techniques on minerals with amorphous structure and surface disorder. Batch adsorption and column experiments coupled with X-ray absorption spectroscopy (XAS), Zn stable isotope, and surface complexation model (SCM) were employed to reveal the Zn removal mechanisms with coal fly ash porous geopolymer (CFAPG) at a molecular scale. The macroscopic kinetic and isothermal adsorption of Zn on CFAPG were well described by the pseudo-second-order model and Bi_Langmuir equation, respectively, indicating the presence of abundant heterogeneous active sites on the CFAPG surface. Further, two types of active sites on the CFAPG surface were identified by XAS coupled with Zn isotopes in batch experiments at pH <= 6.0: one is pH-dependent and associated with tetrahedral zinc coordi-nation, and the other is pH-insensitive and associated with octahedral zinc coordination; these sites were confirmed by the bidentate SCM as the variable charge site (surface complexation, >S-OH) and the permanent negative charge site (cation exchange, >X - ), respectively. Furthermore, the important contribution of surface co -precipitation besides surface complexation and cation exchange to the Zn adsorption on CFAPG was identified by XAS coupled with SCM in a flow-through column experiment at pH >6.0. These investigations provide a systemic understanding of the Zn adsorption mechanisms on CFAPG and an SCM reference for the application and prediction of geopolymers in heavy metal-contaminated water remediations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Kimberlina 1.2 CCUS Geophysical Models and Synthetic Data Sets

This synthetic multi-scale and multi-physics data set was produced in collaboration with teams at the Lawrence Berkeley National Laboratory, National Energy Technology Laboratory, Los Alamos National Laboratory, and Colorado School of Mines through the Science-informed Machine Learning for Accelerating Real-Time Decisions in Subsurface Applications (SMART) Initiative. Data are associated with the following publication: Alumbaugh, D., Gasperikova, E., Crandall, D., Commer, M., Feng, S., Harbert, W., Li, Y., Lin, Y., and Samarasinghe, S., “The Kimberlina Synthetic Geophysical Model and Data Set for CO2 Monitoring Investigations”, The Geoscience Data Journal, 2023, DOI: 10.1002/gdj3.191. The dataset uses the Kimberlina 1.2 CO2 reservoir flow model simulations based on a hypothetical CO2 storage site in California (Birkholzer et al., 2011; Wainwright et al., 2013). Geophysical properties models (P- and S-wave seismic velocities, saturated density, and electrical resistivity) were produced with an approach similar to that of Yang et al. (2019) and Gasperikova et al. (2022) for 100 Kimberlina 1.2 reservoir models. Links to individual resources are provided below: [CO2 Saturation Models](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-co2-saturation-models); Resistivity Models – [part 1](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-resistivity-models-part-1), [part 2](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-resistivity-models-part-2), and [part 3](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-resistivity-models-part-3); [Vp Velocity Models](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-vp-velocity-models); [Vs Velocity Models](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-vs-velocity-models); [Density Models](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-density-models). The 3D distributions of geophysical properties for the 33 time stamps of the SIM001 model were used to generate synthetic seismic, gravity, and electromagnetic (EM) responses for 33 times between zero and 200 years. Synthetic surface seismic data were generated using 2D and 3D finite-difference codes that simulate the acoustic wave equation (Moczo et al., 2007). 2D data were simulated for six point-pressure sources along a 2D line with 10 m receiver spacing and a time spacing of 0.0005 s. 3D simulations were completed for 25 surface pressure sources using a source separation of 1 km in both the x and y directions and a time spacing of 0.001 s. Links to individual resources are provided below: [2D velocity models](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-2d-velocity-models) and [2D surface seismic data](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-2d-surface-seismic-data). [3D velocity models](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-velocity-models), and 3D seismic data [year0](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year0), [year1](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year1), [year2](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year2), [year5](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year5), [year10](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year10), [year15](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year15), [year20](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year20), [year25](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year25), [year30](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year30), [year35](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year35), [year40](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year40), [year45](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year45), [year49](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year49), [year50](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year50), [year51](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year51), [year52](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year52), [year55](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year55), [year60](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year60), [year65](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year65), [year70](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year70), [year75](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year75), [year80](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year80), [year85](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year85), [year90](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year90), [year95](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year95), [year100](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year100), [year110](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year110), [year120](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year120), [year130](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year130), [year140](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year140), [year150](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year150), [year175](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year175), [year200](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year200). The Python scripts to read these models and data are provided [here](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-python-scripts). EM simulations used a borehole-to-surface survey configuration, with the source located near the reservoir level and receivers on the surface using the code developed by Commer and Newman (2008). Pseudo-2D data for the source at [2500 m](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-pseudo-2d-csem-data-tz2500m) and [3025 m](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-pseudo-2d-csem-data-tz3025m), used a 2D inline receiver configuration to simulate a response over 3D resistivity models. The [3D data](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-csem-data) contain electric fields generated by borehole sources at monitoring well locations and measured over a surface receiver grid. Vector gravity data, both on the surface and in boreholes, were simulated using a modeling code developed by Rim and Li (2015). The simulation scenarios were parallel to those used for the EM: [pseudo-2D data](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-gravity-data) were calculated along the same lines and within the same boreholes, and [3D data](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-gravity-data) were simulated over 3D models on the surface and in three monitoring wells. A series of [synthetic well logs](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-well-logs) of CO2 saturation, acoustic velocity, density, and induction resistivity in the injection well and three monitoring wells are also provided at 0, 1, 2, 5, 10, 15, and 20 years after the initiation of injection. These were constructed by combining the low-frequency trend of the geophysical models with the high-frequency variations of actual well logs collected in the Kimberlina 1 well that was drilled at the proposed site. Measurements of permeability and pore connectivity were made on cores of Vedder Sandstone, which forms the primary reservoir unit: [CT micro scans](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-ct-micro-scans-of-vedder-formation) and [Industrial CT Images](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-industrial-ct-images-vedder-formation). These measurements provide the range of scales in the otherwise synthetic data set to be as close to a real-world situation as possible. References: Birkholzer, J.T., Zhou, Q., Cortis, A. and Finsterle, S., 2011. A sensitivity study on regional pressure buildup from large-scale CO2 storage projects. Energy Procedia, 4, 4371-4378. Commer, M., and Newman, G.A., 2008. New advances in three-dimensional controlled-source electromagnetic inversion, Geophysical Journal International, 172, 513-535. Gasperikova, E., Appriou, D., Bonneville, A., Feng, Z., Huang, L., Gao, K., Yang, X., Daley, T., 2022, Sensitivity of geophysical techniques for monitoring secondary CO2 storage plumes, Int. J. Greenh. Gas Control, Volume 114, 103585, ISSN 1750-5836, https://doi.org/10.1016/j.ijggc.2022.103585. Moczo, P., J.O. Robertsson and L. Eisner, 2007, The finite-difference time-domain method for modeling of seismic wave propagation: Advances in geophysics, 48, 421-516. Rim, H., and Y. Li, 2015, Advantages of borehole vector gravity in density imaging, Geophysics, 80, G1-G13. Wainwright, H. M.; Finsterle, S.; Zhou, Q.; Birkholzer, J. T., 2013. Modeling the Performance of Large-Scale CO2 Storage Systems: A Comparison of Different Sensitivity Analysis Methods. International Journal of Greenhouse Gas Control, 17, 189205. https://doi.org/10.1016/j.ijggc.2013.05.007, DOI: 10.18141/1603331. Yang, X., Buscheck, T.A., Mansoor, K., Wang, Z., Gao, K., Huang, L., Appriou, D., and Carroll, S.A., 2019. Assessment of geophysical monitoring methods for detection of brine and CO2 leakage in drinking water aquifers, International Journal of Greenhouse Gas Control, 90, 102803, https://doi.org/10.1016/j.ijggc.2019.102803.

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