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Dosimetric and biological impact of activity extravasation of radiopharmaceuticals in PET imaging

The increasing use of nuclear medicine and PET imaging has intensified scrutiny of radiotracer extravasation. To our knowledge, this topic is understudied but holds great potential for enhancing our understanding of extravasation in clinical PET imaging. This work aims to (1) quantify the absorbed doses from radiotracer extravasation in PET imaging, both locally at the site of extravasation and with the extravasation location as a source of exposure to bodily organs and (2) assess the biological ramifications within the injection site at the cellular level. A radiation dosimetry simulation was performed using a whole-body 4D Extended Cardiac-Torso (XCAT) phantom embedded in the GATE Monte Carlo platform. A 10-mCi dose of 18 F-FDG was chosen to simulate a typical clinical PET scan scenario, with 10% of the activity extravasated in the antecubital fossa of the right arm of the phantom. The extravasation volume was modeled as a 5.5 mL rectangle in the hypodermal layer of skin. Absorbed dose contributions were calculated for the first two half-lives, assuming biological clearance thereafter. Dose calculations were performed as absorbed doses at the organ and skin levels. Energy deposition was simulated both at the local extravasation site and in multiple organs of interest and converted to absorbed doses based on their respective masses. Each simulation was repeated ten times to estimate Monte Carlo uncertainties. Biological impacts on cells within the extravasated volume were evaluated by randomizing cells and exposing them to a uniform radiation source of 18 F and 68 Ga. Particle types, their energies, and direction cosines were recorded in phase space files using a separate Geant4 simulation to characterize their entry into the nucleus of the cellular volume. Subsequently, the phase space files were imported into the TOPAS-nBio simulation to assess the extent of DNA damage, including double-strand breaks (DSBs) and single-strand breaks (SSBs). Organ-level dosimetric estimations are presented for 18 F and 68 Ga radionuclides in various organs of interest. With 10% extravasation, the hypodermal layer of the skin received the highest absorbed dose of 1.32 ± 0.01 Gy for 18 F and 0.99 ± 0.01 Gy for 68 Ga. The epidermal and dermal layers received absorbed doses of 0.07 ± 0.01 Gy and 0.13 ± 0.01 Gy for 18 F, and 0.14 ± 0.01 Gy and 0.29 ± 0.01 Gy for 68 Ga, respectively. In the extravasated volume, 18 F caused an average absorbed dose per nucleus of 0.17 ± 0.01 Gy, estimated to result in 10.58 ± 0.50 DSBs and 268.11 ± 12.43 SSBs per nucleus. For 68 Ga, the absorbed dose per nucleus was 0.11 ± 0.01 Gy, leading to an estimated 6.49 ± 0.34 DSBs and 161.24 ± 8.12 SSBs per nucleus. Absorbed doses in other organs were on the order of micro-gray (µGy). The likelihood of epidermal erythema resulting from extravasation during PET imaging is low, as the simulated absorbed doses to the epidermis remain below the thresholds that trigger such effects. Moreover, the organ-level absorbed doses were found to be clinically insignificant across various simulated organs. The minimal DNA damage at the extravasation site suggests that long-term harm, such as radiation-induced carcinogenesis, is highly unlikely.

DNA strand breaks↗

SRS Composite Analysis Monitoring Plan (FY2019 Model Validation)

Using a projected end-state date of 2065 (SRNS 2015b), the Savannah River Site (SRS) Composite Analysis (CA) modeling for each facility and waste site began on the inventory year assigned to it so that source depletion and radionuclide transport out of the system could be appropriately captured. Some SRS waste sites that have already achieved their end states (i.e. end-state inventories and end-state configuration) are currently contributing to the potential off-site public dose through source release, groundwater transport, discharge to on-site surface streams, and stream transport to the CA point of assessments (POAs). The inventory year assigned to these waste sites is 2002 or before. This means that SRS CA results from 2002 and beyond are a reasonable representation for these waste sites that have already achieved their end states and are currently contributing to the potential off-site public dose. The SRS Annual Environmental Report (AER) monitoring can differentiate and separate liquid pathway data allowing the data representing only waste sites at their end state to be produced. Because the SRS CA has projected reasonable end-state impacts from 2002 and beyond, and the AER monitoring can differentiate and separate operating and end-state contributions to annual liquid pathway release, an opportunity exists to use the AER monitoring data to validate the SRS CA model. The CA model validation program uses a graded and systematic approach for taking corrective action, starting with an SRS established administrative dose limit of 15 mrem/yr, below which no action is required. Based on the location of the 2010 SRS CA POAs, the only potential exposure pathway for the public is through surface water. The completion of the FY2019 CA model validation indicates that the SRS CA projected dose, while generally conservative, provides a reasonable representation of the maximum annual doses. These doses are well below the administrative limit; therefore, no additional action is required.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Model Validation for the FY2021 SRS Composite Analysis Monitoring Plan

Using a projected end-state date of 2065 (SRNS 2015b), the Savannah River Site (SRS) Composite Analysis (CA) modeling for each facility and waste site began on the inventory year assigned to it so that source depletion and radionuclide transport out of the system could be appropriately captured. Some SRS waste sites that have already achieved their end states (i.e., end-state inventories and end-state configuration) are currently contributing to the potential off-site public dose through source release, groundwater transport, discharge to on-site surface streams, and stream transport to the CA point of assessments (POAs). The inventory year assigned to these waste sites is 2002 or before. This means that SRS CA results from 2002 and beyond are a reasonable representation for these waste sites that have already achieved their end states and are currently contributing to the potential off-site public dose. The SRS Annual Environmental Report (AER) monitoring can differentiate and separate liquid pathway data allowing the data representing only waste sites at their end state to be produced. Because the SRS CA has projected reasonable end-state impacts from 2002 and beyond, and the AER monitoring can differentiate and separate operating and end-state contributions to annual liquid pathway release, an opportunity exists to use the AER monitoring data to validate the SRS CA model.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Clonality, local population structure, and gametophyte sex ratios in cryptic species of the Sphagnum magellanicum complex

Sphagnum (peatmoss) comprises a moss (Bryophyta) clade with approximately 300-500 species. The genus has unparalleled ecological importance because Sphagnum-dominated peatlands store almost a third of the terrestrial carbon pool and peatmosses engineer the formation and microtopography of peatlands. Genomic resources for Sphagnum are being actively expanded, but many aspects of their biology are still poorly known. Among these are the degree to which Sphagnum species reproduce asexually, and the relative frequencies of male and female gametophytes in these haploid-dominant plants. Here, we assess clonality and gametophyte sex ratios and test hypotheses about the local-scale distribution of clones and sexes in four North American species of the S. magellanicum complex. These four species are difficult to distinguish morphologically and are very closely related. We also assess microbial communities associated with Sphagnum host plant clones and sexes at two sites. 405 samples of the four species, representing 57 populations, were subjected to RADseq. Analyses of population structure and clonality based on the molecular data utilized both phylogenetic and phenetic approaches. Multi-locus genotypes (genets) were identified using the RADseq data. Sexes of sampled ramets were determined using a molecular approach that utilized coverage of loci on the sex chromosomes after the method was validated using a sample of plants that expressed sex phenotypically. Sex ratios were estimated for each species, and populations within species. Differences in fitness between genets was estimated as the numbers of ramets each genet comprised. Degree of clonality (numbers of genets/numbers of ramets [samples]) within species, among sites, and between gametophyte sexes were estimated. Sex ratios were estimated for each species, and populations within species. Sphagnum-associated microbial communities were assessed at two sites in relation to Sphagnum clonality and sex. All four species appear to engage in a mixture of sexual and asexual (clonal) reproduction. A single ramet represents most genets but 2-8 ramets were detected for some genets. Only one genet is represented by ramets in multiple populations; all other genets are restricted to a single population. Within populations ramets of individual genets are spatially clustered, suggesting limited dispersal even within peatlands. Sex ratios are male-biased in S. diabolicum but female-biased in the other three species, although significantly so only in S. divinum. Neither species nor males/females differ in levels of clonal propagation. At St. Regis Lake (NY) and Franklin Bog (VT), microbial community composition is strongly differentiated between the sites, but differences between species, genets, and sexes were not detected. Within S. divinum, however, female gametophytes harbored 2-3 times the number oi of microbial taxa as males. These four Sphagnum species all exhibit a similar reproductive patterns that result from a mixture of sexual and asexual reproduction. The spatial patterns of clonally replicated ramets of genets suggest that these species fall between the so-called phalanx patterns where genets abut one another but do not extensively mix, because of limited ramet fragmentation, and the guerrilla patterns where extensive genet fragmentation and dispersal results in greater mixing of different genets. Although sex ratios in bryophytes are most often female-biased, both male and female biases occur in this complex of closely related species. The association of far greater microbial diversity for female gametophytes in S. divinum, which has a female-biased sex ratio, suggests additional research to determine if levels of microbial diversity are consistently correlated with differing patterns of sex ratio biases.

59 BASIC BIOLOGICAL SCIENCES↗

Detection and damage assessment of citrus tree losses with aerial color infrared photography /ACIR/

Detection and disease damage assessment of citrus tree losses in a Florida citrus grove were made by establishing a registration (grove site location) coordinate system, developing a damage assessment system, and testing sequential aerial color infrared (ACIR) photography at the scale of 1 in. = 333 ft (2.5 cm = 100 m) during the winter, spring, and summer seasons of 1978 and spring of 1979. Spring photography was the easiest to photo interpret, showed the greatest differences between healthy and diseased trees, and had the least shadow and background interference for photo interpretation. Trees showing slight disease damage were detected in ACIR before they were found in ground surveys.

Blazquez, C. H.↗

NEEMO 20: Science Training, Operations, and Tool Development

The 20th mission of the National Aeronautics and Space Administration (NASA) Extreme Environment Mission Operations (NEEMO) was a highly integrated evaluation of operational protocols and tools designed to enable future exploration beyond low-Earth orbit. NEEMO 20 was conducted from the Aquarius habitat off the coast of Key Largo, FL in July 2015. The habitat and its surroundings provide a convincing analog for space exploration. A crew of six (comprised of astronauts, engineers, and habitat technicians) lived and worked in and around the unique underwater laboratory over a mission duration of 14-days. Incorporated into NEEMO 20 was a diverse Science Team (ST) comprised of geoscientists from the Astromaterials Research and Exploration Science (ARES/XI) Division from the Johnson Space Center (JSC), as well as marine scientists from the Department of Biological Sciences at Florida International University (FIU). This team trained the crew on the science to be conducted, defined sampling techniques and operational procedures, and planned and coordinated the science focused Extra Vehicular Activities (EVAs). The primary science objectives of NEEMO 20 was to study planetary sampling techniques and tools in partial gravity environments under realistic mission communication time delays and operational pressures. To facilitate these objectives two types of science sites were employed 1) geoscience sites with available rocks and regolith for testing sampling procedures and tools and, 2) marine science sites dedicated to specific research focused on assessing the photosynthetic capability of corals and their genetic connectivity between deep and shallow reefs. These marine sites and associated research objectives included deployment of handheld instrumentation, context descriptions, imaging, and sampling; thus acted as a suitable proxy for planetary surface exploration activities. This abstract briefly summarizes the scientific training, scientific operations, and tool development conducted during NEEMO 20 with an emphasis on the primary lessons learned.

Graff, T.↗

Wilson Corners Solid Waste Management Unit (SWMU) 001: 2021 Annual Long-Term Monitoring Report, Kennedy Space Center, Florida

This report presents a summary of the long-term monitoring (LTM) activities that occurred in 2021 at Wilson Corners, Solid Waste Management Unit (SWMU) 001, at Kennedy Space Center (KSC), Florida. The site is monitored under KSC’s Resource Conservation and Recovery Act (RCRA) Corrective Action Program. Adaptive site management is being utilized through ongoing assessment, design, and interim measures (IM). Annual LTM of the groundwater is also being conducted at the site. This approach also meets the requirements of Chapter 62-780, Florida Administrative Code (F.A.C.). The goal of LTM at this site is threefold: to determine groundwater flow characteristics, monitor the downgradient concentration trends, and monitor select locations internal to the groundwater plume. Every 5 years, upgradient and side-gradient monitoring wells are sampled to verify delineation. The last time this was performed was in 2015. The sampling of these wells in 2020 was replaced with the direct push technology (DPT) investigations completed in October 2020 and April 2021. This DPT groundwater data was presented in an Advance Data Package (ADP) in September 2021 and discussed in the Implementation Work Plan (IWP) dated November 2021 for installation of an air sparge (AS) system. Based on results from groundwater sampling activities performed during the previous reporting period, including the 2020 and 2021 DPT groundwater sampling, it was determined that the LTM sampling plan was no longer meeting the goal of LTM because delineation was not verified. The 2021 LTM sampling plan was modified to include the sampling of monitoring wells located around the perimeter of the low concentration plume (LCP); the area with concentrations of contaminants of concern [COCs] greater than Groundwater Cleanup Target Levels [GCTLs]), and sampling of 10 monitoring wells proposed for installation (April 2021 KSC Remediation Team (KSCRT) Meeting, Decision 2104-D32). The modified LTM plan received team consensus at the September 2021 KSCRT Meeting (Decision Number 2109-D03), and sampling of the existing monitoring wells was completed in December 2021. The proposed monitoring wells are planned for installation in late 2022, concurrent with ongoing IM construction activities. December 2021 LTM data was presented at the May 2022 KSCRT Meeting, and activities are summarized in this report. The activities presented in this report include the December 2021 groundwater gauging of 42 monitoring wells and sampling of 44 monitoring wells. During the December 2021 event, the low flow sampling method was used, and samples were analyzed for a select list of volatile organic compounds (VOCs), including 1,1,2-trichloro-1,2,2-trifluoroethane (Freon 113). The following conclusions can be made based on the 2021 LTM results: - In December 2021, groundwater flow for the site was generally to the west at all intervals. This is generally consistent with historical observations at the site, with the exception of a southwest and southeast flow component observed at 34 to 48 feet below land surface (bls). - The vertical extent of VOCs was historically delineated by monitoring wells screened greater than 48 feet bls. The results from the two vertical extent monitoring wells, WILC-MW0078 (screened 65 to 70 feet bls) and WILC-MW0130 (screened 56 to 66 feet bls) that were sampled during the 2021 LTM indicate that groundwater vinyl chloride (VC) concentrations in both wells were greater than the GCTL. The Remediation Team has previously agreed to delay deeper DPT investigations in this area to prevent the creation of additional pathways for vertical migration. - The LCP continues to extend both horizontally, predominantly to the west, and vertically beyond the current monitoring well network, with some retraction observed to the southeast. Evaluation of this data combined with data from the 2020 and 2021 DPT sampling event indicate that the LCP encompasses an estimated 20.7 acres based on an expanded sampling area, as compared to the 2020 LCP footprint of 17.0 acres. - Freon 113 was not detected above GCTLs during the 2021 LTM event. Based on groundwater sampling activities performed in 2021, including April 2021 DPT groundwater sampling, the following recommendations are provided: - Perform the next LTM sampling event, targeted to occur in 2023, concurrently with the IM baseline sampling prior to AS system installation; - Include sampling from nine monitoring wells that are planned to be installed in late 2022, concurrent with upcoming IM construction activities. Installation of one deep vertical well, screened 70 to 80 feet bls, will be delayed to prevent the creation of an additional pathway for vertical migration; - Continue to sample under the modified annual LTM plan as presented in Table 4-1 concurrently with IM baseline sampling; and - Once the AS system install and start-up is complete, select monitoring wells from the LTM program will transition into the performance monitoring plan, and LTM will be temporarily discontinued. Performance monitoring will be performed quarterly, and the monitoring well network will be evaluated following the first performance monitoring sampling event.

long-term monitoring (LTM)↗

Southwest Regional Partnership on Carbon Sequestration: Phase III (Final Scientific/Technical Report)

The Southwest Regional Partnership on Carbon Sequestration (SWP) is one of 7 regional partnerships formed in 2003 under the U.S. Department of Energy’s (DOE) Regional Carbon Sequestration Partnerships (RCSPs) initiative. The overall purpose of the initiative was to help determine and implement the technology, infrastructure, and regulations most appropriate to promote carbon storage in different regions of the country. Covering Arizona, Colorado, New Mexico, Oklahoma, Utah, and parts of Texas, Wyoming, and Kansas, the SWP evaluated regional carbon storage and utilization potential and focused on technologies and sites that could complement the region’s strong position in energy production. The project progressed through three phases: • Phase I (2003–2005): Characterized regional geologic formations and CO 2 sources, assessed sequestration potential, and identified pilot test sites. • Phase II (2005–2013): Conducted small-scale field tests to validate sequestration methods, including geologic and terrestrial projects. • Phase III (2008–2022): Demonstrated large-scale CO 2 injection at a commercial oil field to test monitoring, verification, and long-term storage strategies. This report covers Phase III. The final project site, the Farnsworth Unit (FWU) in Texas, provided real-world testing of reservoir characterization, monitoring, and risk evaluation tools and processes that could be used in any commercial scale carbon capture, utilization, and storage (CCUS) project. Extensive data collection and analysis helped refine best practices for reservoir characterization, injection monitoring, and storage verification. The SWP contributed to national databases, DOE best practice manuals, and regional geological assessments to support future sequestration efforts. Key lessons learned include the importance of robust data management, strategic site selection, regulatory navigation, and effective industry collaboration. The project’s findings will inform ongoing and future carbon storage initiatives. Task 1 (Regional Characterization) • The SWP continued to participate in national outreach efforts and NATCARB. • The SWP evaluated multiple potential sites before selecting the FWU as the primary field test location. Task 2 (Public Outreach and Education) • The SWP contributed to national databases, DOE best practice manuals, and regional geological assessments to support future sequestration efforts. Task 3 (Permitting and Regulatory Compliance) • The SWP ensured compliance with federal and state regulations, including National Environmental Policy Act (NEPA) requirements. • The SWP obtained all necessary permits for drilling, injection, and monitoring activities. Task 4 (Site Characterization and Planning) • The SWP developed work plans for four key activities: characterization, simulation, monitoring and verification, and risk evaluation. • The SWP collected and synthesized legacy data from multiple sources to build initial static geological models and dynamic reservoir models demonstrating project feasibility. • The SWP conducted an initial risk evaluation and developed mitigation plans. Task 5 (Field Operations and Data Collection) • The SWP drilled, logged, and cored three characterization wells to gather critical subsurface data. • The SWP conducted multiple geophysical surveys, including 3D seismic, crosswell seismic, and vertical seismic profiling, to improve reservoir characterization. Task 6 (Monitoring and Verification) • The SWP performed extensive geological characterization using data from characterization wells and seismic surveys. • The SWP established a surface monitoring network to track CO 2 flux in soil gas, groundwater chemistry, and near-surface atmospheric CO 2 levels. • The SWP built and refined reservoir models to study the effects of relative permeability on simulation behavior and improve calibration with experimental data. Task 7 (Risk Assessment and Model Refinement) • The SWP conducted multiple studies to evaluate reservoir integrity, predict CO 2 plume behavior and improve predictive modeling capabilities. • The SWP refined geological models and used them to enhance the accuracy of simulation models. • The SWP continued quantitative risk assessment of top-ranked risks and strengthened the link between qualitative and quantitative risk methodologies.

02 PETROLEUM↗

Long Term Assessment of Radiocesium in Deer, Fish, Soil, and Vegetation at the Savannah River Site

Throughout the Savannah River Site's (SRS) operational history, many radionuclides have been released into the environment. However, due to fallout from weapons testing, the amount released from SRS, its persistence in the environment, and the seclusion of the Site, radiocesium (Cs-137) is one of the most critical radionuclides in the SRS environment. The Effective half-life (Te) is the time it takes for a radionuclide in the environment to decrease by 50% of its initial amount. There are three means of radionuclide removal: Physical: Radioactive decay, sedimentation, and washout; Chemical: Changes in pH, oxidation state or adsorption; Biological: Changes in the food web or translocation. Effective half-life (T{sub e}) = log{sub e}2/λ{sub e} Where λ{sub e} is estimated from the slopes of loge-transformed Cs-137 activity concentrations regressed on year. The objective of this work was to calculate the effective half-life of Cs-137 in various biota at SRS and to perform an assessment of the changes in the effective half life over time. Compared to 2013 data, there is a slight increase in the effective half-lives for fish at most sampling locations. This effective half-life increase is an indication that the rate of Cs-137 loss is starting to plateau. The effective half-life of Cs-137 in SRS fish ranges from 4-11 years. The effective half-life of Cs-137 in soil at the Creek plantation is about 15 years. The effective half-life of Cs-137 in grassy vegetation at the Creek Plantation is about 14 years. The effective half-life of deer hunted on the SRS is about 15.5 years. After termination of all reactor activity by 1980, the Cs-137 activity began to drop drastically.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Simulation-based characterization of the variability of earthquake risk to buildings in the near-field

Recent advancements in high performance computing platforms and computational workflow for regional-scale simulations are enabling unprecedented modeling of fault-to-structure earthquake processes. Regional simulations resolving ground motions at frequencies relevant to engineered systems are becoming computationally viable and provide a new capability to improve understanding of the geographical distribution and intensity of risk to buildings and critical infrastructure. As computational capabilities advance, it is essential to move beyond illustrative single rupture realizations for scenario earthquake events towards the development of a full suite of rupture realizations that appropriately characterize the range of risk to building systems. The work described in this article investigates the application of a suite of fault rupture realizations with the objective of assessing near-fault, site-specific seismic demand variability for building structures. A representative high-performance regional-scale computational model is utilized to execute ground motion and building response simulations based on 18 kinematic rupture realizations of an M7 strike-slip scenario earthquake. The fault rupture models for the scenario earthquake are created by systematically perturbing the hypocenter location and stochastically generating rupture parameters (slip, rise time, rake angle) to represent a breadth of ground motion intensities resulting from the spatial and temporal variabilities of an earthquake rupture process. The resulting seismic demand variability for three-story (short period) and forty-story (long period) steel moment-resisting frame buildings is characterized in terms of the median and distribution of peak inter-story drift ratio for a range of near-fault sites. The full suite of 18 fault rupture realizations and approximately 280,000 nonlinear dynamic building simulations indicate that the three-story building undergoes higher median seismic demand and significantly greater variability of demand at a given site than the forty-story building, which has important implications for the level of certainty in predicting building performance during an earthquake. The simulations performed provide deeper insight into the relationship between fault rupture parameterization and building response, which is essential information for developing a representative suite of rupture realizations for specific earthquake scenarios.

58 GEOSCIENCES↗

Power capture and power take-off load of a self-balanced dual-flap oscillating surge wave energy converter

Wave energy converters are an important part of future renewable energy infrastructure. Predicting their power matrix, capture width ratio, and power take-off loads at a targeted site is required for performance assessment before deployment. Because their testing is very expensive, numerical modeling and simulations play a significant role in those assessments. Linear potential flow theory has limited accuracy under large amplitude wave forcing. More accurate predictions can be obtained by using higher-fidelity models, which are computationally expensive. We present a framework for multi-fidelity numerical simulations to determine the hydrodynamic response, wave capture capability, and power take-off load of a full-scale dual-flap oscillating surge wave energy converter. This design exploits out-of-phase motion by setting the distance between the flaps to half the wavelength of the most occurring wave. The simulations are validated using a 1:10 model experiments in a wave tank. Based on these validations, it was determined that Euler simulations provide an acceptable prediction with 90% reduction in computational time with only 11% error. Utilizing Euler simulations at full-scale, the results demonstrate that the annual electrical energy output is 1.79 GWh under regular wave conditions. Here, one significant improvement over single-flap designs is the capture width ratio which exceeds unity.

16 TIDAL AND WAVE POWER↗

Turbulence modeling to aid tidal energy resource characterization in the Western Passage, Maine, USA

Numerical models combined with field measurements are regularly used to characterize tidal energy resources at potential energetic sites. However, most existing works only focus on the tidal hydrodynamic characteristics, and turbulence parameters are often not reported because of the lack of high-quality turbulence measurements and the limitations of numerical models in resolving turbulent eddies. In this study, we used FVCOM - a hydrostatic primitive equation (HPE) model - to characterize the tidal energy resource in the Western Passage, Maine, USA, by taking care of the essential macro-scale turbulence properties. We observed an excellent model performance using the Mellor-Yamada Level 2.5 Turbulence Model; estimating the spatial and vertical distribution of the turbulent kinetic energy and intensity added a new perspective to the site ranking for tidal energy converter (TEC) deployments. In addition, we also examined the role of channel geometry and bathymetry, such as headlands and underwater sills, in enhancing turbulent eddies around potential TEC siting locations. Ultimately, the detailed analysis of the turbulent flow characteristics has changed the site-ranking results and demonstrated that the regional-scale HPE models could be used for the relative understanding of more or less turbulent sites for a refined resource assessment.

16 TIDAL AND WAVE POWER↗

Land–Atmosphere Coupling at the U.S. Southern Great Plains: A Comparison on Local Convective Regimes between ARM Observations, Reanalysis, and Climate Model Simulations

Using the 9-yr warm-season observations at the Atmospheric Radiation Measurement Southern Great Plains site, in this work we assess the land–atmosphere (LA) coupling in the North American Regional Reanalysis (NARR) and two climate models: hindcasts with the Community Atmosphere Model version 5.1 by Cloud-Associated Parameterizations Testbed (CAM5-CAPT) and nudged runs with the Energy Exascale Earth System Model Atmosphere Model version 1 Regionally Refined Model (EAMv1-RRM). We focus on three local convective regimes and diagnose model behaviors using the local coupling metrics. NARR agrees well with observations except a slightly warmer and drier surface with higher downwelling shortwave radiation and lower evaporative fraction. On clear-sky days, it shows warmer and drier early-morning conditions in both models with significant underestimates in surface evaporation by EAMv1-RRM. On the majority of the ARM-observed shallow cumulus days, there is no or little low-level clouds in either model. When captured in models, the simulated shallow cumulus shows much less cloud fraction and lower cloud bases than observed. On the days with late-afternoon deep convection, models tend to present a stable early-morning lower atmosphere more frequently than the observations, suggesting that the deep convection is triggered more often by elevated instabilities. Generally, CAM5-CAPT can reproduce the local LA coupling processes to some extent due to the constrained early-morning conditions and large-scale winds. EAMv1-RRM exhibits large precipitation deficits and warm and dry biases toward mid-to-late summers, which may be an amplification through a positive LA feedback among initial atmosphere and land states, convection triggering and large-scale circulations.

58 GEOSCIENCES↗

NC State University Industrial Assessment Center. Final Report

This report documents work from the Industrial Assessment Center program at NC State University. The program is funded by the US Department of Energy Advanced Manufacturing Office. The IAC provides energy conservation assessments for small and medium sized manufacturers in NC, SC, and VA. Students are involved in all aspects of the assessment including the on-site visit, interacting with plant personnel, collecting data, performing engineering analyses on potential energy efficiency measures, and producing a technical report for the client.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Application of Modified Meshgraphnets for Subsurface Prediction during CO2 Sequestration

In the face of the increasingly dire consequences of anthropogenic climate change, capturing and storing carbon dioxide is paramount. However, several impediments exist to the safe and effective subsurface storage of CO2, such as cost of transport, identification of suitable sites for subsurface storage, and assessment of long-term risk from storage in subsurface aquifers. Accurate subsurface modeling is necessary to ensure that CO2 storage is both safe and effective. Still, such modeling has traditionally required either substantial time and computational power (numerical simulation) or a substantial amount of pre-existing data for training (machine learning models). Additionally, these models lack flexibility in dealing with both changes in discretization of the input data and generalizability beyond the data on which they are trained. In order to address these issues, this research applies graph neural networks (GNNs) to predict subsurface saturation and pressure during CO₂ injection in a model of the Illinois Basin-Decatur Project (IBDP). GNNs provide a flexible, intuitive method for representing and manipulating complex unstructured data, which is often found in many practical domain problems such as fluid flow and subsurface characterization. These unstructured grids are easily represented in GNNs by representing spatially-localized features such as permeability, porosity, saturation, and pressure as nodes in a graph and relationships between these properties as edges connecting these nodes. This research applies a specific GNN model called MeshGraphNets (MGN) to model the change in CO2 saturation and pressure over a 50-month time period (36 months of injection, 14 months post-injection). The MGN model leverages a message passing process that allows the network to learn both the spatial and temporal dynamics of this system simultaneously. Additionally, training on a limited dataset (64 realizations, 20 time points each) resulted in a high degree of accuracy in saturation prediction both within the same timeframe as the training (20 months, 0.039 average RMSE) and when projecting out to the end of injection (36 months, 0.053 average RMSE). Temporal predictions such as those generated by MGNs and other similar models are prone to accumulated error over time; in order to address this, a multi-step rollout (MSR) training process was applied to calculate training loss. This method mimics the forward prediction during inference by “rolling out” multiple time points in a single training step using the previous prediction as input to the MGN model. By calculating the loss several time steps forward from the current prediction, the model is forced to find a more stable state over time. Application of MSR to the MGN model resulted in an average 15% reduction in inference error over time during forward prediction. This study showcases the immense potential of GNNs as a game-changing methodology for predicting pressure and saturation evolution in CCS projects, ultimately paving the way for more sustainable and effective carbon storage solutions. Presentation prepared for the 2024 AiChE Annual Meeting, October 27 to November 1 2024, San Diego, CA.

Holcomb, Paul↗

Methane Mitigator – Development of a Scalable Vent Mitigation Strategy to Simultaneously Reduce Methane Emissions and Fuel Consumption from the Compression Industry (Final Technical Report)

Researchers at West Virginia University completed a multi-year project under DE-FE0031865 entitled “Methane Mitigator – Development of a Scalable Vent Mitigation Strategy to Simultaneously Reduce Methane Emissions and Fuel Consumption from the Compression Industry”. An assessment of natural gas production site emission sources was completed to quantify the potential for emissions reductions and reductions in fuel consumption. The main sources of fugitive methane emissions at gas productions sites include condensate tanks, produced water tanks, gas compressor packing vents, pneumatic controller vents, and natural gas engine crankcase vents.

03 NATURAL GAS↗

Fast Characterization of Inducible Regions of Atrial Fibrillation Models With Multi-Fidelity Gaussian Process Classification

Computational models of atrial fibrillation have successfully been used to predict optimal ablation sites. A critical step to assess the effect of an ablation pattern is to pace the model from different, potentially random, locations to determine whether arrhythmias can be induced in the atria. In this work, we propose to use multi-fidelity Gaussian process classification on Riemannian manifolds to efficiently determine the regions in the atria where arrhythmias are inducible. We build a probabilistic classifier that operates directly on the atrial surface. We take advantage of lower resolution models to explore the atrial surface and combine seamlessly with high-resolution models to identify regions of inducibility. We test our methodology in 9 different cases, with different levels of fibrosis and ablation treatments, totalling 1,800 high resolution and 900 low resolution simulations of atrial fibrillation. When trained with 40 samples, our multi-fidelity classifier that combines low and high resolution models, shows a balanced accuracy that is, on average, 5.7% higher than a nearest neighbor classifier. We hope that this new technique will allow faster and more precise clinical applications of computational models for atrial fibrillation. All data and code accompanying this manuscript will be made publicly available at: https://github.com/fsahli/AtrialMFclass.

59 BASIC BIOLOGICAL SCIENCES↗