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At least 37 records · Page 2

Enhanced Hanford Low-Activity Waste Glass Property Data Development (Phase 3)

This work was performed for the U.S. Department of Energy (DOE) Office of River Protection (ORP) to provide expert evaluation and experimental work in support of the River Protection Project vitrification technology development1. The long-term objective of this work is to expand the property-composition database for Hanford site low-activity waste (LAW) glasses and property-composition models to cover the balance of the mission for the Hanford Waste Treatment and Immobilization Plant (WTP). When this effort is complete, enhanced LAW glass property-composition models will be developed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Dynamic stability test results on an 0.024 scale B-1 air vehicle

Dynamic longitudinal and lateral-directional stability characteristics of the B-1 air vehicle were investigated in three wind tunnels at the Langley Research Center. The main rotary derivatives were obtained for an angle of attack range of -3 degrees to +16 degrees for a Mach number range of 0.2 to 2.16. Damping in roll data could not be obtained at the supersonic Mach numbers. The Langley 7 x 10 foot high speed tunnel, the 8 foot transonic pressure tunnel, and the 4 foot Unitary Plan wind tunnel were the test sites. An 0.024 scale light-weight model was used on a forced oscillation type balance. Test Reynolds number varied from 474,000/ft to 1,550,000/ft. through the Mach number range tested. The results showed that the dynamic stability characteristics of the model in pitch and roll were generally satisfactory up to an angle attack of about +6 degrees. In the wing sweep range from 15 to 25 degrees the positive damping levels in roll deteriorated rapidly above +2 degrees angle of attack. This reduction in roll damping is believed to be due to the onset of separation over the wing as stall is approached.

Beeman, R. R.↗

Thermodynamics-guided machine learning model for predicting convective boundary layer height and its multi-site applicability

Accurate estimation of convective boundary layer height (CBLH) is vital for weather, climate, and air quality modeling. Machine learning (ML) shows promise in CBLH prediction, but input parameter selection often lacks physical grounding, limiting generalizability. This study introduces a novel ML framework for CBLH prediction, integrating thermodynamic constraints and the diurnal CBLH cycle as an implicit physical guide. Boundary layer growth is modeled as driven by surface heat fluxes and atmospheric heat absorption represented with the low tropospheric stability, using the diurnal cycle as input and output. TPOT and AutoKeras are employed to select optimal models, validated against Doppler lidar-derived CBLH data, achieving an R 2 of 0.84 across untrained years. Comparisons of eddy covariance (ECOR) and energy balance Bowen ratio (EBBR) flux measurements show the same prediction capability. Models trained on the ARM SGP C1 site with ECOR data and tested at E37 and E39 yield R 2 values of 0.79 and 0.81, respectively, demonstrating their adaptability. The ML model trained with all sites' data slightly enhances the performance compared with ML models trained over single-site data. The interquartile range for predicted CBLH is consistently narrower than that for DL-derived CBLH, reflecting lower variability in predicted CBLH compared to DL-derived CBLH, which is influenced by additional factors, which are not well represented with the model inputs. The model's generalizability across multiple sites at the ARM SGP site demonstrates its potential for transfer to greater distances, offering a scalable approach for enhancing boundary layer parameterization in atmospheric models.

Chu, Yufei [Stony Brook Univ., NY (United States)]↗

Engineering Active Sites of Metal/Metal Oxide Catalysts by Oxide Ligand Overlayers

Abstract Engineering sites of supported metal catalysts is essential to enhancing activity and selectivity. Such enhancement is typically achieved by particle size modification, surface alloying, or attaching molecular ligands. Yet, control strategies for complex, multifunctional molecules and catalysts, where selectivity is crucial, are lacking. Here, we demonstrate that submonolayer WO x with tunable coverage preferentially decorates well‐coordinated Pt terrace sites as a stable ligand. By combining experimental kinetics with probe molecules, in situ spectroscopies, and first‐principles modeling, we show that the WO x coverage on Pt modifies the metal‐to‐acid site balance while retaining the acid strength intact and results in optimal reactivity for metal‐acid catalyzed reactions at a specific metal, size, and support‐dependent WO x coverage. The oxide can also alter the reactant adsorption mode, reversing selectivity and pathways from terrace‐ to step‐dominated, as evidenced in furfural decarbonylation and hydrogenation. The insights open avenues for improving metal/metal oxide catalysts beyond the specific system.

Zhou, Jiahua↗

Estimating reflected and emitted components of the radiation balance using remotely-sensed spectral data from KUREX-91

The estimation of incoming and outgoing radiation streams using bidirectional spectral reflectances and bidirectional thermal emittances is described. Good agreement between measured and modeled estimates of the radiation balance is obtained. The data used were collected over selected grassland sites on the Streletskaya Steppe Reserve in Russia in July 1991. Results from this study compare well with results obtained during the first ISLSCP field experiment (FIFE) study in Kansas in 1987-89.

Blad, B. L.↗

Measuring and modeling near-surface reflected and emitted radiation fluxes at the FIFE site

Information is presented pertaining to the measurement and estimation of reflected and emitted components of the radiation balance. Information is included about reflectance and transmittance of solar radiation from and through the leaves of some grass and forb prairie species, bidirectional reflectance from a prairie canopy is discussed and measured and estimated fluxes are described of incoming and outgoing longwave and shortwave radiation. Results of the study showed only very small differences in reflectances and transmittances for the adaxial and abaxial surfaces of grass species in the visible and infrared wavebands, but some differences in the infrared wavebands were noted for the forbs. Reflectance from the prairie canopy changed as a function of solar and view zenith angles in the solar principal plane with definite asymmetry about nadir. The surface temperature of prairie canopies was found to vary by as much as 5 C depending on view zenith and azimuth position and on the solar azimuth. Aerodynamic temperature calculated from measured sensible heat fluxes ranged from 0 to 3 C higher than nadir-viewed temperatures. Models were developed to estimate incoming and reflected shortwave radiation from data collected with a Barnes Modular Multiband Radiometer. Several algorithms for estimating incoming longwave radiation were evaluated and compared to actual measures of that parameter. Net radiation was calculated using the estimated components of the shortwave radiation streams, determined from the algorithms developed, and from the longwave radiation streams provided by the Brunt, modified Deacon, and the Stefan-Boltzmann models. Estimates of net radiation were compared to measured values and found to be within the measurement error of the net radiometers used in the study.

Blad, Blaine L.↗

A Comparison of FIFE Observation with GEOS Assimilated Data Including a Heterogeneous LSM

Several recent studies have shown that much can be learned by comparing grid-point data from a data assimilation system with in-situ observations from field experiments. While the surface heterogeneity is acknowledged in these studies, they lack quantitative representations of the influence of heterogeneity on the near-surface meteorology and surface hydrologic and energy balance. Here, we use the Betts and Ball FIFE site-averaged data. Standard deviations of the site-average will provide an estimate of the FIFE site heterogeneity. Recently, the Mosaic Land-Surface Model (LSM) has been incorporated into the Goddard Earth Observing System (GEOS) Data Assimilation System (DAS). The Mosaic LSM computes the surface energy and hydrologic balance for nine distinct surface types at each grid-point. Each surface type is proportionally weighted to determine the mean grid point properties. Hence, we can compare modeled and observed grid-point variability in addition to the mean properties. Also, assimilated data sets created with and without the LSM are compared. The results indicate the importance of including quantitative estimates of heterogeneity in the analysis of the land surface hydrology and energy balances in assimilation systems.

Bosilovich, M.↗

On the Relationship Between Sub-Daily Instantaneous and Daily Total Gross Primary Production: Implications for Interpreting Satellite-Based SIF Retrievals

Spatially and temporally continuous estimation of plant photosynthetic carbon fixation (or gross primary production, GPP) is crucial to our understanding of the global carbon cycle and the impact of climate change. Besides spatial, seasonal and interannual variations, GPP also exhibits strong diurnal variations. Satellite retrieved solar-induced chlorophyll fluorescence (SIF) provides a spatially continuous, but temporally discrete measurement of plant photosynthesis, and has the potential to be used to estimate GPP at global scale. However, it remains unclear whether the seasonal time series of SIF snapshots taken at a fixed time of the day can be used to infer daily total GPP variation at spatial and seasonal scales. In this study, we first used GPP estimates from 135 eddy covariance flux sites, covering a wide range of geographic locations and biome types, to investigate the relationship between the instantaneous GPP (GPP(sub inst)) and daily GPP (GPP(sub daily)) on the seasonal course for different times of the day. Latitudinal and diurnal patterns were found to correspond to variations in photosynthetically active radiation (PAR) and light use efficiency (LUE), respectively. We then used the Soil-Canopy Observation Photosynthesis and Energy Balance (SCOPE) model and the FluxCom GPP product to investigate the instantaneous and daily SIF-GPP relationships at five flux tower sites along a latitudinal gradient and at a global scale for different biome types. The results showed that daily SIF had a stronger linear correlation with daily GPP than instantaneous SIF at the seasonal scale, with an instantaneous to daily SIF conversion factor following the latitudinal and seasonal pattern driven by PAR. Our study highlights the necessity to take the latitudinal and diurnal factors into consideration for SIF-GPP relationship analyses or for physiological phenology analyses based on SIF.

photosynthesis model↗

Shrub Expansion Can Counteract Carbon Losses From Warming Tundra

Arctic warming is causing substantial compositional, structural, and functional changes in tundra vegetation including shrub and tree-line expansion and densification. However, predicting the carbon trajectories of the changing Arctic is challenging due to interacting feedbacks between vegetation composition and structure, and surface characteristics. We conduct a sensitivity analysis of the current-date to 2100 projected surface energy fluxes, soil carbon pools, and CO 2 fluxes to different shrub expansion rates under future emission scenarios (intermediate—RCP4.5, and high—RCP8.5) using the Arctic-focused configuration of E3SM Land Model (ELM). We focus on Trail Valley Creek (TVC), an upland tundra site in the western Canadian Arctic, which is experiencing shrub densification and expansion. We find that shrub expansion did not significantly alter the modeled surface energy and water budgets. However, the carbon balance was sensitive to shrub expansion, which drove higher rates of carbon sequestration as a consequence of higher shrubification rates. Thus, at low shrub expansion rates, the site would become a carbon source, especially under RCP8.5, due to higher temperatures, which deepen the active layer and enhance soil respiration. At higher shrub expansion rates, TVC would become a net CO 2 sink under both Representative Concentration Pathway scenarios due to higher shrub productivity outweighing temperature-driven respiration increase. Our simulations highlight the effect of shrub expansion on Arctic ecosystem carbon fluxes and stocks. We predict that at TVC, shrubification rate would interact with climate change intensity to determine whether the site would become a carbon sink or source under projected future climate.

Yazbeck, Theresia [The Ohio State Univ., Columbus,↗

Application of Process Chemical Modeling to Optimize Radioactive Waste Disposal at the Savannah River Site - 24242

The Technical Optimization Model (TOM) is used by Savannah River Mission Completion (SRMC) to carry out facility-wide material balance and validate chemistrydependent processes for the purpose of their System Plan.The TOM simulates material movement and chemical reactions at the Tank Farm (TF), Salt Waste Processing Facility (SWPF) and Defense Waste Processing Facility (DWPF).

Georgiou, Andreas↗

Apollo 16 Mafic Glass: Geochemistry, Provenance, and Implications

Although the Apollo 16 mission landed in the feldspathic lunar highlands, mass-balance models suggest that there is a 5-6% mare component in the mature soils collected at the site. Only one mare basalt greater than 1 cm was found and two surveys of 2-4 mm particles found that less than 1% of this size fraction is mare basalt. Similar surveys of the less than 1 mm size fraction of A16 soils found very little lithic mare basalt, but several percent of basaltic green, yellow, and orange glass. The green glass beads were identified as VLT picritic glass and the orange/yellow glass shards were a mix of high and low Ti mare-like glass, high-Al basaltic glass, and KREEPy glasses. Most previous studies of glasses in the A16 regolith were surveys that identified a high proportion of feldspathic glass because most of the glass is produced by local impacts. Because the number of mafic glasses found was low, few compositional groupings were identified. As part of our ongoing study of the mafic components of the Apollo 16 site, we specifically targeted mafic glasses from Apollo 16, selecting against the more feldspathic glasses. In this way we were able to identify over 300 mafic glasses (greater than 10 wt % FeO). We present here the major- and trace-element chemistry of the main glass groups and discuss the likely provenance of each group.

Zeigler, R. A.↗

Contributions of vegetation heterogeneity within tower footprint to CO 2 flux estimations through graph neural network modeling

Net ecosystem exchange of CO 2 (Fc) measured directly by eddy covariance towers is based on various assumptions, including large, flat and homogenous land cover type. In reality, often a tower site is not large enough for flux measurements, and landscapes consist of patches of different land cover types within the flux footprint. In addition, some portions of fluxes are contributed by different cover types when a footprint exceeds the size of the target ecosystem. The contributions of non-dominant patches to Fc are often ignored. Here, in this study, we propose a novel integrated modeling framework that combines random forest (RF) and XGBoost with a residual correction module based on a deep graph convolutional network (DeeperGCN) to simulate Fc for seven flux measurement sites in southwest Michigan. High-resolution remote sensing vegetation indices, soil properties, meteorological variables, and footprint-weighted spatial features were used as model inputs at three spatial resolutions (10 m, 20 m, 30 m), and their importance in predicting Fc with DeeperGCN was assessed. We found that residual correction using DeeperGCN significantly improved prediction accuracy, with the R 2 increasing from 0.9098 to 0.9479 for RF and from 0.9235 to 0.9433 for XGBoost. At site level, the maximum improvement in R 2 reached 0.1617. Paired t-tests confirmed that these improvements were statistically significant (p < 0.05). Among all predictors, leaf area index and incoming shortwave radiation emerged as the dominant drivers of spatial residual variation, followed by precipitation, relative humidity, and selected vegetation indices. The 20 m resolution yielded the best balance between model performance and computational efficiency. In conclusion, our modeling framework effectively captures both spatial heterogeneity and nonlinear interactions, offering a robust solution for spatially explicit flux modeling in structurally diverse ecosystems beyond the study sites.

footprint model↗

Observations and modeling reveal that heatwaves reduce photosynthesis, plant carbon reserves, and net carbon uptake

Heatwaves threaten ecosystem carbon balances, yet the mechanisms driving short-term carbon flux responses remain poorly understood. Here, integrating high-frequency eddy covariance (EC) data from 140 global flux tower sites (872 site-years) with detailed process-based modeling, we examine ecosystem responses during and immediately after heatwaves. We show that heatwaves caused a −40% (range [−29%, −128%]) reduction in net ecosystem productivity (NEP) compared to pre-heatwave values, with this reduction persisting over the following two weeks (−38% range [+3%, −154%]). We attributed NEP decreases to photosynthesis decreases more than to ecosystem respiration (RE) increases. Forest sites had greater NEP decreases during heatwaves than non-forest sites, but remained carbon sinks afterwards, indicating resilience. Our modeling analysis of extreme heatwaves at selected EC sites shows that decreased photosynthesis, increased maintenance respiration, and decreased plant non-structural carbon reserves during heatwaves drive carbon cycle changes that persist for weeks. Consistent with phenocam observations, we modeled a reduction in leaf area index caused by reduced non-structural carbon reserves, leading to early leaf senescence and longer-term impacts. Ongoing increases in heatwaves are therefore likely to reduce NEP across a range of ecosystems, exacerbating carbon cycle feedback.

carbon cycle↗

Web-Based Tools for Data-Informed Remedy Optimization: Software Theory and User Guide

This report documents the development and application of two web-based decision-support tools for pump-and-treat (P&T) groundwater remediation systems: PTOLEMY (Pump-and-Treat Optimized Location Evaluation to Maximize Yields) and OPTIMA (Optimization for Pump-and-Treat Implementation, Management, & Assessment). These tools enhance remedy design and management by leveraging advanced computational methods – specifically deep learning and multi-objective optimization – within a user-friendly platform. By integrating data-driven models with established hydrogeological knowledge, PTOLEMY and OPTIMA enable more efficient evaluation of well placement and operational strategies, helping site managers balance multiple remediation objectives under complex conditions. Both tools are implemented as modules within the SOCRATES (Suite Of Comprehensive Rapid Analysis Tools for Environmental Sites) web platform, which provides data access, visualization, and analytics to support remedy optimization across sites in the U.S. Department of Energy Office of Environmental Management complex. PTOLEMY is a rapid screening module designed to identify promising locations for new extraction wells. It employs a multi-channel three-dimensional convolutional neural network (MC3D-CNN) trained on high-fidelity simulation data to predict the relative performance (in terms of contaminant mass recovery) of potential well sites. Through an interactive web interface, PTOLEMY visualizes the probability of high performance across a site, highlighting areas where an extraction well is likely to yield above-threshold contaminant removal over a multi-year period. PTOLEMY’s map-based displays and exportable results support transparent communication of screening analyses. By focusing attention on the most favorable candidate locations, the tool augments traditional engineering judgment and physics-based modeling, providing a data informed basis for subsequent detailed evaluations. OPTIMA is a multi objective optimization module designed to find wellfield layouts and operating schedules that meet various cleanup goals. It quickly evaluates thousands of candidate setups – combinations of well locations, timing, and rates – and returns a small set of best trade-off options for comparison. At its core, OPTIMA uses a U-Net-based surrogate model – a deep-learning emulator of a groundwater flow and transport simulator – to dramatically accelerate scenario evaluations. Coupling this fast surrogate with the NSGA-II (Non-dominated Sorting Genetic Algorithm II) evolutionary algorithm, OPTIMA explores a wide decision space of well locations and schedules to identify Pareto-optimal solutions that trade off key objectives (e.g., minimizing cleanup time, maximizing contaminant mass removal, and minimizing plume extent). The tool outputs a family of optimal configurations and visualizes their trade-offs (Pareto frontiers of cleanup metrics and maps of optimized well placements). Site managers can use these results to understand the range of viable strategies and to select candidate designs for more detailed verification. OPTIMA is currently under active development and not yet fully released; this guide provides early documentation to support planning and gather user feedback.

54 ENVIRONMENTAL SCIENCES↗

Brain‐age prediction: Systematic evaluation of site effects, and sample age range and size

Abstract Structural neuroimaging data have been used to compute an estimate of the biological age of the brain (brain‐age) which has been associated with other biologically and behaviorally meaningful measures of brain development and aging. The ongoing research interest in brain‐age has highlighted the need for robust and publicly available brain‐age models pre‐trained on data from large samples of healthy individuals. To address this need we have previously released a developmental brain‐age model. Here we expand this work to develop, empirically validate, and disseminate a pre‐trained brain‐age model to cover most of the human lifespan. To achieve this, we selected the best‐performing model after systematically examining the impact of seven site harmonization strategies, age range, and sample size on brain‐age prediction in a discovery sample of brain morphometric measures from 35,683 healthy individuals (age range: 5–90 years; 53.59% female). The pre‐trained models were tested for cross‐dataset generalizability in an independent sample comprising 2101 healthy individuals (age range: 8–80 years; 55.35% female) and for longitudinal consistency in a further sample comprising 377 healthy individuals (age range: 9–25 years; 49.87% female). This empirical examination yielded the following findings: (1) the accuracy of age prediction from morphometry data was higher when no site harmonization was applied; (2) dividing the discovery sample into two age‐bins (5–40 and 40–90 years) provided a better balance between model accuracy and explained age variance than other alternatives; (3) model accuracy for brain‐age prediction plateaued at a sample size exceeding 1600 participants. These findings have been incorporated into CentileBrain ( https://centilebrain.org/#/brainAGE2 ), an open‐science, web‐based platform for individualized neuroimaging metrics.

60 APPLIED LIFE SCIENCES↗

Definition study for photovoltaic residential prototype system

A parametric sensitivity study and definition of the conceptual design is presented. A computer program containing the solar irradiance, solar array, and energy balance models was developed to determine the sensitivities of solar insolation and the corresponding solar array output at five sites selected for this study as well as the performance of several solar array/battery systems. A baseline electrical configuration was chosen, and three design options were recommended. The study indicates that the most sensitive parameters are the solar insolation and the inverter efficiency. The baseline PST selected is comprised of a 133 sg m solar array, 250 ampere hour battery, one to three inverters, and a full shunt regulator to limit the upper solar array voltage. A minicomputer controlled system is recommended to provide the overall control, display, and data acquisition requirements. Architectural renderings of two photovoltaic residential concepts, one above ground and the other underground, are presented. The institutional problems were defined in the areas of legal liabilities during and after installation of the PST, labor practices, building restrictions and architectural guides, and land use.

Imamura, M. S.↗

A Nonequilibrium Thermodynamic Approach for Surface Energy Balance Closure

Abstract The surface energy imbalance, viz. that the turbulent dissipation does not fully account for available energy, has for long been an outstanding challenge in geophysical studies. In this study, we developed a novel approach based on nonequilibrium thermodynamics by representing the atmospheric boundary layer as a heat engine. In addition, an analytically tractable approach was used to estimate the ground heat flux based on Green's function approach, which in turn determines the available energy that drives the atmospheric heat engine. The proposed model was evaluated using heat fluxes measured by eight AmeriFlux eddy covariance towers with atmospheric temperature profiles recorded at adjacent radiosonde sites. The surface energy balance closure can be improved by ~11% over various landscapes, by including the estimated power production from the atmospheric heat engine.

Li, Peiyuan↗

Generalized Relationship Linking Water Balance and Vegetation Productivity across Site-to-Regional Scales

Evapotranspiration (ET) is a pivotal component in catchment-scale water balance and is essential for informed watershed management. Nevertheless, uncertainties in ET observation or modeling have been hindering effective water resources management. This study addresses this gap by establishing a robust, generalized linear relationship between ET and gross primary productivity (GPP) at the catchment scale. We test the linearity of the relationships between monthly GPP and ET data at 380 near-natural catchments across various climatic and landscape conditions in the contiguous U.S., yielding Pearson’s r ≥ 0.6 for 97% of the 380 catchments. We then develop a regionalization strategy to parameterize this GPP-ET relationship at the catchment scale by identifying and utilizing the linkages between the parameter values and extensively available hydroclimatic and landscape data. We demonstrate the efficacy of the proposed GPP-ET relationship and parameter regionalization strategy by their combined predictive capacity, where the predicted monthly GPP matches well with remote-sensing-based GPP product, achieving Kling-Gupta Efficient (KGE) values ≥ 0.5 for 92% of the catchments. In addition, we verify the relationship and its parameter regionalization at 35 AmeriFlux sites with KGE ≥ 0.5 for 25 sites, suggesting that the new relationship is transferable across the site, catchment, and regional scales. Furthermore, our findings are valuable for improving remote-sensing-based estimation of monthly ET and diagnosing coupled water–carbon simulations in land surface and Earth system models.

54 ENVIRONMENTAL SCIENCES↗