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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Influence of tritium exposure route on vegetation types at the Savannah River Site

Plant, soil, water, and other media from various locations at the Savannah River Site were measured for total tritium (T) content and T speciation to characterize T in these areas, as well as investigate its uptake behavior and the transport of T species in these media. This characterization included the isolation and measurement of T in tritiated water (HTO), and (when possible) exchangeable organic bound T (E-OBT) and non-exchangeable organic bound T (NE-OBT). Two areas of interest were investigated: (1) a holding pond with T-contaminated water and (2) open basins or streams with low to background levels of T. Water in the holding pond is used to irrigate forest plots in the local area as a T remediation approach. This study compares the analytical data for water, soil/sediment, plants, and lichens from these locations. Here, the results indicate that the behavior of T in plants from these areas can be a function of one or more of the following: seasonal precipitation, the plant's primary route of access to the T-contamination (such as water uptake through the root vs. shoot), plant physical location (relative to T-contaminated water sources), plant rooting depth, pond water level, and plant height above the ground. Total T concentrations were lowest in the un-irrigated forest plants, followed by irrigated forest plants, shallow rooting plants near the pond, deep rooting plants further from the pond, and then water-saturated plants. The OBT:HTO and NE-OBT:E-OBT ratios were always greater for plants from irrigated forest plots compared to those from the holding pond.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Divertor-safe nonlinear burn control based on a SOLPS parameterized core-edge model for ITER

Abstract For ITER operations, the range of desirable burning-plasma regimes with high fusion power output will be restricted by various operational constraints. These constraints include the saturation of ITER’s various heating and fueling actuators such as the neutral beam injectors, the ion and electron cyclotron heating systems, the gas puffing system, and the deuterium–tritium pellet injectors. In addition to these actuator constraints, the H-mode power threshold, divertor detachment, and the heat load on the divertor targets may apply limitations to ITER’s operational space. In this work, Plasma Operation Contour (POPCON) plots that map the aforementioned constraints to the temperature-density space are used to investigate which constraints are most limiting towards accessing regimes with high fusion power output. The presented POPCON plots are based on a control-oriented core-edge model that couples the nonlinear density and energy response models for the core-plasma region with SOLPS4.3 parameterizations for conditions in the edge-plasma regions (scrape-off-layer and divertor). Using this control-oriented core-edge model, a nonlinear burn controller, which aims to regulate the plasma temperature and density in the core-plasma region, is constructed in this work. This controller is augmented with an online optimization scheme that governs the control references such that the plasma can be guided towards regimes with high fusion powers while protecting the divertor targets from dangerously high heat loads. A closed-loop simulation study illustrates the capability of this burn control scheme.

Physics↗
DOE OSTI2024

Little prairie under the panel: testing native pollinator habitat seed mix establishment at three utility-scale solar sites in Minnesota

Abstract As more land is being utilized for large-scale solar energy projects, there are increasing discussions from stakeholders on how to utilize land under solar panels to promote biodiversity. One path is to plant habitat beneficial to pollinators and other insects, but there have been few long-term studies that examine how different vegetation and seed mixes establish underneath solar panels. This study addresses a scientific gap to determine whether native pollinator seed mixes successfully establish over time under solar arrays using a systematic assessment of eight seed mixes planted at three utility-scale solar sites in Minnesota. We assess establishment with a percent native coverage metric, which is an assessment of native species observations compared to total observations during percent cover analyses in our vegetative test plots. The percent native coverage metric allows for a measurement of how the seed mix established and how the seed mix persists over time. The percent native coverage under and in between the solar photovoltaic (PV) arrays rose from 10% after one year of planting to 58% after three years across all sites, while the native coverage of the full sun control area rose from 9.6% to 70% under the same period, showing that native prairie and pollinator plants successfully established under the array, although to a lesser extent than in full sun conditions. Percent native coverage under the PV arrays rose 5- to 8-fold for each of the three sites from over the course of the study, while the coverage of weeds decreased for all three sites over the same period. Percent native coverage varied by seed mix over the project years, but every seed mix experienced a higher percent native coverage year after year under the PV arrays. Our results did not indicate a difference in establishment across placement within the array; the center, west, and east portions of the areas in between panels had similar establishment rates at two out of three sites, indicating that the same seed mix can be applied throughout the array. Out of 101 plant species seeded, we observed the establishment of 68 species in our vegetative test plots, and we detailed the top 20 observed species to inform future seed mix development. Based on these findings, native pollinator vegetation can establish over time at solar arrays, and it can be suitable for creating habitat at utility-scale solar sites.

14 SOLAR ENERGY↗
DOE OSTI2024

Measurements of radioxenon activities during periods of gaseous release from an advanced gas-cooled reactor

Activities of radioxenon isotopes are reported from an Advanced Gas-cooled Reactor (AGR) during periods of gaseous release. Xenon isotopes are relevant to the monitoring regime of the Comprehensive Nuclear-Test-Ban Treaty (CTBT). These releases may affect detections from the International Monitoring System (IMS) by influencing the radioxenon background. Time series activity plots have been produced from both in-core monitoring and direct measurement at the point of release using a stack monitor system. Ratio plots using both data sets have been produced with results compared with a commonly chosen nuclear explosion “discrimination line.” The reported results improve the understanding of radionuclide emissions from civil nuclear power plants. This work is being performed as part of the Xenon Environmental Nuclide Analysis at Hartlepool (XENAH) collaboration between the Atomic Weapons Establishment (AWE, UK), EDF Energy (UK), Pacific Northwest National Laboratory (PNNL, USA), and the Swedish Defence Research Agency (FOI).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Net-proton fluctuations influenced by baryon stopping and quark deconfinement

Preliminary data from the Beam-Energy Scan II measurements by the STAR Collaboration at the Relativistic Heavy Ion Collider suggest a dip in the fourth-to-second-order cumulant ratio when plotted vs beam energy. At the same energy range where the structure appears, a transition from hadrons to quarks is expected, the deconfinement transition. In this paper, the role of quark deconfinement in establishing fluctuations in the early stages of the collision is considered. Two models are compared: one with stopping occurring on a baryon-by-baryon basis, and a second where stopping proceeds through quark degrees of freedom. In the latter model, the fluctuation of baryon number is significantly reduced and this signal is found to survive recombination into hadrons and the subsequent diffusion. The transformation from baryon to quark stopping thus produces a dip in the fourth-to-second-order cumulant ratio when plotted vs beam energy, consistent with observations.

Baryons↗
DOE OSTI2025

Visualization of Noisy and Less Noisy Computational Basis States in Quantum Computing

Quantum computing technology holds substantial promise as a reliable computational paradigm. However, current noisy intermediate scale quantum (NISQ) systems, are significantly impacted by noise originating from hardware inconsistencies. This noise causes errors and lowers output fidelity. So we must find which basis states cause errors. However, there are two main challenges in analyzing noise corresponding to basis states. First, the noise distribution data is high dimensional in nature, thereby making its analysis challenging. Second, although functional box plots have been used in the state of the art research to understand such a high dimensional data, they suffer from clutter and occlusion issues because of overplotting. In this study, we introduce an innovative visualization pipeline to address the aforementioned challenges to provide a clear depiction of noisy and less-noisy basis states. Specifically, our proposed visualization pipeline comprises three stages namely, low dimensional embedding, clustering, and violin plot visualization, to reduce visual clutter and effectively analyze high-dimensional noise distribution data. Our analysis uses quantum machine learning (QML) circuits as case study for drawing a distinction between noisy and less noisy basis states.

Senapati, Priyabrata [Kent State University]↗
DOE OSTI2024

Aridity and forest age mediate landscape scale patterns of tropical forest resistance to cyclonic storms

Abstract Cyclonic storms, or hurricanes, are expected to intensify as ocean heat energy rises due to climate change. Ecological theory suggests that tropical forest resistance to hurricanes should increase with forest age and wood density. However, most data on hurricane effects on tropical forests come from a limited number of well‐studied long‐term monitoring sites, restricting our capacity to evaluate the resistance of tropical forests to hurricanes across broad environmental gradients. In this study, we assessed whether forest age and aridity mediate the effects of hurricanes Irma and Maria in Puerto Rico, Vieques and Culebra islands. We leveraged functional trait data for 410 tree species, remotely sensed measurements of canopy height and cover, along with data on forest stand characteristics of 180 of 338 forest monitoring plots, each covering an area of 0.067 ha. The plots represent a broad mean annual precipitation (MAP) gradient from 701 to 4598 mm and a complex mosaic of forest age from 5 to around 85 years since deforestation. Hurricanes resulted in a 25% increase in basal area mortality rates, a 45% decrease in canopy height and a 21% reduction in canopy cover. These effects intensified with forest age, even after considering proximity to the hurricane path. The links between forest age and hurricane disturbances were likely due the prevalence of tall canopies. Tall forest canopies were strongly linked with low community‐weighted wood density (WD). These characteristics were on average more common in moist and wet forests (MAP >1250 mm). Conversely, dry forests were dominated by short species with high wood density (WD > 0.6 g cm −3 ) and did not show significant increases in basal area mortality rates after the hurricanes. Synthesis . Our findings show that selection towards drought‐tolerant traits across aridity gradients, such as short stature and dense wood, enhances resistance to hurricanes. However, forest age modulated responses to hurricanes, with older forests being less resistant across the islands. This evidence highlights the importance of considering the intricate links between ecological succession and plant function when forecasting tropical forests’ responses to increasingly strong hurricanes.

Vargas G., German↗
DOE OSTI2025

Seeing the forest for all the trees: Mycorrhizal‐associated nutrient economies are modulated by stem density and the synchrony between overstorey and understorey communities

1. Identifying relationships between plant communities and soil characteristics is a critical step in understanding the consequences of species gains and losses in ecosystems. The mycorrhizal associated nutrient economy (MANE) hypothesis predicts that the degree to which tree species and their mycorrhizal associates affect soil properties is driven by the relative dominance of different mycorrhizal types (often measured by relative basal area). While this approach emphasizes the importance of canopy trees, it does not account for how other factors (e.g. the density and composition of understorey trees) may alter tree–soil relationships. 2. We analysed tree–soil data from an eastern deciduous forest in southern Indiana, USA that contains >29,000 georeferenced stems, including 21 species that associate with arbuscular mycorrhizal (AM) fungi and 14 that associate with ectomycorrhizal (ECM) fungi. We sampled soils (upper 5 cm) from across the plot and modelled soil characteristics to tree communities. Given differences in soil characteristics among AM-dominated and ECM-dominated neighbourhoods, we hypothesized that relationships between tree-mycorrhizal dominance and soils would be affected by both the density of stems in the plot (owing to ‘Zinke’ individual plant effects) and composition of the understorey trees (owing to ‘trait divergence effects’) 3. In support of our Zinke hypothesis, we found that the relationships between tree-mycorrhizal dominance and soil variables (soil pH, nitrification rates and carbon to nitrogen ratio) were strengthened as stand density increased. In support of the trait divergence hypothesis, we found that as the mismatch between overstorey and understorey composition increased (e.g. AM-dominated understories beneath ECM-dominated overstories and vice versa), the relationship between tree dominance and soil variables weakened. We were able to use these insights to create mycorrhizal metrics to predict soil variables that were sensitive to the structural composition of neighbourhoods. 4. Synthesis. Our results indicate that relationships between plants and soils in forests are not only shaped by dominant overstorey trees but also the density and composition of understorey trees. Thus, efforts to predict the ecosystem consequences of species gains and losses may benefit from considering these elements of forest structure and not only the basal area of the dominant trees.

MANE framework↗
DOE OSTI2025

Aboveground Rather Than Belowground Productivity Drives Variability in Miscanthus × giganteus Net Primary Productivity

Quantifying the carbon (C) uptake of Miscanthus × giganteus ( M × g ) in both aboveground and belowground structures (e.g., net primary productivity (NPP)) and differences among methodological approaches is crucial. Our objectives were to directly measure Mxg NPP and evaluate the effects of nitrogen application, location, and belowground biomass sampling methods. We hypothesize that increased nitrogen application increases the overall NPP of M × g and that quantifying rhizome biomass using excavations will produce the lowest variability between replicates. We collected biomass from mature M × g stands from three locations in Iowa with three nitrogen application rates and one site in Illinois. We destructively sampled at two time points, when rhizome mass is anticipated to be at a minimum (initial) and anticipated to be at its maximum (peak). Biomass was collected from 1 × 1 m quadrats in which one in-clump and one beside-clump cores were collected and then excavated to 30 cm depth to extract all rhizomes. We found that aboveground M × g NPP ranged from 15.4 Mg DM ha –1 year –1 to 36.4 Mg DM ha –1 year–1 and belowground M × g NPP ranged from 4.4 Mg DM ha –1 year –1 to 19.6 Mg DM ha –1 year –1 . M × g NPP varied across sites, fertilization, and calculation assumptions. Aboveground NPP (yield) was on average 68.7% of the total NPP. Root-to-shoot ratios at peak biomass decreased with nitrogen application rate, from an average of 1.9 for 0 N plots to 0.89 for 224 N fertilized plots. There was more variation in core data than from excavations; however, when in-clump and beside-clump cores were averaged together, core and excavation averages were not different. Overall, these results show that the range of mature M × g NPP is driven by aboveground productivity, influenced by nitrogen application and site. Our results provide useful data to constrain agro-ecosystem models and provide crucial insights for future perennial belowground sampling.

Hartman, Theodore [Univ. of Illinois at Urbana-Cha↗
DOE OSTI2025

Identifying the Best High‐Biomass Sorghum Hybrids Based on Biomass Yield Potential and Feedstock Quality Affected by Nitrogen Fertility Management Under Various Environments

The growing interest in high-biomass sorghum ( Sorghum bicolor L. Moench), hereafter referred to as sorghum, as a bioenergy feedstock in the United States requires an understanding of geographical adaptation to identify the most suitable hybrids for the Midwest. In this study, 13 sorghum hybrids (H1–H13) were evaluated for biomass yield potential in central and southern IL over two growing seasons (2022 and 2023). In addition to biomass yield, the effects of nitrogen (N) fertilization on yield, nutrient removal (N, P, and K), and feedstock composition (cellulose, hemicellulose, lignin, and soluble fractions) were determined to identify the best-performing sorghum hybrid across environmental gradients. The experimental design was a split-plot arrangement within a randomized complete block design with four replications at each of two locations: N rates (0 and 112 kg-N ha −1 ) as a whole plot factor and 13 sorghum hybrids as a subplot factor. As a result, complex genotypes (13 hybrids) by environment (2 sites and 2 years) and management (2 N rates) interactions were observed in biomass yield. The best hybrids at both sites were H1 (ATx2932/F10702_PSL) and H13 (TX08001), which were very photoperiod sensitive (PS). These hybrids produced superior biomass yield, and they also exhibited less nutrient removal and high energy-rich feedstock compositions (cellulose, hemicellulose, and lignin). Biomass yield potential was associated with morphological and phenological traits according to environmental conditions. Low-yielding hybrids were short-stature (H5 and H6) with pollinators (F10801_PSL-3dw and F10805_PSL-3dw) that are recessive at the Dw3 locus. Moderate PS hybrids (H7, H8, H11, and H12) that produced grain panicles at harvest showed high biomass yield plasticity and excessive nutrient removal as they accumulated high K concentrations in biomass tissues and high N and P in grain panicles.

09 BIOMASS FUELS↗
DOE OSTI2025

Secondary corundum‐bearing assemblages in Allende Ca,Al‐rich inclusions: Mineralogy, petrology, oxygen, and aluminum–magnesium isotope systematics

Here, we report on the mineralogy, petrology, oxygen, and aluminum–magnesium isotopic systematics of the secondary corundum-bearing assemblages in type B CAIs 3529Z and 3529G and fluffy type A (FTA) CAI ALH-2 from Allende (CV > 3.6). In 3529Z and 3529G, 2–5 μm-sized euhedral-to-subhedral corundum grains associate with secondary alumoåkermanite [(Ca,Na) 2 AlSi 2 O 7 ], grossular, spinel, grossite, celsian, kushiroite, and wadalite. In ALH-2, 2–5 μm-sized euhedral-to-subhedral corundum grains associate with secondary grossular, nepheline, spinel, and kushiroite. In 3529Z and 3529G, corundum and associated secondary grossite, spinel, alumoåkermanite, grossular, and kushiroite have similar 16 O-poor compositions (Δ 17 O = −2.2 ± 1.5‰); primary spinel is 16 O-rich (Δ 17 O ~ −23‰); Al,Ti-diopside shows a range of Δ 17 O (from ~ −24‰ to ~ −15‰); anorthite and melilite are 16 O-depleted to various degrees (−6.5‰ ≤ Δ 17 O ≤ −4.5‰ and Δ 17 O = −2.7 ± 0.8‰, respectively). In ALH-2, corundum shows a range of Δ 17 O, from ~ −9‰ to ~ −1‰; primary hibonite and spinel are 16 O-rich (Δ 17 O ~ −23‰); melilite and perovskite are 16 O-poor (Δ 17 O = −2.6 ± 1.5‰ and −3.1 ± 1.3‰, respectively). On the Al-Mg isotope diagram ( 26 Mg* versus 27 Al/ 24 Mg), primary Al,Ti-diopside, hibonite, melilite, and spinel in the Allende CAIs studied along the canonical isochron with inferred initial 26 Al/ 27 Al ratio [( 26 Al/ 27 Al) 0 ] of ~5 × 10 −5 . All secondary minerals have resolved excesses of 26 Mg*: alumoåkermanite, corundum, and grossite plot below the canonical isochron, whereas most spinel analyses plot above it. An internal isochron defined by the coexisting secondary corundum and alumoåkermanite in 3529Z has ( 26 Al/ 27 Al) 0 = (7.5 ± 2.6) × 10 −7 . We conclude that the corundum-bearing assemblages in Allende CAIs resulted from metasomatic alteration of primary melilite and anorthite, ~4–5 Ma after their crystallization. Metasomatic alteration of CAIs in the Allende parent asteroid by an aqueous fluid having Δ 17 O of ~ −3 ± 2‰ modified the O-isotope composition of their primary melilite, anorthite, and Ti-rich pyroxene; O-isotope compositions of primary hibonite, spinel, and low-Ti pyroxene escaped this modification.

Geosciences↗
DOE OSTI2025

Machine-learning-enabled on-the-fly analysis of RHEED patterns during thin film deposition by molecular beam epitaxy

Thin film deposition is a fundamental technology for the discovery, optimization, and manufacturing of functional materials. Deposition by molecular beam epitaxy (MBE) typically employs reflection high-energy electron diffraction (RHEED) as a real-time in situ probe of the growing film. However, the state-of-the-art for RHEED analysis during deposition requires human observation. Here, we present an approach using machine learning (ML) methods to monitor, analyze, and interpret RHEED images on-the-fly during thin film deposition. In the analysis workflow, RHEED pattern images are collected at one frame per second and featurized using a pretrained deep convolutional neural network. The feature vectors are then statistically analyzed to identify changepoints; these changepoints can be related to changes in the deposition mode from initial film nucleation to a transition regime, smooth film deposition, and in some cases, an additional transition to a rough, islanded deposition regime. The feature vectors are additionally analyzed via graph analysis and community classification. The graph is quantified as a stabilization plot, and we show that inflection points in the stabilization plot correspond to changes in the growth regime. The full RHEED analysis workflow is termed RHAAPsody and includes data transfer and output to a visual dashboard. We demonstrate the functionality of RHAAPsody by analyzing the precaptured RHEED images from epitaxial depositions of anatase TiO2 on SrTiO3(001) and show that the analysis workflow can be executed in less than 1 s. Our approach shows promise as one component of ML-enabled real-time feedback control of the MBE deposition process.

36 MATERIALS SCIENCE↗
DOE OSTI2025

ggtaxplot v 0.0.1

ggtaxplot is an R package designed to process and visualize taxonomic data through a taxonomic river plot. This package is ideal for researchers and data scientists who need to visualize taxonomic data. ggtaxplot function processes data and generates a taxonomic river plot, allowing users to visualize the distribution of taxa across different samples.

Coclet, Clement [Lawrence Berkeley National Labora↗
DOE OSTI2026

Pumpchart v1.0.0

Pumpchart is a graphical tool that plots the state of a hydraulic system overlayed on a pump curve and system curve. It assists with determining the optimal performance of the system. One advantage of Pumpchart over other softwares is that it is integrated with the Grafana dashboarding software, so that data can be plotted in real-time for instant operator feedback. It is intended to be used at NERSC to monitor the performance of our cooling water pumps.

Venture, Nicholas [Lawrence Berkeley National Labo↗
DOE OSTI2026

GAT (Grid Analysis Toolkit) [SWR-25-41]

Grid Analysis Toolkit (GAT) is a unified Python API and plotting for power system PCM and CEM results (Sienna, PLEXOS, ReEDS™). It's a toolkit for wrangling data for Bulk Grid Dispatch and Transmission Analysis. GAT aims to provide simplified access to PCM and CEM results in a standard format while also allowing raw data access to underlying datasets specific to the model. This software can also be found on PyPI at For plotting, GAT defaults to standard National Lab of the Rockies (NLR) color schemes and standard styles while allowing customization.

Webb, Micah [National Laboratory of the Rockies (N↗
DOE OSTI2026

Data for "Plasmon-driven exciton formation in a non-equilibrium Fermi liquid"

This repository contains source data for key plots presented in the manuscript "Plasmon-driven exciton formation in a non-equilibrium Fermi liquid." Experimental data that was analyzed in Igor Pro 8 are presented as the .pxp files used to generate individual sub-plots. Electronic spectral function calculations are provided as .txt files, in which consecutive rows refer to the meshgrid x coordinate, y coordinate, spectral function (and, where relevant, axis-projected local angular momentum). We additionally include the Wannier model and DFT-obtained bulk band structure on which the Wannier model was based. Files are named as the number of the figure in the manuscript to which they correspond, with additional details included where necessary. Details of file names: 2a_DOS_Lxz_Ek_KGM_40layer_xnum_800kpt_tot.txt: Density of states, xz-axis projected local orbital angular momentum, for 800 points along the K-Gamma-M path, for a 40-layer model. 2c_composite_y.pxp: ARPES (angle-resolved photoemission spectroscopy) spectra along the ky axis, including both a scan near the Fermi level and a scan at high kinetic energies. 2d_LCP_RCP_diff_Sect_20K.pxp: difference between ARPES constant energy cuts at T=20 K at E0 + 0.23 eV taken with left- and right-circularly polarized photons. The polarization-integrated intensity at the constant energy cut is also included. 2e_DOS_L45_E11pt79_m0pt25to0pt25_xnum_800kpt_tot.txt: Density of states, xz-projected local orbital angular momentum, and corresponding k-points in two dimensions from ab-initio electronic structure calculations for a constant-energy cut. 3a_[x]_[y]ps: ARPES cut under excitation at a fluence of x uJ/cm2, measured y ps after photoexcitation. Measurements were performed at 9 K. 3b_[x]: Energy distribution curves under excitation at a fluence x uJ/cm2 at selected delay times after photoexcitation. 4a_ImSigma_vs_temperature.pxp: Imaginary self energy (extracted from ARPES linewidths) at different energies above E0 for selected lattice temperatures. 4b_EELS_lowE.pxp: Electron energy loss spectrum over a low energy range 5b_diff_55m15.pxp: Difference between momentum-integrated Tr-ARPES traces at 55 uJ/cm2 and 15 uJ/cm2 photoexcitation. Time-dependent intensity at each energy level has been normalized to a maximum of 1 for each individual fluence prior to subtraction. 5d_invtau_at_EX_vs_fluence.pxp: decay rate at a specified energy EX for different excitation fluences, from single exponential fits. NOTE: Analyses based on the Wannier model presented here should cite both the associated Article and this dataset. For all other files in the repository, citing the dataset alone is sufficient.

Acharya, Rishi [University of Illinois] (ORCID:000↗
DOE OSTI2026

Two-stage formation-energy correction (NbZr, TaZr, VZr)

This bundle contains the scripts, the raw and corrected per-structure data, and the manuscript plots for the NbZr / TaZr / VZr BCC binary formation energies and the associated RMSDs. Why a two-stage correction is necessary: The "raw" formation energy of every relaxed VASP configuration is computed in the usual way, FE_raw(c) = E_alloy(c) - sum_i x_i * E_pure_i , where E_pure_i are the per-atom total energies of the pure-element reference structures (Nb, Ta, V, Zr in the same BCC supercell, with identical INCAR / KPOINTS / PAW choices). With perfectly consistent reference runs the raw FE should vanish at the two pure-element endpoints (x = 0 and x = 1) by construction. In practice this does not hold for two reasons that are present in our dataset: 1. Reference-energy inconsistency (composition-dependent bias). Even with identical input parameters, the pure-element runs (stored in `corrected_DFT_pure_element_runs/`) differ slightly from the values that would be implied by the alloy runs at near-pure compositions (a few meV/atom). This bias is approximately linear in concentration, because the residual error in E_pure_Nb (or E_pure_Ta / E_pure_V) propagates into FE_raw(c) as (1 - x) * dE_pure_1, and the corresponding error in E_pure_Zr propagates as x * dE_pure_2. Left uncorrected, this produces a non-physical "tilt" of FE_raw(x) and shifts the entire FE-vs-x cloud away from zero at the endpoints. 2. Endpoint anchoring against the audited true endpoints. The strict endpoint values (FE_x0_meVatom, FE_x1_meVatom in `corrected_fe_strict_endpoints_20260518/strict_endpoint_check_20260518.csv`) were re-derived from an independent cross-check of the pure-element runs. After stage 1 removes the linear bias, the near-pure compositions in the alloy dataset still extrapolate to values that differ slightly from these audited endpoints — because stage 1 is fit from a few near-end alloy bins, not from the audited pure-element references themselves. The README.txt file discusses how these issues are addressed by the two-stage correction, and describes folder layout, pipeline summary, and how to re-run.

36 MATERIALS SCIENCE↗
DOE OSTI2025

CO2 and CH4 leaf-level fluxes and soil porewater concentrations from common vegetation patches in Louisiana’s coastal wetlands

This dataset contains leaf-level flux and soil porewater concentration measurements of carbon dioxide (CO2) and methane (CH4 ) in plots in the footprint of Ameriflux sites US-LA2 and US-LA3. Leaf fluxes in US-LA2 were measured on patches dominated by Sagittaria lancifolia and co-dominated by Sagittaria lancifolia and Typha latifolia. In US-LA3, fluxes were measured from distinct Juncus roemerianus and Spartina alterniflora patches. The porewater concentrations were collected across a vertical profile (~50 cm depth) at centric locations within 25 m2 plots where we measured the leaf fluxes. US-LA3 included an additional set of measurements in open water spots. We aimed to evaluate differences in leaf fluxes and porewater pools of CO2 and CH4 of representative ecohydrological patches across a salinity gradient. We also used this dataset to help develop ELM-Wet, a more realistic representation of wetland carbon biogeochemical processes within the U.S. Department of Energy’s Energy Exascale Earth System Model (E3SM) Land Model version 1 (ELM v.1). The files can be opened with regular text editors or spreadsheet programs. Version 2.0 (8/26/2025): This is the latest version of this dataset. The update includes additional samples of soil porewater CH4/CO2 concentrations from June-2021 to November-2022, as well as minor adjustments made to V1 samples via changing Henry's solubility to account for porewater salinity. Additionally leaf-level measurments of spectral indices, PSRI, NDVI, and PRI have been added to complement Leaf-level flux measurements. All V1 data sets have been integrated into V2 sheets, ensuring data from the previous version is contained with the additional samples and consistent with V2 metadata.

54 ENVIRONMENTAL SCIENCES↗