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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Subsets of geostationary satellite data over international observing network sites for studying the diurnal dynamics of energy, carbon, and water cycles

The latest generation of geostationary satellites provide Earth observations similar to widely used polar-orbiting sensors but at intervals as frequently as every 5–10 min, making them ideal for studying the diurnal dynamics of land–atmosphere interactions. The NASA Earth Exchange (NEX) group created the GeoNEX datasets by collating data from several geostationary platforms, including GOES-16/17/18, Himawari-8/9, and GK-2A, and placing them on a common grid to facilitate use by the Earth science community. Here, we document the GeoNEX Coincident Ground Observations (GeCGO) dataset for terrestrial ecosystem studies and provide examples for its use. Currently, GeCGO provides GOES-16 Advanced Baseline Imager (ABI) data over a 10 km × 10 km area surrounding 1586 network sites across the Americas. GeCGO makes it easy to compare the time series of geostationary data with the diurnal ground observations, including carbon/water fluxes and aerosol optical depth, and is extensible to other regions. We also develop GeoNEXTools to facilitate analyses that require both GeoNEX data and other NASA satellite data. The objectives of this paper are to introduce GeCGO and GeoNEXTools and demonstrate their applications. First, we describe the details of GeCGO and GeoNEXTools. Second, we explain how GeCGO can be integrated with other satellite data. Finally, we showcase comparisons between GeCGO and observations from three ground-based networks. GeCGO is available at https://doi.org/10.25966/y5pe-xp41 (Hashimoto et al., 2025).

Hashimoto, Hirofumi [NASA Ames Research Center (AR↗
DOE OSTI2025

Measurements of the temperature and $E$-mode polarization of the cosmic microwave background from the full 500-square-degree SPTpol dataset

Using the full four-year SPTpol 500 deg 2 dataset in both the 95 and 150 GHz frequency bands, we present measurements of the temperature and E-mode polarization of the cosmic microwave background (CMB), as well as the E-mode polarization autopower spectrum (EE) and temperature-E-mode cross-power spectrum (TE) in the angular multipole range 50 < ℓ < 8000. We find the SPTpol dataset to be self-consistent, passing several internal consistency tests based on maps, frequency bands, bandpowers, and cosmological parameters. The full SPTpol dataset is well-fit by the ΛCDM model, for which we find H 0 = 70.48 ± 2.16 km s -1 Mpc -1 and Ω m = 0.271 ± 0.026, when using only the SPTpol data and a Planck-based prior on the optical depth to reionization. The ΛCDM parameter constraints are consistent across the 95 GHz-only, 150 GHz-only, TE-only, and EE-only data splits. Between the ℓ < 1000 and ℓ > 1000 data splits, the ΛCDM parameter constraints are borderline consistent at the ∼2σ level. This consistency improves when including a parameter A L , the degree of lensing of the CMB inferred from the smearing of acoustic peaks. When marginalized over A L , the ΛCDM parameter constraints from SPTpol are consistent with those from Planck. In conclusion, the power spectra presented here are the most sensitive measurements of the lensed CMB damping tail to date for roughly ℓ > 1700 in TE and ℓ > 2000 in EE.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

A Deep Multimodal Representation Learning Framework for Accurate Molecular Properties Prediction

Drug discovery is a complex and challenging process, requiring the optimization of candidate compounds to identify those with the potential to become safe and effective drugs. Predicting molecular properties is an indispensable step in the drug discovery pipeline. Traditionally, this process is costly and time-intensive, involving multiple rounds of experiments and clinical trials, rendering it impractical for every candidate compound. Deep learning techniques have emerged as a promising approach to drug discovery to reduce the cost and time required to identify novel drugs. However, prevalent research in deep learning models focused on predicting molecular properties has primarily fixated on single-modal models, which utilize a single modality of data, neglecting the potential benefits of combining different data modalities. To overcome this limitation, we introduce MRL-Mol: a deep \textbf{M}ultimodal \textbf{R}epresentation \textbf{L}earning framework for accurate \textbf{Mol}ecular properties prediction. MRL-Mol harnesses three data modalities: sequence, graph, and image, augmenting the depth of comprehension. Leveraging a large-scale unlabeled dataset~($\sim$1M unique molecules), we pretrain MRL-Mol to extract inter- and intra-modal information. Our study demonstrates the superior performance of MRL-Mol in predicting molecular properties across six benchmark datasets, including both classification and regression tasks. Notably, MRL-Mol outperforms other state-of-the-art molecular properties prediction models. These findings suggest that by combining information from multiple data modalities, MRL-Mol can comprehend molecules better than single-modal deep learning models and identify molecular properties with better accuracy.

Yang, Yuxin↗
DOE OSTI2021

INGENIOUS Thermal Conductivity Measurement Source Categorization

Thermal conductivity (TC) data taken for different wells at a specified drill depth. This is an abridged version of the complete SMU heat flow database, downloaded from the SMU node of the NGDS at the beginning of INGENIOUS (approximately April 2021), and filtered to the INGENIOUS study area. This National Geothermal Data System (NGDS) project aggregates geothermal data collected and curated by the SMU Geothermal Laboratory and its partner organizations. All columns in this database are the same as the SMU database, except for 2 additions associated with this project. Repeated columns are for data correlation purposes. Column descriptions and data types are the same as previous iterations of the SMU database. The new values that are the addition are two new columns developed as part of the INGENIOUS project: INGENIOUS TC Value | INGENIOUS notes INGENIOUS notes are individual notes that were written for specific data points during the analysis process. There are not always notes associated with each input value. INGENIOUS TC Value includes 4 values: 1. Assumed Measured These are values that are assumed to be measured thermal conductivity values, either within a specific well or within the same study region. Many of these have either a published reference, a reported standard deviation, or a unique thermal conductivity value. 2. Data release - assumed measured These are values in the SMU database that are from proprietary data that were added to the SMU database and are labeled as data release for their reference. These values were searched for in person at the SMU Geothermal Laboratory as well as virtual examination of data available on the NGDS. For many of these, there are reported thermal conductivity values associated with the heat flow data in the database, but no specific table or reference to measurements in the original data release files. 3. Known measured These are values that have a reported measurement, either as an original file in the SMU data files on the NGDS or a reported table in a publication. In the rare circumstances, Maria Richards or David Blackwell confirmed measurement. Confirmation of measurement would be written in the INGENIOUS notes column. 4. Unmeasured Unmeasured values are those that are known to be unmeasured, either estimated from another report or no information given. In the SMU database, there are wells that have a heat flow but no thermal conductivity. These are categorized as unmeasured. There are also heat flow values that are stated to have estimated or generalized average thermal conductivity values for the region and rock type. Because these are known to be unmeasured, they are categorized as such. 5. Blank Blank values are either A quality or X quality. These quality values are stated in the INGENIOUS notes. These values were not going to change associated with the heat flow analysis, so these were not examined.

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

Stronger Tropical Cyclone–Induced Ocean Cooling in Near-Coastal Regions Compared to the Open Ocean

Abstract Tropical cyclones (TC) often induce strong mixing in the upper ocean that generates a trail of cooler sea surface temperature (Twake) in their wakes. The Twake can affect TC intensity, so its prediction is important, especially in coastal regions where TCs can make landfall. Coastal Twakes are often more complex than those in the open ocean due to the influences of coastline geometry, highly variable water depth, continental runoff, and shelf processes. Using observational data since 2002, here we show a significantly stronger global mean Twake in coastal regions compared to offshore regions. Temperature stratification is the main driver of stronger coastal Twakes in the North Atlantic and east Pacific. In the northwest Pacific and north Indian Ocean, the differences between coastal and offshore Twakes are smaller due to compensation between TC forcings and ocean stratification. The north Indian Ocean is unique in the Northern Hemisphere because salinity stratification plays a major role on the spatial distribution of Twake. In the South Pacific Ocean, TC intensity and translation speed are crucial for explaining coastal–offshore Twake differences, while ocean stratification and mixed layer depth are more important for the coastal–offshore Twake differences in the south Indian Ocean. These findings suggest that coastal–offshore differences in ocean stratification need to be properly represented in models in order to capture changes in TC-induced ocean cooling as storms approach landfall. Significance Statement Landfalling tropical cyclones (TCs) often cause considerable damage in coastal regions with dense human populations. Understanding TC–ocean interaction and how it differs between coastal and offshore regions can help predict TC intensity prior to landfall. Sea surface cooling after TC passage is an important proxy for TC–ocean interaction. A global evaluation of coastal TC-induced cooling has not been conducted. Using data covering two decades, we show significantly stronger TC-induced surface cooling in coastal regions compared to offshore regions at the global scale and in all basins except the northwest Pacific and north Indian Ocean. The difference is driven mainly by upper-ocean conditions in the North Atlantic, east Pacific, and south Indian Ocean, and by TC characteristics in the South Pacific.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Moderate spectral resolution solar irradiance measurements, aerosol optical depth, and solar transmission, from 360 to 1070 nm, using the refurbished rotating shadow band spectroradiometer (RSS)

Abstract. This paper reports on a third-generation rotating shadow band spectroradiometer (RSS) used to measure global and diffuse horizontal plus direct normal irradiances and transmissions at 1002 wavelengths between 360 and 1070 nm. The prism-dispersed spectral data are from the Atmospheric Radiation Measurement (ARM) Southern Great Plains site in north-central Oklahoma (36.605∘ N, 97.486∘ W) and cover dates between August 2009 and February 2014. The refurbished RSS isolates the detector in a vacuum chamber with pressures near 10−7 torr. This prevents the deposition of outgassed vapors from the interior of the spectrometer shell on the cooled detector that affected the operation of the first commercial RSS. Methods for (1) ensuring the correct wavelength registration of the data and (2) deriving extraterrestrial responses over the entire spectrum, including throughout strong water vapor and oxygen bands, are described. The resulting data produced are archived as ARM data records and include cloud-screened aerosol optical depths, spectral irradiances and direct normal solar transmission, as well as normalized diffuse and global irradiances.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Utah FORGE: Well 16B(78)-32 DTS, RFS DSS Strain, and Absolute Strain Circulation Test Fiber Optic Data - August 2024

This dataset contains processed fiber optic measurements collected during the extended cross-well circulation test at the Utah FORGE site in August 2024. The data was acquired from the 16B(78)-32 well using distributed fiber optic sensing (DFOS) technology, including distributed temperature sensing (DTS) on multimode fiber and distributed strain sensing (DSS) measurements on single-mode fiber. The dataset includes Brillouin absolute strain, Rayleigh frequency shift (RFS) DSS strain change, RFS DSS strain change rate, and temperature (DTS) data, all stored in HDF5 format. Time coordinates are provided in UTC, and depth measurements are given in measured depth relative to the rotary kelly bushing (MD RKB) in feet. The spatial sampling on the RFS DSS strain data and the Brillouin Absolute Total Strain data is 20 cm and the spatial sampling on the DTS data is 1m. The dataset is accompanied by a report from Neubrex, which provides further documentation.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

General Analysis of Data Collected from DOE Lidar Buoy Deployments Off Virginia and New Jersey

Pacific Northwest National Laboratory (PNNL) operates two AXYS WindSentinel lidar buoys for the U.S. Department of Energy’s Wind Energy Technologies. The purpose of these buoys is to collect hub-height winds and supporting meteorological and oceanographic information to facilitate the development of offshore wind energy in the U.S. In general, each buoy is deployed for a year or more at a given location in order to capture at least a full annual cycle of weather conditions. The initial deployment for one buoy was off the coast of Virginia beginning in 2015, and the other buoy was first deployed off the coast of New Jersey beginning in 2016. Over the last two years, PNNL has had an opportunity to analyze the data collected during these first two deployments. This report describes a substantial analysis of data collected by the two lidar buoys operated off the coasts of Virginia and New Jersey. The centerpiece instrument for each buoy as deployed off Virginia and New Jersey is a lidar system, which is designed to measure the horizontal wind vector from approximately 40 m to 200 m above the sea surface with vertical resolution of 40 m. Since the initial deployments, the original lidars have been replaced with more powerful Leosphere 866 v2 systems. The analyses in this report will apply to the original Vindicator systems. In addition to the wind profiles from the lidars, the buoys collect near-surface measurements of wind speed and direction, air temperature, relative humidity, barometric pressure, and solar irradiance. Oceanographic variables measured include the two-dimensional wave spectrum, water temperature and conductivity, and ocean current vectors to a depth of 90 m. An assessment of overall data recovery and a basic analysis of the data collected was provided in a previous report This report substantially extends that analysis. The various sections describe the development and application of an inertial measurement unit (IMU) data recovery scheme for the New Jersey deployment; a climatological analysis of winds at hub height and at the surface together with thermodynamic variables measured at the surface for the full deployment periods; an analysis of oceanographic observations describe sea state; the development of a refinement for NOAA’s WaveWatch III model to allow its application to near-shore areas; a basic climatology of ocean currents observed from the buoys; an analysis of observed winds in the framework of Monin-Obukhov Similarity Theory; and the development and evaluation of techniques to extract turbulence intensity and turbulence kinetic energy from the lidars. The analyses contained in this report provide a great deal of new information about offshore conditions on the U.S. East Coast. In addition, the experience gained will inform both configurations and analysis of data from future deployments of these lidar buoy systems.

17 WIND ENERGY↗
DOE OSTI2023

Willingness to Receive mHealth Services Among Patients with Diabetes on Chronic Follow-up in Public Hospitals in Eastern Ethiopia: Multicenter Mixed-Method Study

Background: Management of diabetes requires a long-term care strategy, including support for adherence to a healthy lifestyle and treatment. Exploring the willingness of patients with diabetes to receive mHealth services is essential for designing efficient and effective services. This study aimedto determine willingness to receive mHealth services and associated factors, as well as explore the barriers to receive mHealth services among patients with diabetes. Methods: A multicenter mixed-method study was employed from September 1 to November 30, 2022. For the quantitative part, a total of 365 patients with diabetes receiving chronic follow-up at three public hospitals were enrolled. Data were gathered using structured questionnaires administered by interviewers, entered into Epi-data version 4.6, and analyzed using Stata version 17. A binary and multivariable logistic regression model was computed to identify the associated factors. For qualitative, eight key informants and seven in-depth interviews were conducted. After verbatim transcription and translation, the data were thematically analyzed using ATLAS.ti V. 7.5. Results: Overall, 77.3% had access to a mobile phone, and 74.5% of them were willing to receive mHealth services. Higher odds of willingness to receive mHealth services were reported among patients with an age below 35 years [AOR = 4.11 (1.15– 14.71)], attended formal education [AOR = 2.63 (1.19– 5.77)], without comorbidity [AOR = 3.6 (1.54– 8.41)], < 1-hour travel to reach a health facility [AOR = 3.57 (1.03– 12.36)], answered unknown calls [AOR = 2.3 (1.04– 5.13)], and were satisfied with health-care provider service [AOR = 2.44 (1.04– 5.72)]. In the qualitative part, infrastructure, health facilities, socioeconomic factors, and patients’ behavioral factors were major identified barriers to receiving mHealth services. Conclusion: In this study, the willingness to receive mHealth services for those who have access to mobile phones increased. Additionally, the study highlighted common barriers to receiving mHealth services.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Generalized Quantum Convolution for Multidimensional Data

The convolution operation plays a vital role in a wide range of critical algorithms across various domains, such as digital image processing, convolutional neural networks, and quantum machine learning. In existing implementations, particularly in quantum neural networks, convolution operations are usually approximated by the application of filters with data strides that are equal to the filter window sizes. One challenge with these implementations is preserving the spatial and temporal localities of the input features, specifically for data with higher dimensions. In addition, the deep circuits required to perform quantum convolution with a unity stride, especially for multidimensional data, increase the risk of violating decoherence constraints. In this work, we propose depth-optimized circuits for performing generalized multidimensional quantum convolution operations with unity stride targeting applications that process data with high dimensions, such as hyperspectral imagery and remote sensing. We experimentally evaluate and demonstrate the applicability of the proposed techniques by using real-world, high-resolution, multidimensional image data on a state-of-the-art quantum simulator from IBM Quantum.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

miniDOT Logger Dissolved Oxygen and Temperature Data of Wetland Surface Water, Old Woman Creek NERR, Huron, OH, 2022-06-15 to 2023-12-15

This dataset contains timeseries data of dissolved oxygen (DO) and temperature measurements of the surface water in a wetland at Old Woman Creek Estuarine Research Reserve in Huron, OH. Dissolved oxygen and temperature measurements were made in the overlying water column of wetland to assess how oxygen changed over time with hydrological events. Measurements were collected by a miniDOT Logger. Data was collected over 1.5 years (June 2022 to December 2023). The miniDOT_DO_Temp_DataFile.csv contains the DO and temperature measurements that were collected every 10 minutes. The water levels of the site varied over-time as the wetland flooded and dried. So, sometimes the miniDOT logger would be out of the water column, resulting in high oxygen levels. Depth of the water column was recorded at every in-person site visit. The miniDOT_Depth_DataFile.csv contains the hand-measured surface water depth measurements for comparison to the logger-collected data. Information on the deployment and measurement methods can be found in the miniDOT_InstallationMethods.csv file.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

PW2 Pumping: March 18 thru March 22, 2020

Processed Coherence-length-gated Microwave Photonics Interferometry (CMPI) distributed vertical strain on March 18 through March 22, 2020 at the hydromechanical test facility located at the Clemson University Simpson Station research facility in Central, South Carolina, USA. This includes ambient data in addition to a pumping test performed between 14:31-20:31 EST on 3/22/2020 from Pumping Well 2 (PW2). These data are from a strain ribbon that was deployed in the vadose zone at approximately 34.670130°N, -82.729524°E from the ground surface to a depth of 8m in saprolite containing weak reflectors pairs were placed every 0.85 m along the fiber. Each weak reflector pair forms a 15 cm cavity strain meter. Strain unit: meters/meter (strain). Sampling rate 0.1 Hz. Each column corresponds to the strain data taken at a depth d from the ground surface. c1: d = 1.00m c2: d = 1.85m c3: d = 2.70m c4: d = 3.55m (large demodulation error) c5: d = 4.40m c6: d = 5.25m c7: d = 6.10m (large demodulation error) c8: d = 6.95m

Distributed Strain Sensing↗
DOE OSTI2024

Soil properties and root characteristics across four lowland Panamanian forests from 0 - 1 m soil depths

Objectives:Fine roots significantly influence ecosystem-scale cycling of nutrients, carbon (C), and water, yet there is limited understanding of how fine root traits vary across and within tropical forests, some of Earth's most C-rich ecosystems. The biomass of fine roots can impact soil carbon storage, as root mortality is a primary source of new carbon to soils. A positive relationship has been observed between fine root biomass and soil carbon stocks in Panama (Cusack et al 2018). Beyond biomass, root characteristics like specific root length (SRL) could also influence soil carbon, as roots with higher SRL are less dense and thinner, potentially decomposing more easily or promoting soil aggregation. Understanding the effects of root morphology and tissue quality on soil carbon storage and with soil properties in general can improve predictions of landscape-scale carbon patterns. We aggregated new data of root biomass, morphology and nutrient content at 0-10 cm, 10-20 cm, 20-50 cm and 50-100 cm depth increments across four distinct lowland Panamanian forests and paired with already published datasets (Cusack et al 2018; Cusack and Turner 2020) of soil chemistry from the same sites and soil depths to explore relationship between soil carbon stocks and root characteristics.Datasets included:The datasets provided include .csv and .xlsx files for fine root characteristics and soil chemistry from four different forests across 0-10 cm, 10-20 cm, 20-50 cm, and 50-100 cm depth increments. Root characteristics include live fine root biomass, dead fine root biomass, coarse root biomass, specific root length, root diameter, root tissue density, specific root area, root %N, root %C, and root C/N ratio. Soil chemistry data includes total carbon (TC), dissolved organic carbon (DOC), bulk density, total phosphorus (TP), available phosphorus (AEM Pi), and various Mehlich-extractable elements such as aluminum, calcium, iron, potassium, manganese, phosphorus, and zinc. Nitrogen content measures include ammonium, nitrate, total dissolved nitrogen (TDN), dissolved inorganic nitrogen (DIN), and dissolved organic nitrogen (DON). The dataset also includes total exchangeable bases (TEB) and effective cation exchange capacity (ECEC) in both centimoles of charge per kilogram and micromoles of charge per gram. The soil chemistry data was obtained from Cusack et al (2018) and Cusack and Turner (2020) and paired with root characteristics data for the same depth increments and sites. Additionally, a .kml file is provided with coordinates for all 32 plots included in the study across four forests (n = 8 plots per site). Root data was averaged across these 8 plots per site and soil data was collected in one pit in each site. This dataset serves as baseline data before a throughfall exclusion experiment, Panama Rainforest Changes with Experimental Drying (PARCHED), was implemented. No special software is needed to open these files.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Meteoric 10Be Flux Calibration Data for the East River Watershed, Colorado, USA

This data package contains tabular and geospatial data used to quantify and model meteoric beryllium-10 fluxes in the East River watershed, Colorado, USA. The tabular component includes calibration-site data from five glacial moraine sites and includes environmental variables used to evaluate spatial controls on meteoric 10Be delivery, including elevation, mean annual precipitation (MAP), mean snow depth, and mean snow water equivalent (SWE). These site-level data were used to compare observed fluxes with environmental gradients across the watershed and to evaluate the effects of erosion correction on flux estimates. The package also includes supporting slope and curvature values used to assess topographic inputs to the erosion analysis. A second component of the data package contains updated manuscript tables and regression outputs used to summarize the relationships between meteoric 10Be flux and environmental predictors. These tables include meteoric 10Be sample information and AMS results, site-level environmental values, site-level meteoric 10Be inventory and flux values, watershed-averaged predicted fluxes, soil bulk density measurements, fine-fraction values, soil pH measurements, and regression statistics including slope, intercept, coefficient of determination, and p-value. The regression products include both standard linear regressions and regressions in which the intercept is constrained to pass through zero, and they support the analyses presented in the companion manuscript. Together, these tabular files provide the numerical basis for the manuscript tables and the regression-based interpretation of meteoric 10Be flux variability in a snow-dominated mountain watershed. The geospatial component of the package consists of GeoTIFF raster files used to generate the map products presented in Figures 2 and 6 of the companion manuscript. These rasters represent watershed-scale spatial layers for environmental variables and regression-based predictions of meteoric 10Be flux. This dataset contains comma-separated values files (.csv), Microsoft Excel files (.xlsx), GeoTIFF raster files (.tif), and upporting metadata files, including CSV data dictionaries and readme text files (.csv, .txt). The tabular files can be opened with standard spreadsheet software, and the raster files can be viewed and analyzed in GIS software such as ArcGIS Pro or QGIS. Together, these files document the numerical and spatial datasets used to calibrate and predict meteoric 10Be delivery in the East River watershed.

East River↗
DOE OSTI2022

Machine Learning Modeling for Accelerated Battery Materials Design in the Small Data Regime

Abstract Machine learning (ML)‐based approaches to battery design are relatively new but demonstrate significant promise for accelerating the timeline for new materials discovery, process optimization, and cell lifetime prediction. Battery modeling represents an interesting and unconventional application area for ML, as datasets are often small but some degree of physical understanding of the underlying processes may exist. This review article provides discussion and analysis of several important and increasingly common questions: how ML‐based battery modeling works, how much data are required, how to judge model performance, and recommendations for building models in the small data regime. This article begins with an introduction to ML in general, highlighting several important concepts for small data applications. Previous ionic conductivity modeling efforts are discussed in depth as a case study to illustrate these modeling concepts. Finally, an overview of modeling efforts in major areas of battery design is provided and several areas for promising future efforts are identified, within the context of typical small data constraints.

Sendek, Austin D.↗
DOE OSTI2024

Representing cropping systems with the MEMS 2 ecosystem model

Abstract Croplands have been the focus of substantial investigation due to their considerable potential for sequestering carbon. Understanding the potential for soil organic carbon (SOC) sequestration and necessary management strategies will be enabled with accurate process‐based models. Accurately representing crop growth and agricultural practices will be critical for realistic SOC modeling. The MEMS 2 model incorporates a current understanding of SOC formation and stabilization, measurable SOC pools, and deep SOC dynamics and is seen as a highly promising tool to inform management intervention for SOC sequestration. Thus far, MEMS 2 has been developed to represent grasslands. In this study, we further developed MEMS 2 to model annual grain crops and common agricultural practices, such as irrigation, fertilization, harvesting, and tillage. Using four Ameriflux sites, we demonstrated an accurate simulation of crop growth and development. Model performance was strong for simulating aboveground biomass (index of agreement [d] range of 0.89–0.98) and green leaf area index (dfrom 0.90 to 0.96) across corn, soybean, and winter wheat. Good agreement with observations was also achieved for net ecosystem CO 2 exchange (dfrom 0.90 to 0.96), evapotranspiration (dfrom 0.91 to 0.94), and soil temperature (dof 0.96), while discrepancy with the available soil water content data remain (dfrom 0.14 to 0.81 at four depths to 100 cm). While we will continue model testing and improvement, MEMS 2 (version 2.14) has now demonstrated its ability to effectively simulate the growth of common grain crops and practices.

Agriculture↗
DOE OSTI2024

A preliminary investigation into the feasibility of laser ablation U–Pb isotope ratio measurement via all‐faraday cup detection with 10 11 ‐ and 10 13 ‐Ω amplifiers on the Neoma multicollector‐inductively coupled plasma‐mass spectrometer

Rationale Signal detection for uranium–lead (U–Pb) dating of zircon is typically performed via ion counters. Here, we develop a preliminary understanding of the strengths and limitations of faraday‐cup‐based detection. Methods A suite of zircon reference materials and the NIST‐610 glass were sampled using laser ablation followed by U–Pb isotope ratio measurement on a Neoma multicollector‐inductively coupled plasma‐mass spectrometer. Results We were able to produce geologically accurate 207 Pb/ 206 Pb, 206 Pb/ 238 U, and 207 Pb/ 235 U ratios for the NIST‐610 glass and the zircon standards, with ages ranging from ~2.5 Ga to ~337 Ma (TanBrown A, Oracle, 91550, Mud Tank, Temora, and Plešovice). Two of the younger zircon standards examined (94‐35, ~55.6 Ma, and Fish Canyon, 28.6 Ma) yielded accurate 206 Pb/ 238 U but not 207 Pb/ 235 U or 207 Pb/ 206 Pb ratios, whereas the youngest zircon standard (Penglai, ~4.4 Ma) failed for all three ratios of interest. The accuracy and precision of the all‐faraday method are directly tied to signal intensity, with reliable data capable of being produced even when both isotopes in a ratio have signals below ~0.001 V (equivalent to ~62 500 cps on an ion counter). Conclusion The all‐faraday cup multicollection method provides sufficient sensitivity to obtain geologically meaningful U–Pb data, with possible advantages being that laser pit depth‐dependent changes in the observed interelemental fractionation behavior may be easier to correct using a static collector configuration compared to when the ion beam is swept across a single detector while also removing the need for an interdetector‐type calibration. Further work is needed to refine the all‐faraday cup method (e.g., application of background subtraction and common Pb corrections, outlier removal, and interelement as well as down‐hole fractionation corrections), but our initial results demonstrate that the faraday detector method has sufficient sensitivity to warrant further study.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Pt-Assisted Carbon Remediation of Mo2C Materials for CO Disproportionation

Using the CO disproportionation (Boudouard) reaction as a probe reaction, an in-depth analysis of temperature-programmed pulse response data shows that the addition of Pt to Mo2C mitigates deactivation of Mo active sites by acting as a carbon collector. CO2 production on Mo2C and Pt/Mo2C materials is dependent on both the activation energy and the CO surface concentration. Detailed plane-wave density functional theory calculations of the CO adsorption and disproportion reactions on Mo2C-supported Pt nanoparticles (NPs) are reported. The Mo2C was modeled by the ß-Mo2C (100) surface, and the Pt/Mo2C interface was modeled by the addition of 12 Pt atoms to the Mo2C (100) surface (12Pt@Mo2C). The potential energy surfaces of the Boudouard reaction were calculated on pure Mo2C, 12Pt@Mo2C, and Pt (111) surfaces. CO dissociation readily occurs on the Mo2C (100) surface, but not on the Pt (111) surface, with the former being exothermic and the latter being endothermic. At the Pt/Mo2C interface, CO dissociation is still exothermic, but with a larger energy barrier. The Boudouard reaction takes place on the Mo2C region, where CO2 is formed from a surface O atom dissociated from one CO molecule in reaction with another CO molecule, leaving one C atom on the surface. C adsorption is preferential on the Pt site in comparison to the Mo site. The supported Pt domains can collect the remaining C atoms, facilitating further CO2 formation on the active Mo sites. A Bader charge analysis shows that the surface metal-carbon bond is a mixture of covalent and ionic bonds, whereas the surface metal-oxygen bond is ionic. Electron localization function (ELF) and partial charge density calculations agree well with the Bader charge analysis. These computational results are consistent with experimental observations of the interaction of CO with Mo2C nanotube supported Pt domains in the transient regime under far from equilibrium conditions. The Boudouard reaction is an important side reaction, and the unexpected role found for Pt as a carbon collector, with Mo serving as a disproportionation site, provides a unique vantage point for understanding carbon and coke formation on catalytic materials.

Pt-assisted carbon remediation, Pt/Mo2C interface,↗