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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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All sourcesNASA NTRSDOE OSTI
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 OSTI2014

Depth of maximum of air-shower profiles at the Pierre Auger Observatory. II. Composition implications

Using the data taken at the Pierre Auger Observatory between December 2004 and December 2012, we have examined the implications of the distributions of depths of atmospheric shower maximum (Xmax), using a hybrid technique, for composition and hadronic interaction models. We do this by fitting the distributions with predictions from a variety of hadronic interaction models for variations in the composition of the primary cosmic rays and examining the quality of the fit. Regardless of what interaction model is assumed, we find that our data are not well described by a mix of protons and iron nuclei over most of the energy range. Acceptable fits can be obtained when intermediate masses are included, and when this is done consistent results for the proton and iron-nuclei contributions can be found using the available models. We observe a strong energy dependence of the resulting proton fractions, and find no support from any of the models for a significant contribution from iron nuclei. However, we also observe a significant disagreement between the models with respect to the relative contributions of the intermediate components.

79 ASTRONOMY AND ASTROPHYSICS↗
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 OSTI2017

Roadmap for the Application of Ion Beam Technologies to Challenges for the Advancement and Implementation of Nuclear Energy Technologies

The use of ion beams in interrogating materials performance for nuclear energy applications is advancing at a rapid rate. Ion irradiations have been proven to produce radiation effects data that are of direct relevance for understanding neutron-induced displacement damage. This development reflects significant and continued investment in infrastructure by the U.S. Department of Energy (DOE) as well as support of science and engineering research at universities and national laboratories. Application of ion beam irradiation methods to enhance the deployment of materials in reactors is in the spirit of the Gateway for Accelerated Innovation in Nuclear (GAIN) initiative sponsored by DOE to accelerate the deployment of innovation in the U.S. nuclear industry. Ion beam irradiation shows considerable promise for assisting in down selecting candidate materials for use in both current and advanced nuclear energy systems. Ion beams allow rapid achievement of materials damage levels not accessible by neutron irradiation in test reactors due to cost and time constraints. Ion beam studies provide data on the effects of irradiation under very specific conditions of temperature, radiation dose, and radiation dose rate that are difficult or impossible to achieve via reactor irradiation experiments. This data can be used to develop and validate detailed predictive radiation effects models for use in reactor materials research and development. Despite the current high state of the art and the maturity of quality assurance, there are still challenges to the deployment of ion beam data in support of reactor materials qualification. For the most part, these challenges arise from the lack of a detailed mechanistic understanding of potential difference between ion induced and neutron induced materials damage, which is exacerbated by difficulties in obtaining bulk physical and mechanical properties data from the micron-scale heavy ion irradiation depths. In particular, improved understanding of dose rate effects, as a function of temperature, are needed. This document offers a roadmap for the development and enhancement of current U.S. ion beam irradiation technologies within university and national laboratory settings, and especially for the deployment of new highly controlled in situ interrogation of materials during irradiation to provide dynamic and mechanistic data for model development. The status and capabilities of relevant U.S. ion beam facilities are summarized and recommended “best practices” for performing ion irradiations are described. The potential role of ion beam irradiations to assist the development and deployment of reactor materials is outlined. Key principles include developing methods for rapid and cost-effective materials selection and development, characterizing fundamental material response under irradiation, and developing a robust mechanistic understanding of microstructure evolution under irradiation (including development and validation of reliable predictive models for microstructure evolution).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

A metagenomic viral discovery approach identifies potential zoonotic and novel mammalian viruses in Neoromicia bats within South Africa

Species within the Neoromicia bat genus are abundant and widely distributed in Africa. It is common for these insectivorous bats to roost in anthropogenic structures in urban regions. Additionally, Neoromicia capensis have previously been identified as potential hosts for Middle East respiratory syndrome (MERS)-related coronaviruses. This study aimed to ascertain the gastrointestinal virome of these bats, as viruses excreted in fecal material or which may be replicating in rectal or intestinal tissues have the greatest opportunities of coming into contact with other hosts. Samples were collected in five regions of South Africa over eight years. Initial virome composition was determined by viral metagenomic sequencing by pooling samples and enriching for viral particles. Libraries were sequenced on the Illumina MiSeq and NextSeq500 platforms, producing a combined 37 million reads. Bioinformatics analysis of the high throughput sequencing data detected the full genome of a novel species of the Circoviridae family, and also identified sequence data from the Adenoviridae, Coronaviridae, Herpesviridae, Parvoviridae, Papillomaviridae, Phenuiviridae, and Picornaviridae families. Metagenomic sequencing data was insufficient to determine the viral diversity of certain families due to the fragmented coverage of genomes and lack of suitable sequencing depth, as some viruses were detected from the analysis of reads-data only. Follow up conventional PCR assays targeting conserved gene regions for the Adenoviridae, Coronaviridae, and Herpesviridae families were used to confirm metagenomic data and generate additional sequences to determine genetic diversity. The complete coding genome of a MERS-related coronavirus was recovered with additional amplicon sequencing on the MiSeq platform. The new genome shared 97.2% overall nucleotide identity to a previous Neoromicia-associated MERS-related virus, also from South Africa. Conventional PCR analysis detected diverse adenovirus and herpesvirus sequences that were widespread throughout Neoromicia populations in South Africa. Furthermore, similar adenovirus sequences were detected within these populations throughout several years. With the exception of the coronaviruses, the study represents the first report of sequence data from several viral families within a Southern African insectivorous bat genus; highlighting the need for continued investigations in this regard.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

SU-E-T-190: Commissioning An Elekta VersaHD Linear Accelerator

Purpose: The purpose of this study is to report the dosimetric aspects of commissioning performed on an Elekta VersaHD linear accelerator with high dose rate flattening-filter-free (FFF) photon modes and electron modes. Methods: Acceptance and commissioning was performed on an Elekta VersaHD linac with 5 photon energies (6MV, 10MV, 18MV, 6FFF, 10FFF), 4 electron energies (6MeV, 9MeV, 12MeV, 15MeV) and 160 leaf (5mm wide) multi-leaf collimators (MLCs). Mechanical and dosimetric data was measured and evaluated. The measurements include percent depth doses (PDDs), inplane and crossplane profiles, head scatter factor (Sc), relative photon output factors (Scp), universal wedge transmission factor, MLC transmission factors, and electron cone factors. Results: Gantry, collimator, couch isocentricity measurements were within 1mm, 0.7mm and 0.7mm diameter respectively. The PDDs of 6FFF and 10FFF beams show deeper dmax and steeper fall-off with depth than the corresponding flattened beams. While flatness values of 6FFF and 10FFF normalized profiles were higher than the corresponding flattened beams, the symmetry values were almost identical. The crossplane penumbra values were higher than the inplane penumbra values for all the energies. The MLC transmission values were 0.5%, 0.6% and 0.6% for 6MV, 10MV, and 18MV photon beams. The electron PDDs, profiles and cone factors is validated by literature. Conclusion: The outcome of radiation treatment is directly related to the accuracy in the dose modeled in the treatment planning system which is based on the commissioned data. Commissioning data provided us a valuable insight into the dosimetric characteristics of the beam. This set of commissioning data can provide comparison data to others performing VersaHD commissioning thus improving patient safety.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Quantification of Arctic Soil and Permafrost Properties Using Ground-Penetrating Radar and Electrical Resistivity Tomography Datasets

Improving understanding of Arctic ecosystem climate feedback and parameterization of models that simulate freeze-Thaw dynamics require advances in quantifying soil and snow properties. Due to the significant spatiotemporal variability of soil properties and the limited information provided by point-scale measurements (e.g., cores), geophysical methods hold potential for improving soil and permafrost characterization. In this study, we evaluate the use of a ground-penetrating radar (GPR) to estimate thaw layer thickness, snow depth, and ice-wedge characteristics in an ice-wedge-dominated tundra region near Barrow, AK, USA. To this end, we analyze GPR and point-scale measurements collected along several parallel transects at the end of the growing season and the end of frozen season. In addition, we compare the structural information extracted from the GPR data with electrical resistivity tomography (ERT) information about ice-wedge characteristics. Our study generally highlights the value of GPR data collected in the frozen season, when conditions lead to the improved GPR signal-To-noise ratio, facilitate data acquisition, and reduce acquisition-related ecosystem disturbance relative to growing season. We document for the first time that GPR data collected during the frozen season can provide reliable estimates of active layer thickness and geometry of ice wedges. We find that the ice-wedge geometry extracted from GPR data collected during the frozen season is consistent with ERT data, and that GPR data can be used to constrain the ERT inversion. Consistent with recent studies, we also find that GPR data collected during the frozen season can provide good estimates of snow thickness, and that GPR data collected during the growing season can provide reliable estimate thaw depth. As a result, our quantification of the value of the GPR and ERT data collected during growing and frozen seasons paves the way for coupled inversion of the datasets to improve understanding of permafrost variability.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

APOSTLE: 11 TRANSIT OBSERVATIONS OF TrES-3b

The Apache Point Survey of Transit Lightcurves of Exoplanets (APOSTLE) observed 11 transits of TrES-3b over two years in order to constrain system parameters and look for transit timing and depth variations. We describe an updated analysis protocol for APOSTLE data, including the reduction pipeline, transit model, and Markov Chain Monte Carlo analyzer. Our estimates of the system parameters for TrES-3b are consistent with previous estimates to within the 2{sigma} confidence level. We improved the errors (by 10%-30%) on system parameters such as the orbital inclination (i {sub orb}), impact parameter (b), and stellar density ({rho}{sub *}) compared to previous measurements. The near-grazing nature of the system, and incomplete sampling of some transits, limited our ability to place reliable uncertainties on individual transit depths and hence we do not report strong evidence for variability. Our analysis of the transit timing data shows no evidence for transit timing variations and our timing measurements are able to rule out super-Earth and gas giant companions in low-order mean motion resonance with TrES-3b.

79 ASTRONOMY AND ASTROPHYSICS↗
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 OSTI2017

Washington Geothermal Play Fairway Analysis Heat, Permeability, and Fracture Model Data

This submission contains raster and vector data for the entire state of Washington, with specific emphasis on the three geothermal play fairway sites: Mount St. Helens seismic zone (MSHSZ), Wind River valley (WRV), and Mount Baker (MB). Data are provided for 3 major geothermal models: heat, permeability, and fluid-filled fractures, and an additional infrastructure model. Both of the permeability and fluid-filled-fracture models are produced at 200 m and at 2 km depths; the heat model is only produced at the 200 m depth. Values are provided for both model favorability and model confidence. A combined model at 200m and 2 km depths is provided for favorability, confidence, and exploration risk. Raster data are provided in GeoTiff format and have a statewide coverage. Cell size is 104.355 ft; file type is unsigned 8-bit integer (0-255); 0 represents no favorability or confidence; 255 represents maximum favorability or confidence. The NAD83(HARN)/Washington South (ftUS) projection is used (EPSG:2927). Vector data are provided in shapefile or comma-delimited text file formats. Geographic coordinates, where provided, are in WGS84. A readme file accompanies each folder and provides an overview and description of the enclosed data. The heat model combines 5 intermediate raster layers (which are included in the download package): temperature gradient wells, young volcanic vents, hot springs, young intrusive volcanic rocks, and geothermometry. The permeability model combines 8 intermediate raster layers: density of mapped faults, 2D dilation tendency of mapped faults, 2D slip tendency of mapped faults, seismicity, 3D dilation tendency, 3D slip tendency, 3D maximum coulomb shear stress, and 3D slip gradients. The fluid-filled fracture model combines up to 4 intermediate rasters: resistivity from magneto-telluric 3D inversions, seismicity, Vp/Vs anomalies from passive seismic tomography, and Vs anomalies from ambient-noise tomography. A statewide infrastructure model is also provided that formalizes land-use constraints and restrictions relevant for geothermal prospecting and development. This model combines 10 intermediate rasters: areas off limits to drilling, existing or proposed geothermal leases, DNR-owned land, land-use restrictions along the Columbia River Gorge, areas inundated by water, availability of potential process water, proximity to existing roads, proximity to transmission lines, distance from urban areas, and snow-related elevation restrictions. Supporting vector data for the development of each raster layer is provided. For details on the areas of interest and modeling process please see the 'WA_State_Play_Fairway_Phase_2_Technical_Report' in the download package.

15 GEOTHERMAL ENERGY↗
DOE OSTI2016

AE Recorder Characteristics and Development.

The Anomalous Environment Recorder (AE Recorder) provides a robust data recording capability for multiple high-shock applications including earth penetrators. The AE Recorder, packaged as a 2.4" di ameter cylinder 3" tall, acquires 12 accelerometer, 2 auxiliary, and 6 discrete signal channels at 250k samples / second. Recording depth is 213 seconds plus 75ms of pre-trigger data. The mechanical, electrical, and firmware are described as well as support electro nics designed for the first use of the recorder.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

ToF-SIMS Depth Profiling of Organic Delta Layers with Low-Energy Cesium Ions: Depth Resolution Assessment

The advent of cluster ion beams has paved the way to the routine 3D analysis of organic heterojunctions. Alternatively, organic thin layers have also been successfully depth profiled with a low-energy cesium ion beam (Cs{sup +}), to exploit the high chemical reactivity of cesium atoms, acting as free-radical scavengers. Despite of this, little is known about the depth resolution associated with low-energy Cs{sup +} sputtering on organic multilayers. In this work, amino acids multilayers, consisting of phenylalanine delta layers alternated with tyrosine spacers, were used as model systems to assess the depth resolution associated with 500 eV Cs{sup +} depth profiles. High yields were obtained for quasi-molecular ions from both amino acids, and no significant chemical alteration was noticed under the monoatomic bombardment. A depth resolution as low as 4 nm is demonstrated without sensible degradation on a rather long profile depth (300 nm). Limited depth resolution (> 10 nm) along with high molecular degradation was previously reported on similar systems by combining low-energy Cs{sup +} with Ga{sup +} analysis beam. The use of the Bi{sub 3}{sup +} analysis beam results in a dramatic improvement of both the characteristic molecular signal intensities and the depth resolution. Even though the analysis beam fluence is very low compared to the sputtering beam fluence, data suggest that further reducing the analysis Bi{sub 3}{sup +} fluence could improve the depth resolution by ~ 1 nm. .

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2017

Planck intermediate results: LI. Features in the cosmic microwave background temperature power spectrum and shifts in cosmological parameters

We present that the six parameters of the standard ΛCDM model have best-fit values derived from the Planck temperature power spectrum that are shifted somewhat from the best-fit values derived from WMAP data. These shifts are driven by features in Planck the Planck temperature power spectrum at angular scales that had never before been measured to cosmic-variance level precision. We have investigated these shifts to determine whether they are within the range of expectation and to understand their origin in the data. Taking our parameter set to be the optical depth of the reionized intergalactic medium Τ, the baryon density ω b , the matter density ω m , the angular size of the sound horizon θ&lowast; the spectral index of the primordial power spectrum, n s , and A s e -2τ (where A s is the amplitude of the primordial power spectrum), we have examined the change in best-fit values between a WMAP-like large angular-scale data set (with multipole moment < 800 in the Planck temperature power spectrum) and an all angular-scale data set (< 2500 Planck temperature power spectrum), each with a prior on τ of 0.07 ± 0.02. We find that the shifts, in units of the 1σ expected dispersion for each parameter, are { Δτ,ΔA s e - 2τ ,Δn s ,Δω m ,Δω b ,Δθ&lowast; } = { -1.7,-2.2,1.2,-2.0,1.1,0.9 }, with a χ2 value of 8.0. We find that this χ2 value is exceeded in 15% of our simulated data sets, and that a parameter deviates by more than 2.2σ in 9% of simulated data sets, meaning that the shifts are not unusually large. Comparing &ell; < 800 instead to &ell; > 800, or splitting at a different multipole, yields similar results. We examined the &ell; < 800 model residuals in the &ell; > 800 power spectrum data and find that the features there that drive these shifts are a set of oscillations across a broad range of angular scales. Although they partly appear similar to the effects of enhanced gravitational lensing, the shifts in ΛCDM parameters that arise in response to these features correspond to model spectrum changes that are predominantly due to non-lensing effects; the only exception is Τ, which, at fixed A s e -2τ , affects the &ell; > 800 temperature power spectrum solely through the associated change in A s and the impact of that on the lensing potential power spectrum. We also ask, "what is it about the power spectrum at &ell; < 800 that leads to somewhat different best-fit parameters than come from the full range?" We find that if we discard the data at &ell; < 30, where there is a roughly 2σ downward fluctuation in power relative to the model that best fits the full range, the &ell; < 800 best-fit parameters shift significantly towards the &ell; < 2500 best-fit parameters. In contrast, including &ell; < 30, this previously noted "low-deficit" drives n s up and impacts parameters correlated with n s , such as ω m and H 0 . As expected, the &ell; < 30 data have a much greater impact on the &ell; < 800 best fit than on the &ell; < 2500 best fit. So although the shifts are not very significant, we find that they can be understood through the combined effects of an oscillatory-like set of high-residuals and the deficit in low-power, excursions consistent with sample variance that happen to map onto changes in cosmological parameters. Finally, we examine agreement between PlanckTT data and two other CMB data sets, namely the Planck lensing reconstruction and the TT power spectrum measured by the South Pole Telescope, again finding a lack of convincing evidence of any significant deviations in parameters, suggesting that current CMB data sets give an internally consistent picture of the ΛCDM model.

79 ASTRONOMY AND ASTROPHYSICS↗
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,↗
DOE OSTI2023

Assessing Clouds Using Satellite Observations Through Three Generations of Global Atmosphere Models

Abstract Clouds are parameterized in climate models using quantities on the model grid‐scale to approximate the cloud cover and impact on radiation. Because of the complexity of processes involved with clouds, these parameterizations are one of the key challenges in climate modeling. Differences in parameterizations of clouds are among the main contributors to the spread in climate sensitivity across models. In this work, the clouds in three generations of an atmosphere model lineage are evaluated against satellite observations. Satellite simulators are used within the model to provide an appropriate comparison with individual satellite products. In some respects, especially the top‐of‐atmosphere cloud radiative effect, the models show generational improvements. The most recent generation, represented by two distinct branches of development, exhibits some regional regressions in the cloud representation; in particular the southern ocean shows a positive bias in cloud cover. The two branches of model development show how choices during model development, both structural and parametric, lead to different cloud climatologies. Several evaluation strategies are used to quantify the spatial errors in terms of the large‐scale circulation and the cloud structure. The Earth mover's distance is proposed as a useful error metric for the passive satellite data products that provide cloud‐top pressure‐optical depth histograms. The cloud errors identified here may contribute to the high climate sensitivity in the Community Earth System Model, version 2 and in the Energy Exascale Earth System Model, version 1.

54 ENVIRONMENTAL SCIENCES↗