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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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DOE OSTI2024

Modeling the Effects of Artificial Drainage on Agriculture-dominated Watersheds using a Fully Distributed Integrated Hydrology Model: Datasets, scripts, model files

This model-data archive supports the research paper that demonstrates the integration of agricultural drainage features—specifically, narrow engineered ditches and tile drains—into a fully distributed, basin-scale integrated surface-subsurface hydrology model (ISSHM), Amanzi-ATS. The model employs innovative computational meshes aligned with agricultural ditches and incorporates the physically based Hooghoudt's drainage equation to simulate tile drainage, offering a novel strategy that enhances the accuracy of hydrological simulations.The archived dataset includes input parameters, model configurations, and select simulation outputs for the Amanzi-ATS model that successfully captured the streamflow patterns in the Portage River Watershed as validated by USGS gauge readings. Jupyter notebook for the preparation of model inputs and post-processing of outputs are also included. The model's predictive performance achieved a normalized Kling-Gupta Efficiency (KGE) of 0.81, surpassing SWAT without the necessity for site-specific calibration.The Amanzi-ATS model presented in this modeL-data archive allows for numerical experiments to explore the shifts in the flow structure under different drainage scenarios. As a tool for advancing the understanding of distributed hydrological responses and nutrient cycling, this archived model provides valuable insights for researchers, modelers, and decision-makers involved in watershed management and environmental modeling.The Watershed Workflow package is implemented in Python3. The Jupyter notebooks can be executed through multiple open-source tools, for example, Anaconda Jupyter Lab, VS Studio Code, etc. Other data files include CSV and HDF5 files, which can be read through Python scripts. The input files for the ATS model, open-source integrated hydrology, and transport model, are in XML format and can be edited in any commonly used text editors.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Every apple has a voice: using stable isotopes to teach about food sourcing and the water cycle

Abstract. Agricultural crops such as fruits take up irrigation and meteoric water and incorporate it into their tissue ( fruit water ) during growth, and the geographic origin of a fruit may be traced by comparing the H and O stable isotope composition ( δ 2 H and δ 18 O values) of fruit water to the global geospatial distribution of H and O stable isotopes in precipitation. This connection between common fruits and the global water cycle provides an access point to connect with a variety of demographic groups to educate about isotope hydrology and the water cycle. Within the context of a 1-day outreach activity designed for a wide spectrum of participants (high school students, undergraduate students, high school science teachers) we developed introductory lecture materials, in-class participatory demonstrations of fruit water isotopic measurement in real time, and a computer lab exercise to couple actual fruit water isotope data with open-source online geospatial analysis software. We assessed learning outcomes with pre- and post-tests tied to learning objectives, as well as participant feedback surveys. Results indicate that this outreach activity provided effective lessons on the basics of stable isotope hydrology and the water cycle. However, the computer lab exercise needs to be more specifically tailored to the abilities of each participant group. This pilot study provides a foundation for further development of outreach materials that can effectively engage a range of participant groups in learning about the water cycle and the ways in which humans modify the water cycle through agricultural activity.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Model Data for the Mesh Convergence Study Demonstrating Benefits of Mixed-polyhedral Mesh in Integrated Hydrology Simulations

This archived model data is related to a study introducing a unique method that employs a stream-aligned mixed-polyhedral mesh to effectively and accurately represent river valleys, stream corridors, and narrow engineered channels in integrated hydrology simulations. The study finds that utilizing stream-aligned mixed-polyhedral meshes in integrated hydrology simulations achieves accuracy on par with a finely refined TIN-based mesh while markedly diminishing computational costs. This archive contains scripts and data files needed to generate the ATS model input, including mesh and ATS input files, for all mesh scenarios using the Watershed Workflow package. Additionally, this archive also provides key outputs from the model simulations that are used in the analysis and post-processing scripts to reproduce figures in the manuscript. The Watershed Workflow package is implemented in Python3. The Jupyter notebooks can be executed through multiple open-source tools, for example, Anaconda Jupyter Lab, VS Studio Code, etc. Other data files include CSV and HDF5 files, which can be read through Python scripts. The input files for the ATS model, open-source integrated hydrology, and transport model are in XML format and can be edited in any commonly used text editors.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Real-time performance of commercial Intel-based VME Controllers for the CODA data acquisition system

We have evaluated the performance of several Intel-based VME Controllers for the use in the data acquisition systems (DAQs) at Jefferson Lab. For the 12 GeV upgrade, PPC-based VME controllers running vxWorks will be replaced with those that are Intel-based running Linux. Their task will be facilitated by the use of FPGAs on the VME modules to perform trigger logic and communicating trigger information over serial and fiber connections through the DAQ. The need for a hard realtime operating system on the VME controller is removed from the equation as the readout of the digitized data from the VME modules (using VME-2eSST) is done in a threaded environment with multiple CPU cores while digitization takes place in the buffered, pipelined system. In this paper we brief discuss the 12 GeV Hall D DAQ and the requirements of the VME Controller. We present results from baseline testing of various models from different vendors using different Linux kernels, including results from a kernel compiled with the CONFIG_PREEMPT_RT patch.

Moffit, Bryan↗
DOE OSTI2024

Model data for Flood Frequency Analysis using Stochastic Storm Transposition and an Integrated Surface-Subsurface Hydrological Model

This archived provides scripts and input files used for the implementation of a novel approach to conduct process-based Flood Frequency Analysis using a Stochastic Storm Transposition (SST) and an Integrated Surface-Subsurface Hydrological Model (ISSHM). As a proof-of-concept, this study uses the ISSHM, Advanced Terrestrial Simulator (Amanzi-ATS) model, and the SST model, RainyDay, to conduct flood frequency analysis by simulating the flood response to 5,000 annual synthetic storm events in a ~2000 km2 Southeast Texas watershed.The Watershed Workflow package is implemented in Python3. The Jupyter notebooks can be executed through multiple open-source tools, for example, Anaconda Jupyter Lab, VS Studio Code, etc. Other data files include TXT, CSV, DAT, SBATCH, SHP, TIF, NetCDF, and HDF5 files, which can be read through Python scripts. The input files for the ATS model and RainyDay model have .XML and .SST extensions, respectively, and can be edited in any commonly used text editors.This archive contains:* Scripts and data files essential for generating the ATS model input. It uses the Watershed Workflow package to produce both mesh and ATS input files. * Jupyter notebooks designated for the ATS model evaluation, covering both long-term simulations and 40 rainfall-runoff events.* Input files required to simulate SST storm events using RainyDay.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Measurement of the (e,e') cross section for12C, 48Ti, 27Al and 40Ar

Many experiments have found that neutrinos have three different flavors, and they can transform from each other. Each flavor is a mixture of three nonzero mass states. In neutrino oscillation experiments, the uncertainty of the extracted oscillation parameters is dependent on the neutrino-nucleus cross section. In recent years various experiments provided precise neutrino and anti-neutrino cross section measurements and they have shown the inability of current Monte Carlo simulations to reproduce the data. A more accurate nuclear structure model of the target employed in neutrino detector is urgently needed to improve the precision of long baseline neutrino experiments. Electron scattering has been one of the most powerful methods of obtaining information about cross sections in the past. In the upcoming deep underground neutrino experiment (DUNE), Liquid Argon Time Projection Chambers (LArTPCs) will be used as the detector technology and argon will be used as the nuclear target. There are very few data available on argon and there is not an accurate nuclear model that describes them accurately, at ~5% level. We have performed an electron-argon scattering experiment at Jefferson Lab (E12-14-012) to provide accurate data that will help build a reliable nuclear model for describing neutrino-argon scattering. The JLab E12-14-012 experiment has successfully taken data in Hall A at the Thomas Jefferson National Accelerator Facility between February and March of 2017. We collected data for the inclusive (e,e') and exclusive (e,e'p) processes for a variety of targets (argon, titanium, aluminum, carbon) at a wide range of kinematic settings. This thesis will present the results of the inclusive double differential cross sections for carbon, titanium, aluminum and argon at beam energy E = 2:222 GeV and scattering angle theta = 15:541 deg with total uncertainties smaller than 5%. The kinematic settings covered a broad range of energy transfers, including deep inelastic scattering (DIS), delta production, and quasielastic scattering.

Dai, Hongxia↗
DOE OSTI2024

LTE Electrolyzer Data Collection

The goal for NREL is to collect, develop and publish performance metrics relative to low temperature electrolyzer installations. This will be done through the development of: Secure storage solution to house the collection of data from multiple projects Standardization of data to be collected and analyzed. This will be done using data templates developed with the help of partners involved with electrolyzer installations. Analysis that produces metrics of interest for all stakeholders Aggregation of results from multiple projects to view industry progress as a whole Publication of aggregated results in the form of composite data products (CDPs) Collaboration with Idaho National Lab and their work with high temperature electrolyzer installations will enable efficient use of storage and analysis tools.

data↗
DOE OSTI2015

Direct Observation of Quark-Hadron Duality in the Free Neutron {ital F}{sub 2} Structure Function

Using the recently published data from the BONuS(Barely Off-shell Nucleon Structure) experiment at Jefferson Lab, which utilized a spectator tagging technique to extract the inclusive electron-free neutron scattering cross section, we obtain the first direct observation of quark-hadron duality in the neutron F-2 structure function. The data are used to reconstruct the lowest few (N = 2, 4, and 6) moments of F-2 in the three prominent nucleon resonance regions, as well as the moments integrated over the entire resonance region. Comparison with moments computed from global parametrizations of parton distribution functions suggest that quark-hadron duality holds locally for the neutron in the second and third resonance regions down to Q(2) approximate to 1 GeV2, with violations possibly up to 20% observed in the first resonance region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Model data for a watershed-scale study in the Portage River Basin (OH) examining the effects of subsurface drainage on the hydrologic response of an agricultural watershed.

This study builds on Rathore et al. (2024, WRR) and investigates the role of artificial tile-drainage on various aspects of watershed hydrological response, with a particular focus on peakflow. The model-data for the original modeling-focused paper (Rathore et al., 2024, WRR) is archived at Rathore et al. (2024, ESS-DIVE). Hence, this model-data archive provides scripts that are specific to this study that includes model updates, processing and analysis scripts. For details and models files of original model, readers are referred to Rathore et al. (2024, ESS-DIVE). The key difference between the model configuration in this study and Rathore et al. (2024, WRR) is that the tile drains are applied to the entire domain, to study the impact of tile-drains on different aspects of hydrological response. Additional scenario considering intensified precipitation after a dry period was also simulated. The Watershed Workflow package is implemented in Python3. The Jupyter notebooks can be executed through multiple open-source tools, for example, Anaconda Jupyter Lab, VS Studio Code, etc. Other data files include CSV and HDF5 files, which can be read through Python scripts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2011

Baryon Spectroscopy and Resonances

A short review of current efforts to determine the highly excited state spectrum of QCD, and in particular baryons, using lattice QCD techniques is presented. The determination of the highly excited spectrum of QCD is a major theoretical and experimental challenge. The experimental investigation of the excited baryon spectrum has been a long-standing element of the hadronic-physics program, an important component of which is the search for so-called 'missing resonances', baryonic states predicted by the quark model based on three constituent quarks but which have not yet been observed experimentally. Should such states not be found, it may indicate that the baryon spectrum can be modeled with fewer effective degrees of freedom, such as in quark-diquark models. In the past decade, there has been an extensive program to collect data on electromagnetic production of one and two mesons at Jefferson Lab, MIT-Bates, LEGS, MAMI, ELSA, and GRAAL. To analyze these data, and thereby refine our knowledge of the baryon spectrum, a variety of physics analysis models have been developed at Bonn, George Washington University, Jefferson Laboratory and Mainz. To provide a theoretical determination and interpretation of the spectrum, ab initio computations within lattice QCD have been used. Historically, the calculation of the masses of the lowest-lying states, for both baryons and mesons, has been a benchmark calculation of this discretized, finite-volume computational approach, where the aim is well-understood control over the various systematic errors that enter into a calculation; for a recent review. However, there is now increasing effort aimed at calculating the excited states of the theory, with several groups presenting investigations of the low-lying excited baryon spectrum, using a variety of discretizations, numbers of quark flavors, interpolating operators, and fitting methodologies. Some aspects of these calculations remain unresolved and are the subject of intense effort, notably the ordering of the Roper resonance in the low-lying Nucleon spectrum.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Geophysical estimation of shallow permafrost distribution and properties in an ice-wedge polygon-dominated Arctic tundra region

Shallow permafrost distribution and characteristics are important for predicting ecosystem feedbacks to a changing climate over decadal to century timescales because they can drive active layer deepening and land surface deformation, which in turn can significantly affect hydrologic and biogeochemical responses, including greenhouse gas dynamics. As part of the U.S. Department of Energy Next-Generation Ecosystem Experiments- Arctic, we have investigated shallow Arctic permafrost characteristics at a site in Barrow, Alaska, with the objective of improving our understanding of the spatial distribution of shallow permafrost, its associated properties, and its links with landscape microtopography. To meet this objective, we have acquired and integrated a variety of information, including electric resistance tomography data, frequency-domain electromagnetic induction data, laboratory core analysis, petrophysical studies, high-resolution digital surface models, and color mosaics inferred from kite-based landscape imaging. The results of our study provide a comprehensive and high-resolution examination of the distribution and nature of shallow permafrost in the Arctic tundra, including the estimation of ice content, porosity, and salinity. Among other results, porosity in the top 2 m varied between 85% (besides ice wedges) and 40%, and was negatively correlated with fluid salinity. Salinity directly influenced ice and unfrozen water content and indirectly influenced the soil organic matter content. A relatively continuous but depth-variable increase in salinity led to a partially unfrozen saline layer (cryopeg) located below the top of the permafrost. The cryopeg environment could lead to year-round microbial production of greenhouse gases. Results also indicated a covariability between topography and permafrost characteristics including icewedge and salinity distribution. In addition to providing insight about the Arctic ecosystem, through integration of lab-based petrophysical results with field data, this study also quantified the key controls on electric resistivity at this Arctic permafrost site, including salinity, porosity, water content, ice content, soil organic matter content, and lithologic properties.

58 GEOSCIENCES↗
DOE OSTI2024

Technical Learning and Integration of Interns in Advanced Protection Lab Space: Enhancements to Testbed and Experiments to Improve Workflows for Producing Datasets

This report presents a successful technical learning integration of student interns in the Advanced Protection Laboratory space, located in the Grid Research Integration and Deployment Center (GRID-C) at the Department of Energy’s (DOE’s) Oak Ridge National Laboratory (ORNL). The Advanced Protection Laboratory was created for the primary goal of supporting DOE’s research projects and technical staff at ORNL. As a secondary goal, the space was used for collaborating with ORNL’s intern programs, providing support to the lab’s mentors and student interns. In 2024, three student interns spent a summer in the Advanced Protection lab space and were involved in the DarkNet Distributed Ledger Technology (DLT) project. The students had a great opportunity to gain hands-on experience with communication and protective relay equipment focused on information technology, data analytics, and cybersecurity. Experiences in the lab space with real equipment and software integration offer education and professional development for students, which is especially important because of a need in the energy industry to recruit highly skilled power and communication engineers.

42 ENGINEERING↗
DOE OSTI2019

Calculating Dose Release Factors to Obtain the Worst-Case Maximally Exposed Location by Sector

The aim of this project was to update the SRS Dose Release Factors (DRF's) for the Maximally Exposed Individual (MEI) for 20 area release points onsite. To update, potential MEIs now include onsite locations and modeled stack heights were updated to match onsite operations. The DRF's and MEI locations are used to ensure DOE and EPA compliance is met for dose standards. The Environmental Protection Agency (EPA) requires the use of the computer model CAP88 to estimate doses for demonstrating compliance with 40 CFR 61, the National Emission Standard for Hazardous Air Pollutants (NESHAP). The location of the maximally exposed individual (MEI) by sector and distance is required for execution of CAP88. The worst-case sector is the sector and distance where an offsite individual would receive the highest dose due to a potential release from a designated release location at a facility. The worst-case sector analysis addresses potential ground-level and stack-height releases from 20 areas of Savannah River Site (SRS). Weather patterns were analyzed at each of these areas relative to sixteen compass points. The analysis makes use of recently updated distance data and meteorological data. The computer model, CAP88 is EPA's software system used by the Department of Energy (DOE) to calculate the receptor dose due to routine atmospheric releases via a gaussian plume at the Savannah River Site (SRS). The dose-release factors (DRFs) are used to estimate the offsite and onsite dose from facility-specific releases and represent the dose to a receptor exposed to 1 Ci of a specified radionuclide being released into the atmosphere. The DRFs are simply a ratio of the TED to the release rate and, therefore, are directly scalable. The DRF values listed in the Appendix can be applied to expected release values from each area to estimate the potential dose to an individual adult at each location. NESHAP DRFs have been supplied to Environmental Compliance and Area Closure Projects (EC and ACP) for many years and are periodically updated to include changes in Cap88. estimate the potential dose to an individual adult at each location DRF in mrem Ci{sup -1} are estimated by modeling the total effective dose (TED) in mrem yr{sup -1} assuming an annual atmospheric release rate of 1 Ci yr-1 of the associated radionuclides. TED = Effective Dose (ED) + Committed Effective Dose (CED). TED = DRF/RR. Approach and Methods: Determine possible MEI locations Onsite/Offsite including buildings and farms; Determine the distances from the release area to the possible MEI location and the direction from the release to the MEI location; Using the most recent meteorological data (2007-2011) and parameters, run CAP88 for each release area for each compass sector and previously calculated distances to MEI locations using a 1 Ci release rate for tritium; Use the calculated the air concentration values to determine the MEI for each sector from CAP88. The relationship between air concentration and received dose is directly proportional and can be used to determine which locations to calculate DRF's and a dose for an MEI; The DRFs are found for each compass sector from 20 SRS release areas using CAP88-PC Version 4.0; Each location is calculated with ground level releases evaluated for each area for a list of radionuclides, some with and some without progenies; Compare the DRFs of the potential onsite MEIs to offsite MEIs. Based on the 2018 MEI Report, the Site worst case sector MEI is located 593 mW of B-Area. This MEI location represents a point along the main road that travels through a tract of land leased to the SC National Guard. While this location is estimated to have the highest exposure, minimal radioactivity is released from B-Area. In 2017, SRS requested and was approved by the EPA to change the location for modeling site releases from the Center of Site to H-Area, and to use six stack heights. H-Area emission account for approximately 90% of all radioactive operations onsite. The MEI for H-Area was found to be 11,458 m NNE which locates the Savannah River Ecology Lab Conference Center. Comparisons for 2018 data and 2014 shows the new methods of calculation are more conservative yet still remain well below the DOE 100 mrem limit.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Gap Resolution

Gap Resolution is a software package that was developed to improve Newbler genome assemblies by automating the closure of sequence gaps caused by repetitive regions in the DNA. This is done by performing the follow steps:1) Identify and distribute the data for each gap in sub-projects. 2) Assemble the data associated with each sub-project using a secondary assembler, such as Newbler or PGA. 3) Determine if any gaps are closed after reassembly, and either design fakes (consensus of closed gap) for those that closed or lab experiments for those that require additional data. The software requires as input a genome assembly produce by the Newbler assembler provided by Roche and 454 data containing paired-end reads.

Labutti, Kurt↗
DOE OSTI2023

Towards scanning nanostructure X-ray microscopy

This article demonstrates spatial mapping of the local and nanoscale structure of thin film objects using spatially resolved pair distribution function (PDF) analysis of synchrotron X-ray diffraction data. This is exemplified in a lab-on-chip combinatorial array of sample spots containing catalytically interesting nanoparticles deposited from liquid precursors using an ink-jet liquid-handling system. A software implementation is presented of the whole protocol, including an approach for automated data acquisition and analysis using the atomic PDF method. The protocol software can handle semi-automated data reduction, normalization and modeling, with user-defined recipes generating a comprehensive collection of metadata and analysis results. By slicing the collection using included functions, it is possible to build images of different contrast features chosen by the user, giving insights into different aspects of the local structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Continuous precipitation‐filtration process for initial capture of a monoclonal antibody product using a four‐stage countercurrent hollow fiber membrane washing step

The significant increase in product titers, coupled with the growing focus on continuous bioprocessing, has renewed interest in using precipitation as a low‐cost alternative to Protein A chromatography for the primary capture of monoclonal antibody (mAb) products. In this work, a commercially relevant mAb was purified from clarified cell culture fluid using a tubular flow precipitation reactor with dewatering and washing provided by tangential flow microfiltration. The particle morphology was evaluated using an inline high‐resolution optical probe, providing quantitative data on the particle size distribution throughout the precipitation process. Data were obtained in both a lab‐built 2‐stage countercurrent washing system and a commercial countercurrent contacting skid that provided 4 stages of continuous washing. The processes were operated continuously for 2 h with overall mAb yield of 92 ± 3% and DNA removal of nearly 3 logs in the 4‐stage system. The high DNA clearance was achieved by selective redissolution of the mAb using a low pH acetate buffer. Host cell protein clearance was 0.59 ± 0.08 logs, comparable to that based on model predictions. The process mass intensity was slightly better than typical Protein A processes and could be significantly improved by preconcentration of the antibody feed material.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Techno-economic analysis of the use of atomic layer deposited transition metal oxides in silicon heterojunction solar cells

The industry for producing silicon solar cells and modules has grown remarkably over the past decades, with more than a 100-fold reduction in price over the past 45?years. The main solar cell fabrication technology has shifted over that time and is currently dominated by the passivated emitter and rear cell (PERC). Other technologies are expected to increase in market share, including tunnel-oxide passivated contact (TOPCon) and heterojunction technology (HJT). In this paper, we examine the cost potential for using atomic layer deposition (ALD) to form transition metal oxide (TMO) layers (MoO x , TiO x and aluminium-doped zinc oxide [AZO]) to use as lower cost alternatives of the p-doped, n-doped and indium tin oxide (ITO) layers, respectively, the layers normally used in HJT solar cells. Using a bottom-up cost and uncertainty model with equipment cost data and process experience in the lab, we find that the production cost of these variations will likely be lower per wafer than standard HJT, with the main cost drivers being the cost of the ALD precursors at high-volume production. We then considered what efficiency is required for these sequences to be cost effective in $/W and discuss whether these targets are technically feasible. This work motivates further work in developing these ALD TMO processes to increase their efficiency towards their theoretical limits to take advantage of the processing cost advantage.

14 SOLAR ENERGY↗