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All sources NASA NTRS DOE OSTI

NASA NTRS2022

L-Band Microwave Satellite Data and Model Simulations Over the Dry Chaco to Estimate Soil Moisture, Soil Temperature, Vegetation and Soil Salinity

The Dry Chaco in South America is a semi-arid ecoregion prone to dryland salinization. In this region, we investigated coarse-scale surface soil moisture (SM), soil temperature, soil salinity and vegetation, using L-band microwave brightness temperature (TB) observations and retrievals from the Soil Moisture Ocean Salinity (SMOS) and Soil Moisture Active Passive (SMAP) satellite missions, Catchment Land Surface Model (CLSM) simulations, and in situ measurements within 26 sampled satellite pixels. Across these 26 sampled pixels, the satellite-based SM outperformed CLSM SM compared to field data, and forward L-band TB simulations derived from in situ SM and temperature performed better than those derived from CLSM estimates relative to SMOS TB observations. The surface salinity for the sampled pixels was on average only 4 mg/g and only locally influenced the TB simulations, when including salinity in the dielectric mixing model of the forward radiative transfer model (RTM) simulations. To explore the potential of retrieving salinity together with other RTM parameters to optimize TB simulations over the entire Dry Chaco, the RTM was inverted using 10 years of multi-angular SMOS TB data and constraints of CLSM SM and temperature. However, the latter modeled SM was not sufficiently accurate and factors such as open surface water were missing in the background constraints, so that the salinity retrievals effectively represented a bulk correction of the dielectric constant, rather than salinity per se. However, the retrieval of vegetation, scattering albedo and surface roughness resulted in realistic values.

L-Band↗

DOE OSTI2025

Cluster-Graph Fingerprinting: A Framework for Quantitative Analysis of Machine-Learned Interatomic Model Training and Simulation Data

Machine-learned interatomic models represent a significant advancement in simulation methods, extending the predictive ability of first-principles methods to previously inaccessible length and time scales. However, the data-driven nature of these models can lead to difficult-to-detect errors that can compromise prediction accuracy. To address this challenge, we introduce a novel fingerprinting approach based on the Chebyshev Interaction Model for Efficient Simulation (ChIMES) ML-IAM graph-based descriptor. Our strategy enables efficient and statistically rigorous analysis of system configurations used in ML-IAM training and those generated by their application, e.g., in molecular dynamics simulations. We demonstrate that these fingerprints can effectively assess novelty of a configuration relative to an existing data set and determine dissimilarity among individual configurations, which are two key tasks in workflows for active learning-based ML-IAM training, data set curation, and on-the-fly uncertainty quantification.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Application of Artificial Neural Networks to Reliable Nuclear Data for Nonproliferation Modeling and Simulation

Detection and identification of special nuclear materials (SNMs) are an essential part of the US nonproliferation effort. Modern cutting-edge SNM detection methodologies rely more and more on modeling and simulation techniques. Experiments with radiological samples in realistic configurations, is the ultimate tool that establishes the minimum detection limits of SNMs in a host of different geometries. Modern modeling and simulation approaches have the potential to significantly reduce the number of experiments with radioactive sources needed to determine these detection limits and reduce the financial barrier to SNM detection. Unreliable nuclear data is one of the principal causes of uncertainty in modeling and simulating nuclear systems. In particular, nuclear cross sections introduce a significant uncertainty in the nuclear data. The goal of this research is to develop a methodology that will autonomously extract the correct nuclear resonance characteristics of experimental data in a reliable way, a task previously left to expert judgement. Accurate nuclear data will in turn allow contemporary modeling and simulation to become far more reliable, de-escalating the extent of experimental testing. Modeling and simulation techniques reduce the use and distribution of radiological sources, while at the same time increase the reliability of the currently used methods for the detection and identification of SNMs.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2024

Simulations, Modeling and Data Analysis of Parity Violating Electron Scattering Experiments

In the Standard Model (SM) of nuclear and particle physics, parity violation is incorporated through the representation of the weak interaction as a chiral gauge interaction. Only the left-handed components of particles and right-handed components of antiparticles participate in weak interactions in the Standard Model. This implies that parity is asymmetric for the weak interaction. Parity violating electron scattering (PVES) experiments are designed to probe the physics parameters related to the SM, with the possibility to discover physics beyond the SM (BSM) by measuring the parity violating asymmetry ¿¿¿ of longitudinally polarized electrons scattered off unpolarized targets with high precision. This dissertation will be focused on two PVES experiments, the next 208Pb Lead Radius Experiment (PREX-II), and the Measurement of a Lepton-Lepton Electroweak Reaction (MOLLER) experiment, as well as in some small sections, the Calcium Radius Experiment (CREX) and P2 experiment which are also PVES experiments). PREX-II and CREX experiments, performed in Hall A at the Thomas Jefferson National Accelerator Facility (Jefferson Lab), measured ¿¿¿ in the elastic scattering of longitudinally polarized electrons from 208Pb and 48Ca targets to provide a precise model independent determination of the neutron skin thickness of 208Pb and 48Ca nuclei, respectively. The MOLLER experiment, proposed to start in 2027 and also to be performed in Hall A at Jefferson Lab, is to measure ¿¿¿ of longitudinally polarized electrons scattered off unpolarized electrons (Møller scattering) to determine the weak charge of electrons ¿¿¿ and the weak mixing angle ¿¿ with high precision. As for the P2 experiment, which will be performed at the upcoming MESA accelerator in Mainz Germany, it is to measure the weak charge of proton ¿¿¿ using ¿¿¿ in the elastic electron-proton scattering of polarized electrons off unpolarized protons. The final results from the PREX-II experiment are presented as ¿¿¿=550±16 (¿¿¿¿)±8 (¿¿¿¿) parts-per-billion (ppb). Combining the PREX-I and PREX-II results, the neutron skin thickness from PREX experiments is determined as ¿¿-¿¿=0.283±0.071 ¿¿ in 208Pb. This thesis lists the software and computational contribution of the author to these PVES experiments, including writing scripts and software to help with the PREX-II/CREX experiments, analyzing data to provide useful information and systematic uncertainty for the PREX-II experiment, modeling and simulations for the MOLLER, and providing an alternative design of an electronic equipment for the P2 experiment.

Chen, Yufan↗

DOE OSTI2024

Simulations, Modeling and Data Analysis of Parity Violating Electron Scattering Experiments

Chen, Yufan↗

DOE OSTI2019

Curated Modeled Fault Data Set

The curated fault model simulation data set consists of tagged and fully-described time series representing simulated faults for the AFDD test building (ORNLs Flexible Research Platform (FRP)), including baseline performance, faulty performance, and corresponding energy impact. A total of 26 fault models are considered for 99 simulation scenarios with various fault intensity levels. Additional Contacts: Principal investigator: Matt Leach Matt.Leach@nrel.gov Simulation performer: Janghyun Kim Janghyun.Kim@nrel.gov

AFDD↗

DOE OSTI2024

Hydrological controls of a riparian wetland based on stable isotope data and model simulations

Isotopic evidence of groundwater and stream water is frequently used to investigate water exchanges with groundwater. Monthly sampling of rain, stream water, and groundwater was conducted at Tims Branch watershed in South Carolina for the oxygen and hydrogen stable isotope (δ 2 H and δ 18 O) measurement, as well as pH and oxidation–reduction potential (ORP). Together with a mass balance perspective, it was determined that it takes a few weeks to one month for groundwater in the hyporheic zone to fully exchange with stream water. From hydrodynamic modelling, we show that substantial (up to 70 %) groundwater exchange occurs at gaining and losing sites. Groundwater exfiltration, i.e. inflow into stream water, contributes up to 4 % to stream water, with the remainder from upstream exfiltration. A 2–4 % per day renewal rate of adjacent groundwater would indirectly indicate a groundwater residence time in the order of half a month to a full month (assuming either a well-mixed case or large dispersion rate in pulse flow case), in agreement with a greatly reduced variability of δ 2 H and δ 18 O of groundwater compared to stream water and rain. This reduced variability of stable isotope signal from groundwater confirms our hypothesis that riparian groundwater mixing at Tims Branch is more of a mixed type rather than a pulse flow type. As a result, a monthly time scale is sufficient for groundwater to become anoxic at exit points into stream water resulting in the episodic production of natural organic matter- and iron-rich flocs upon oxidation.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2012

Integrated Data Modeling and Simulation on the Joint Polar Satellite System Program

The Joint Polar Satellite System is a modern, large-scale, complex, multi-mission aerospace program, and presents a variety of design, testing and operational challenges due to: (1) System Scope: multi-mission coordination, role, responsibility and accountability challenges stemming from porous/ill-defined system and organizational boundaries (including foreign policy interactions) (2) Degree of Concurrency: design, implementation, integration, verification and operation occurring simultaneously, at multiple scales in the system hierarchy (3) Multi-Decadal Lifecycle: technical obsolesce, reliability and sustainment concerns, including those related to organizational and industrial base. Additionally, these systems tend to become embedded in the broader societal infrastructure, resulting in new system stakeholders with perhaps different preferences (4) Barriers to Effective Communications: process and cultural issues that emerge due to geographic dispersion and as one spans boundaries including gov./contractor, NASA/Other USG, and international relationships.

Roberts, Christopher J.↗

DOE OSTI2020

AFIP6-MkII and RERTR-12 Porosity Data Collection and Analysis for Modeling and Simulation

Gathering data for the improvement of nuclear fuel modeling and simulation efforts is the primary driver for this work. Mechanistic models allow for a better understanding of the material on a micro- and macrostructural level while saving time and money over traditional experiment efforts. Historically, summarized data and correlations are the inputs for empirical material models and model validation. When improving these models for nuclear fuels with experimental results, there is a lack of reliable data readily available. Experiments - RERTR-12 and AFIP6-MkII - were conducted to understand the irradiation behavior of metallic U-10Mo monolithic fuels for use in extreme reactor environments such as research reactors like the Advanced Test Reactor (ATR) or the High Flux Isotope Reactor (HFIR). Microstructural characteristics of fission gas pores (FGP) in each experiment are collected using an automated image analysis technique developed at the University of Florida and presented here. A series of statistical tests are performed to explore the reliability of the results, as well as understand where the data is lacking and what future data collection is necessary to provide sufficient information to assist modeling efforts. The focus is on the porosity, pore size, and eccentricity of FGPs formed during irradiation in three AFIP6-MkII samples and one RERTR-12 sample. From the analysis, it is clear there are substantial impacts of fission density on the pore structure, but there also exist also underlying connections between each sample and the behavior observed in the pores. Further analyses of the pre- and post-irradiation microstructure are needed to improve the understanding of these connections. An early method for microstructural data analysis is presented within and is currently being expanded to include other microstructure data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1975

Developing processing techniques for Skylab data

The author has identified the following significant results. The effects of misregistration and the scan-line-straightening algorithm on multispectral data were found to be: (1) there is greatly increased misregistration in scan-line-straightening data over conic data; (2) scanner caused misregistration between any pairs of channels may not be corrected for in scan-line-straightened data; and (3) this data will have few pure field center pixels than will conic data. A program SIMSIG was developed implementing the signature simulation model. Data processing stages of the experiment were carried out, and an analysis was made of the effects of spatial misregistration on field center classification accuracy. Fifteen signatures originally used for classifying the data were analyzed, showing the following breakdown: corn (4 signatures), trees (2), brush (1), grasses, weeds, etc. (5), bare soil (1), soybeans (1), and alfalfa (1).

Nalepka, R. F.↗

NASA NTRSDate not supplied

Lowering Barriers to Science and Space Weather Research at the Community Coordinated Modeling Center (CCMC)

The Space Weather and Heliophysics research and modeling community has been pushing the limits of our ability to understand and predict space weather events. The Community Coordinated Modeling Center (CCMC, https://ccmc.gsfc.nasa.gov) supports the community by providing a convenient collaborative platform hosting space weather models, model simulation data, curated datasets of solar events, and associated value-added services. Using these services, researchers and other end-users may exercise, evaluate, and intercompare contributed models, triage designated R2O models, as well as collaborate on a continuously updated archive of model run results. We will focus on CCMC’s ongoing commitment to the principles and guidelines of the Open Science initiative. Particularly, we will discuss our work towards making our services more transparent and our library of model simulations more accessible, open, and reproducible. We will introduce our recent tools for data discovery and correlative analysis designed to further increase the value of the user-generated data and metadata. We will also present our recent work on making heliophysical models more accessible and open to the community, particularly through simplified user experience and expert domain support. We will report on our progress in establishing an inter-center infrastructure with the ESA Virtual Space Weather Modelling Centre (VSWMC), designed to cross organizational boundaries and provide streamlined access to a joint palette of the models.

space weather↗

NASA NTRS2015

Benchmark Data Set for Wheat Growth Models: Field Experiments and AgMIP Multi-Model Simulations.

The data set includes a current representative management treatment from detailed, quality-tested sentinel field experiments with wheat from four contrasting environments including Australia, The Netherlands, India and Argentina. Measurements include local daily climate data (solar radiation, maximum and minimum temperature, precipitation, surface wind, dew point temperature, relative humidity, and vapor pressure), soil characteristics, frequent growth, nitrogen in crop and soil, crop and soil water and yield components. Simulations include results from 27 wheat models and a sensitivity analysis with 26 models and 30 years (1981-2010) for each location, for elevated atmospheric CO2 and temperature changes, a heat stress sensitivity analysis at anthesis, and a sensitivity analysis with soil and crop management variations and a Global Climate Model end-century scenario.

climate change impact↗

NASA NTRS2006

Evaluating Clouds in Long-Term Cloud-Resolving Model Simulations with Observational Data

Two 20-day, continental midlatitude cases are simulated with a three-dimensional (3D) cloud-resolving model (CRM) and compared to Atmospheric Radiation Measurement (ARM) data. This evaluation of long-term cloud-resolving model simulations focuses on the evaluation of clouds and surface fluxes. All numerical experiments, as compared to observations, simulate surface precipitation well but over-predict clouds, especially in the upper troposphere. The sensitivity of cloud properties to dimensionality and other factors is studied to isolate the origins of the over prediction of clouds. Due to the difference in buoyancy damping between 2D and 3D models, surface precipitation fluctuates rapidly with time, and spurious dehumidification occurs near the tropopause in the 2D CRM. Surface fluxes from a land data assimilation system are compared with ARM observations. They are used in place of the ARM surface fluxes to test the sensitivity of simulated clouds to surface fluxes. Summertime simulations show that surface fluxes from the assimilation system bring about a better simulation of diurnal cloud variation in the lower troposphere.

Zeng, Xiping↗

NASA NTRS2009

Data Processing for Atmospheric Phase Interferometers

This paper presents a detailed discussion of calibration procedures used to analyze data recorded from a two-element atmospheric phase interferometer (API) deployed at Goldstone, California. In addition, we describe the data products derived from those measurements that can be used for site intercomparison and atmospheric modeling. Simulated data is used to demonstrate the effectiveness of the proposed algorithm and as a means for validating our procedure. A study of the effect of block size filtering is presented to justify our process for isolating atmospheric fluctuation phenomena from other system-induced effects (e.g., satellite motion, thermal drift). A simulated 24 hr interferometer phase data time series is analyzed to illustrate the step-by-step calibration procedure and desired data products.

Acosta, Roberto J.↗

DOE OSTI2021

DeepMerge – II. Building robust deep learning algorithms for merging galaxy identification across domains

In astronomy, neural networks are often trained on simulation data with the prospect of being used on telescope observations. Unfortunately, training a model on simulation data and then applying it to instrument data leads to a substantial and potentially even detrimental decrease in model accuracy on the new target dataset. Simulated and instrument data represent different data domains, and for an algorithm to work in both, domain-invariant learning is necessary. Here we employ domain adaptation techniques— Maximum Mean Discrepancy (MMD) as an additional transfer loss and Domain Adversarial Neural Networks (DANNs)— and demonstrate their viability to extract domain-invariant features within the astronomical context of classifying merging and non-merging galaxies. Additionally, we explore the use of Fisher loss and entropy minimization to enforce better in-domain class discriminability. We show that the addition of each domain adaptation technique improves the performance of a classifier when compared to conventional deep learning algorithms. We demonstrate this on two examples: between two Illustris-1 simulated datasets of distant merging galaxies, and between Illustris-1 simulated data of nearby merging galaxies and observed data from the Sloan Digital Sky Survey. The use of domain adaptation techniques in our experiments leads to an increase of target domain classification accuracy of up to ~20%. With further development, these techniques will allow astronomers to successfully implement neural network models trained on simulation data to efficiently detect and study astrophysical objects in current and future large-scale astronomical surveys.

galaxies: interactions↗

DOE OSTI2022

Biomass sorghum production in Iowa, USA

This dataset includes field measurement and model simulation data from Josh Bendorf's (former MS student with Drs. VanLoocke & Heaton, ISU Dept. of Agronomy) thesis project focusing on the simulation of biomass sorghum ( Sorghum bicolor L. Moench) in the state of Iowa. Measured field data are provided in CSV file format for 2019 & 2020. Model output files are provided as NetCDF file format for the state of Iowa (1998-2007) & the larger US region (1969-2018).

Agricultural production systems simulation↗

DOE OSTI2023

Agro-IBIS/THMB Modeled Yield, Nitrogen Loss, and Profitability Maps for the Raccoon River Basin, Iowa, USA

This data was used to assess the potential for improving water quality in this watershed when integrating miscanthus, a bioenergy perennial grass, on to areas of low profit under current corn-soybean management and areas of high nitrogen leaching under both current and future climate conditions. This dataset includes all observations (yield, streamflow, nitrogen loads) and model simulation data used from Dr. Kelsie Ferin’s (former PhD student with Dr. Andy VanLoocke, ISU Dept. of Agronomy) dissertation and publication in Global Change Biology – Bioenergy (DOI: 10.1111/gcbb.13078). Modeled output included in this dataset includes corn, soybean, and miscanthus yields, nitrogen leaching rates, net mineralization rates, land use cover fractions with and without the inclusion of miscanthus, profitability maps, additional soil property maps, and simulated streamflow and nitrogen loads near the outlet of the Raccoon River Basin (Van Meter, Iowa) for both historical and future climate conditions. This dataset includes a mixture of netCDF, .tiff, .csv, and .xlsx files. See README.pdf for more information.

Ferin, Kelsie↗

DOE OSTI2025

Characterizing in-stream turbulent flow for tidal energy converter siting in Cook Inlet, Alaska

Cook Inlet in Alaska is the most promising location for tidal energy development in the U.S. due to its significant tidal range of approximately 10 meters and high volume flux. The inlet's unique geometry and flow characteristics make it the most energetic tidal stream in the nation, with GW-scale potential energy capacity. With the growing interest in tidal energy converter (TEC) deployment in this area, we implemented a regional-scale, 3D hydrodynamic modeling framework to predict tidal current and turbulence characteristics that can assist TEC designers and project managers. We validated the model results extensively using various datasets collected with bottom-mounted acoustic Doppler current profilers and velocimeters. The comparison between the model outputs and observational data highlighted the effectiveness of the 3D FVCOM model and the Mellor-Yamada Level 2.5 Turbulence Model in accurately assessing macro-scale kinetic energy, turbulence intensity, and the production and dissipation rates at a prospective TEC site. Using two months of model simulation data, we examined the channel cross-section for TEC deployment, focusing on undisturbed power density and macro-scale turbulent properties. Further, our findings indicate that understanding the turbulence characteristics and flow properties can enhance Stage I/II resource characterization by identifying optimal locations for TECs and their layouts within the channel. Furthermore, we demonstrated that TEC designers can utilize macro-scale turbulence data from 3D coastal models as boundary conditions for other turbulence models, allowing for a more detailed resolution of the turbulence structure at TEC siting locations. Ultimately, this work emphasizes the importance of estimating flow and turbulence conditions in energetic systems to understand turbulent sites better and improve resource characterization.

16 TIDAL AND WAVE POWER↗