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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Development of a Benchmark Eddy Flux Evapotranspiration Dataset for Evaluation of Satellite-Driven Evapotranspiration Models Over the CONUS

A large sample of ground-based evapotranspiration (ET) measurements made in the United States, primarily from eddy covariance systems, were post-processed to produce a benchmark ET dataset. The dataset was produced primarily to support the intercomparison and evaluation of the OpenET satellite-based remote sensing ET (RSET) models and could also be used to evaluate ET data from other models and approaches. OpenET is a web-based service that makes field-delineated and pixel-level ET estimates from well-established RSET models readily available to water managers, agricultural producers, and the public. The benchmark dataset is composed of flux and meteorological data from a variety of providers covering native vegetation and agricultural settings. Flux footprint predictions were developed for each station and included static flux footprints developed based on average wind direction and speed, as well as dynamic hourly footprints that were generated with a physically based model of upwind source area. The two footprint prediction methods were rigorously compared to evaluate their relative spatial coverage. Data from all sources were post-processed in a consistent and reproducible manner including data handling, gap-filling, temporal aggregation, and energy balance closure correction. The resulting dataset included 243,048 daily and 5,284 monthly ET values from 194 stations, with all data falling between 1995 and 2021. We assessed average daily energy imbalance using 172 flux sites with a total of 193,021 days of data, finding that overall turbulent fluxes were understated by about 12% on average relative to available energy. Multiple linear regression analyses indicated that daily average latent energy flux may be typically understated slightly more than sensible heat flux. This dataset was developed to provide a consistent reference to support evaluation of RSET data being developed for a wide range of applications related to water accounting and water resources management at field to watershed scales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Assessment of the CTF subchannel code for modeling a large-break loss-of-coolant accident reflood transient

With increased industry interest in extending reactor operating cycles, the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program has been investigating the behavior of high-burnup fuel during design basis accidents such as the large-break loss-of-coolant accident (LBLOCA) with consideration for risk of fuel fragmentation, relocation, and dispersal (FFRD). As part of that activity, the NEAMS subchannel thermal/ hydraulics (T/H) code, CTF, is being used for modeling of LBLOCA and to determine the impact of subchannel resolution on results. Although CTF includes a wide range of models for LBLOCA conditions, the code has not been used for this application while maintained at Oak Ridge National Laboratory (ORNL) until now. Therefore, here, in this work, a preliminary assessment of several of these models was performed using openly available reflood experimental data from the Flooding Experiments in Blocked Arrays (FEBA) tests. One coarse mesh and one fine mesh model were set up in CTF for high and low flooding rate tests performed in the unblocked FEBA facility. A coarse TRACE model was set up to be as consistent as possible with the coarse CTF model to allow for code-to-code benchmarking. The assessment shows a tendency of the codes to over-predict peak cladding temperature (PCT) near the top of the bundle and to quench early. Advanced spacer grid models were shown to improve upper bundle predictions in CTF. The resolved CTF model over-predicted PCT by a larger degree in the center channels in the low-flooding rate test, and it is believed that the radiative heat transfer model, which was not used in this study, may be needed to correct this over-prediction. Finally, this work demonstrates the importance of the droplet model in determining quench time and vapor temperature and PCT prediction, which necessitates a more in-depth validation of these models in the future.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Blowing Snow at McMurdo Station, Antarctica During the AWARE Field Campaign: Multi-Instrument Observations of Blowing Snow

In polar regions, blowing snow (BLSN) can play a substantial role in regional thermodynamics and radiation properties. The extent of the impact depends upon the depth of the BLSN layer, a property that is difficult to measure and not well understood. The West Antarctic Radiation Experiment (AWARE) Field Campaign saw the deployment of a large suite of observational instruments to McMurdo Station, Antarctica, allowing for in-depth investigation of BLSN. During the year of the campaign, BLSN occurred ~7.4% of the time. In this study, additional remote sensing observations are used to supplement an existing ceilometer-based BLSN characterization algorithm creating a multi-instrument (MI) depth estimation algorithm to yield layer depths with more certainty. Backscatter coefficient and linear depolarization ratios from the micropulse and high spectral resolution lidar (HSRL) are incorporated along with color ratio derived from HSRL backscatter and Ka-band radar reflectivity observations. This provided estimates of BLSN depth that were less impacted by noise/artifacts in any one set of observations. When applied to the data from AWARE, the MI algorithm yielded an average depth of 168.2 m with ~60% of plumes less than 200 m in depth. Events occurring with precipitation saw the most value in the additional instruments, with the suite of observations allowing for more separation of BLSN particles from fallstreaks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Search for singly produced vectorlike top partners in multilepton final states with 139 fb −1 of 𝑝⁢𝑝 collision data at √𝑠 =13 TeV with the ATLAS detector

A search for the single production of a vectorlike top partner (𝑇) with mass greater than 1 TeV decaying into a 𝑍 boson and a top quark is presented, using the full Run 2 dataset corresponding to 139 fb −1 of 𝑝⁢𝑝 collisions at √𝑠 =13 TeV, collected in 2015–2018 with the ATLAS detector at the Large Hadron Collider. The targeted final state is characterized by the presence of a pair of electrons or muons with opposite-sign charges which form a 𝑍-boson candidate, as well as by the presence of 𝑏-tagged jets and forward jets. Events with exactly two or at least three leptons are categorized into two independently optimized analysis channels. No significant excess above the background expectation is observed and the results from the two channels are statistically combined to set exclusion limits at 95% confidence level on the masses and couplings of 𝑇. The results are interpreted in several benchmark scenarios to set limits on the mass and universal coupling strength (𝜅) of the vectorlike quark. For singlet 𝑇 quarks, 𝜅 values between 0.22 and 0.64 are excluded for masses between 1000 and 1975 GeV. For 𝑇 quarks in the doublet scenario, where the production cross section is much lower, 𝜅 values between 0.54 and 0.88 are excluded for masses between 1000 and 1425 GeV.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Search for long-lived charginos based on a disappearing-track signature using 136 fb -1 of pp collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for long-lived charginos produced either directly or in the cascade decay of heavy prompt gluino states is presented. The search is based on proton–proton collision data collected at a centre-of-mass energy of $\sqrt{s}$ = 13 TeV between 2015 and 2018 with the ATLAS detector at the LHC, corresponding to an integrated luminosity of 136 fb -1 . Long-lived charginos are characterised by a distinct signature of a short and then disappearing track, and are reconstructed using at least four measurements in the ATLAS pixel detector, with no subsequent measurements in the silicon-microstrip tracking volume nor any associated energy deposits in the calorimeter. The final state is complemented by a large missing transverse-momentum requirement for triggering purposes and at least one high-transverse-momentum jet. No excess above the expected backgrounds is observed. Exclusion limits are set at 95% confidence level on the masses of the chargino and gluino for different chargino lifetimes. Chargino masses up to 660 (210) GeV are excluded in scenarios where the chargino is a pure wino (higgsino). For charginos produced during the cascade decay of a heavy gluino, gluinos with masses below 2.1 TeV are excluded for a chargino mass of 300 GeV and a lifetime of 0.2 ns.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Physiological Characterization of Language Comprehension

In this project, our goal was to develop methods that would allow us to make accurate predictions about individual differences in human cognition. Understanding such differences is important for maximizing human and human-system performance. There is a large body of research on individual differences in the academic literature. Unfortunately, it is often difficult to connect this literature to applied problems, where we must predict how specific people will perform or process information. In an effort to bridge this gap, we set out to answer the question: can we train a model to make predictions about which people understand which languages? We chose language processing as our domain of interest because of the well- characterized differences in neural processing that occur when people are presented with linguistic stimuli that they do or do not understand. Although our original plan to conduct several electroencephalography (EEG) studies was disrupted by the COVID-19 pandemic, we were able to collect data from one EEG study and a series of behavioral experiments in which data were collected online. The results of this project indicate that machine learning tools can make reasonably accurate predictions about an individual?s proficiency in different languages, using EEG data or behavioral data alone.

42 ENGINEERING↗
DOE OSTI2021

Data Analysis of Energy Code Compliance in Commercial Buildings

What percent of newly constructed commercial buildings comply with the energy code? How much energy and cost could be saved if the compliance increased? Which code requirements have both low compliance rates and high savings potential? These are the questions U.S. Department of Energy (DOE) is trying to answer through its Commercial Energy Code Field Study. Previous commercial studies have been very limited and did not result in a widely accepted and tested methodology. DOE’s goal is to create a standardized methodology that can produce actionable results at a reasonable study cost, that can be used by state and local governments and utilities and provides valuable information to policy makers. The field study team implemented the pilot methodology, compiling a data set of 230 office and retail buildings in two climate zones. The approach is based on identifying lost savings on a total energy cost basis rather than simply counting the quantity of measures that do not meet code. This report is focused on the analysis of the collected data. The primary goal was to analyze the data collected during the field study and determine the actual energy cost impact of each measure in a non-compliance situation. The energy impact results allowed for ranking the measures to identify which have the highest potential for lost savings. These results combined with the time required to verify each measure will allow future compliance verification to focus on measures that had a large impact on energy use over the life of the building and those that have the greatest savings recovery potential per verification hour.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Data Analysis of Energy Code Compliance in Commercial Buildings (Rev. 1)

What percent of newly constructed commercial buildings comply with the energy code? How much energy and cost could be saved if the compliance increased? Which code requirements have both low compliance rates and high savings potential? These are the questions U.S. Department of Energy (DOE) is trying to answer through its Commercial Energy Code Field Study. Previous commercial studies have been very limited and did not result in a widely accepted and tested methodology. DOE’s goal is to create a standardized methodology that can produce actionable results at a reasonable study cost, that can be used by state and local governments and utilities and provides valuable information to policy makers. The field study team implemented the pilot methodology, compiling a data set of 230 office and retail buildings in two climate zones. The approach is based on identifying lost savings on a total energy cost basis rather than simply counting the quantity of measures that do not meet code. This report is focused on the analysis of the collected data. The primary goal was to analyze the data collected during the field study and determine the actual energy cost impact of each measure in a non-compliance situation. The energy impact results allowed for ranking the measures to identify which have the highest potential for lost savings. These results combined with the time required to verify each measure will allow future compliance verification to focus on measures that had a large impact on energy use over the life of the building and those that have the greatest savings recovery potential per verification hour.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Transcriptomics-Based Points of Departure for Daphnia magna Exposed to 18 Per- and Polyfluoroalkyl Substances

Here, per- and polyfluoroalkyl substances (PFAS) represent a large group of contaminants of concern based on their widespread use, environmental persistence, and potential toxicity. Many traditional models for estimating toxicity, bioaccumulation, and other toxicological properties are not well suited for PFAS. Consequently, there is a need to generate hazard information for PFAS in an efficient and cost-effective manner. In the present study, Daphnia magna were exposed to multiple concentrations of 22 different PFAS for 24 h, in 96-well plate format. Following exposure, whole body RNA was extracted and extracts, each representing five exposed individuals, were subjected to RNA sequencing. Following analytical measurements to verify PFAS exposure concentrations, and quality control on processed cDNA libraries for sequencing, concentration-response modeling was applied to the data sets for 18 of the tested compounds, and the concentration at which a concerted molecular response occurred (transcriptomic point of departure; tPOD) was calculated. The tPODs, based on measured concentrations of PFAS, generally ranged from 0.03-0.58 µM (9.9-350 µg/L; interquartile range). In most cases, these concentrations were two orders of magnitude lower than similarly calculated tPODs for human cell lines exposed to PFAS. They were also lower than apical effect concentrations reported for seven PFAS for which some crustacean or invertebrate toxicity data were available, although there were a few exceptions. Despite being lower than most other available hazard benchmarks, Daphnia magna tPODs were, on average, four orders of magnitude greater than the maximum aqueous concentrations of PFAS measured in Great Lakes tributaries. Overall, this high throughput transcriptomics assay with Daphnia magna holds promise as a component of a tiered hazard evaluation strategy employing new approach methodologies.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Search for excited $τ$-leptons and leptoquarks in the final state with $τ$-leptons and jets in pp collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search is reported for excited $τ$-leptons and leptoquarks in events with two hadronically decaying $τ$-leptons and two or more jets. The search uses proton-proton ($pp$) collision data at $\sqrt{s}$ = 13 TeV recorded by the ATLAS experiment during the Run 2 of the Large Hadron Collider in 2015–2018. The total integrated luminosity is 139 fb -1 . The excited $τ$-lepton is assumed to be produced and to decay via a four-fermion contact interaction into an ordinary $τ$-lepton and a quark-antiquark pair. The leptoquarks are assumed to be produced in pairs via the strong interaction, and each leptoquark is assumed to couple to a charm or lighter quark and a $τ$-lepton. No excess over the background prediction is observed. Excited $τ$-leptons with masses below 2.8 TeV are excluded at 95% CL in scenarios with the contact interaction scale Λ set to 10 TeV. At the extreme limit of model validity where Λ is set equal to the excited $τ$-lepton mass, excited $τ$-leptons with masses below 4.6 TeV are excluded. Leptoquarks with masses below 1.3 TeV are excluded at 95% CL if their branching ratio to a charm quark and a $τ$-lepton equals 1. The analysis does not exploit flavour-tagging in the signal region.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Process-structure-property considerations for wire-based directed energy deposition of Ti-6Al-4V

Directed energy deposition (DED) is an attractive additive manufacturing (AM) process for large structural components. The rapid solidification and layer-by-layer process associated with DED results in non-ideal microstructures, such as large grains with strong crystallographic textures. These non-ideal microstructures can lead to severe anisotropy in the mechanical properties. Despite these challenges, DED has been identified as a potential solution for the manufacturing of near net shape Ti-6Al-4V preforms, replacing lost casting and forging capabilities. Two popular wire-based directed energy deposition (W-DED) processes were considered for the manufacturing of Ti-6Al-4V with assessments on their respective metallurgical and mechanical properties, as compared to a conventionally processed material. The two W-DED processes explored were wire arc additive manufacturing (WAAM) and electron beam additive manufacturing (EBAM). High throughput inspection and tensile testing procedures were utilized to generate statistically relevant data sets related to each process and sample orientation. The 2 AM technologies produced material with remarkably different microstructures and mechanical properties. Importantly, results revealed key differences in strength and ductility for the two disparate processes which were found to be related to differences in the metallurgical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Multi-resolution partial differential equations preserved learning framework for spatiotemporal dynamics

Traditional data-driven deep learning models often struggle with high training costs, error accumulation, and poor generalizability in complex physical processes. Physics-informed deep learning (PiDL) addresses these challenges by incorporating physical principles into the model. Most PiDL approaches regularize training by embedding governing equations into the loss function, yet this depends heavily on extensive hyperparameter tuning to weigh each loss term. To this end, we propose to leverage physics prior knowledge by “baking” the discretized governing equations into the neural network architecture via the connection between the partial differential equations (PDE) operators and network structures, resulting in a PDE-preserved neural network (PPNN). This method, embedding discretized PDEs through convolutional residual networks in a multi-resolution setting, largely improves the generalizability and long-term prediction accuracy, outperforming conventional black-box models. The effectiveness and merit of the proposed methods have been demonstrated across various spatiotemporal dynamical systems governed by spatiotemporal PDEs, including reaction-diffusion, Burgers’, and Navier-Stokes equations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Gamma-ray burst data strongly favour the three-parameter fundamental plane (Dainotti) correlation over the two-parameter one

ABSTRACT Gamma-ray bursts (GRBs), observed to redshift z = 9.4, are potential probes of the largely unexplored z ∼ 2.7–9.4 part of the early Universe. Thus, finding relevant relations among GRB physical properties is crucial. We find that the Platinum GRB data compilation, with 50 long GRBs (with relatively flat plateaus and no flares) in the redshift range 0.553 ≤ z ≤ 5.0, and the LGRB95 data compilation, with 95 long GRBs in 0.297 ≤ z ≤ 9.4, as well as the 145 GRB combination of the two, strongly favour the 3D Fundamental Plane (Dainotti) correlation (between the peak prompt luminosity, the luminosity at the end of the plateau emission, and its rest-frame duration) over the 2D one (between the luminosity at the end of the plateau emission and its duration). The 3D Dainotti correlations in the three data sets are standardizable. We find that while LGRB95 data have ∼50 per cent larger intrinsic scatter parameter values than the better-quality Platinum data, they provide somewhat tighter constraints on cosmological-model and GRB-correlation parameters, perhaps solely due to the larger number of data points, 95 versus 50. This suggests that when compiling GRB data for the purpose of constraining cosmological parameters, given the quality of current GRB data, intrinsic scatter parameter reduction must be balanced against reduced sample size.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Use of the lignocellulose-degrading bacterium Caldicellulosiruptor bescii to assess recalcitrance and conversion of wild-type and transgenic poplar

Abstract Background Biological conversion of lignocellulosic biomass is significantly hindered by feedstock recalcitrance, which is typically assessed through an enzymatic digestion assay, often preceded by a thermal and/or chemical pretreatment. Here, we assay 17 lines of unpretreated transgenic black cottonwood ( Populus trichocarpa ) utilizing a lignocellulose-degrading, metabolically engineered bacterium, Caldicellulosiruptor bescii . The poplar lines were assessed by incubation with an engineered C. bescii strain that solubilized and converted the hexose and pentose carbohydrates to ethanol and acetate. The resulting fermentation titer and biomass solubilization were then utilized as a measure of biomass recalcitrance and compared to data previously reported on the transgenic poplar samples. Results Of the 17 transgenic poplar lines examined with C. bescii , a wide variation in solubilization and fermentation titer was observed. While the wild type poplar control demonstrated relatively high recalcitrance with a total solubilization of only 20% and a fermentation titer of 7.3 mM, the transgenic lines resulted in solubilization ranging from 15 to 79% and fermentation titers from 6.8 to 29.6 mM. Additionally, a strong inverse correlation ( R 2 = 0.8) between conversion efficiency and lignin content was observed with lower lignin samples more easily converted and solubilized by C. bescii . Conclusions Feedstock recalcitrance can be significantly reduced with transgenic plants, but finding the correct modification may require a large sample set to identify the most advantageous genetic modifications for the feedstock. Utilizing C. bescii as a screening assay for recalcitrance, poplar lines with down-regulation of coumarate 3-hydroxylase 3 (C3H3) resulted in the highest degrees of solubilization and conversion by C. bescii . One such line, with a growth phenotype similar to the wild-type, generated more than three times the fermentation products of the wild-type poplar control, suggesting that excellent digestibility can be achieved without compromising fitness of the tree.

09 BIOMASS FUELS↗
DOE OSTI2020

PETSc Users Manual (Rev. 3.13)

This manual describes the use of PETSc for the numerical solution of partial differential equations and related problems on high-performance computers. The Portable, Extensible Toolkit for Scientific Computation (PETSc) is a suite of data structures and routines that provide the building blocks for the implementation of large-scale application codes on parallel (and serial) computers. PETSc uses the MPI standard for all message-passing communication. PETSc includes an expanding suite of parallel linear solvers, nonlinear solvers, and time integrators that may be used in application codes written in Fortran, C, C++, and Python. PETSc provides many of the mechanisms needed within parallel application codes, such as parallel matrix and vector assembly routines. The library is organized hierarchically, enabling users to employ the level of abstraction that is most appropriate for a particular problem. By using techniques of object-oriented programming, PETSc provides enormous flexibility for users. PETSc is a sophisticated set of software tools; as such, for some users it initially has a much steeper learning curve than a simple subroutine library. In particular, for individuals without some computer science background, experience programming in C, C++, python, or Fortran and experience using a debugger such as gdb or dbx, it may require a significant amount of time to take full advantage of the features that enable efficient software use. However, the power of the PETSc design and the algorithms it incorporates may make the efficient implementation of many application codes simpler than \rolling them" yourself.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

On the Compatibility of Ground-based and Space-based Data: WASP-96 b, an Example

The study of exoplanetary atmospheres relies on detecting minute changes in the transit depth at different wavelengths. To date, a number of ground- and space-based instruments have been used to obtain transmission spectra of exoplanets in different spectral bands. One common practice is to combine observations from different instruments in order to achieve a broader wavelength coverage. We present here two inconsistent observations of WASP-96 b, one by the Hubble Space Telescope (HST) and the other by the Very Large Telescope (VLT). We present two key findings in our investigation: (1) a strong water signature is detected via the HST WFC3 observations and (2) a notable offset in transit depth (>1100 ppm) can be seen when the ground-based and space-based observations are combined. The discrepancy raises the question of whether observations from different instruments could indeed be combined. We attempt to align the observations by including an additional parameter in our retrieval studies but are unable to definitively ascertain that the aligned observations are indeed compatible. The case of WASP-96 b signals that compatibility of instruments should not be assumed. While wavelength overlaps between instruments can help, it should be noted that combining data sets remains risky business. The difficulty of combining observations also strengthens the need for next-generation instruments that possess broader spectral coverage.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Design of a robot-automated flat plate/reflection geometry x-ray diffraction setup for accelerated materials discovery and structural screening

Here, we report the design, construction, and automation of a flat plate sample loading, alignment, and data acquisition system for X-ray diffraction measurements in reflection geometry implemented at the Stanford Synchrotron Radiation Lightsource. The system is built onto a single platform, enabling facile transferability, and is compartmentalized into sample storage, sample transfer, and sample position/alignment segments. The core feature of this system is a six-axis robotic arm that offers a large range of highly reproducible and programable movements. The degrees of freedom of the robot arm enable adaptability in which movements can be modified to fit various beamline environments and sample configurations. Samples are housed on 3D printed sample mounts, which are arranged onto a 6 × 2 array of sample cassettes capable of holding 7 samples. Using sample mounts designed for solid oxide electrolysis button cells (SOECs), the maximum tray capacity is 84 samples, which can be aligned and run in ~ 24 hours with long exposure scans. The sample array is additionally capable of accommodating a range of sample sizes and geometries due to the rapid 3D printed fabrication. The components of the setup will be described in detail and performance will be demonstrated with a set of representative SOEC and XRD standard samples. Opportunities for future developments and integration with the automated setup are summarized.

08 HYDROGEN↗