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At least 829 records · Page 46

Validation of Computational Fluid Dynamics Simulations for Biological Performance Assessment in Hydropower units (Final Report)

The biological performance assessment (BioPA) toolset developed by Pacific Northwest National Laboratory (PNNL) estimates the relative biological performance of fish passage at a hydroelectric power turbine unit. The tool is based on the use of computational fluid dynamics (CFD) and fish biological response relationships. The recent release, BioPA-v3, is based on directly computed trajectory and collision of material Lagrangian particles using CFD simulation codes rather than the prior version that relies on Tecplot to compute streamtrace trajectories. Before modifying the toolset, a series of validation tests were performed at the various steps of modification in the toolset. Validation is a critical step of any numerical investigation that reflects the accuracy and reliability of the predicted results. It raises the confidence level of the user to use the modified version of the BioPA toolset. Several test cases were simulated and compared, where available, to observed data. The trajectory and collision of the small spherical and cylindrical particles in a water flume were compared to in-house experiments. The CFD predicted collision rate and flow field compared well with experimental observation for vane array and large cylinder as target bodies. Next, the CFD-predicted flow field and hydraulic performance of a laboratory-scale model of a Francis turbine was also successfully validated. Note that the trajectory of the particles is significantly affected by the flow field in such extreme conditions. In addition to the particle trajectories and flow field, the collision detection method employed in the CFD simulations was also successfully validated. The CFD predicted impact velocity, collision time, velocity, and trajectory of a sphere excellently matched with analytical value for a bouncing ball in the elastic collision. A similar approach was also tested and successfully validated for a collision of sphere with a 45° inclined plane. After successfully validating different cases, the BioPA toolset was modified to use direct output of the CFD prediction and the new version can be used in evaluating biological performance at hydroelectric turbines.

13 HYDRO ENERGY↗

Observed Trend in Surface Wind Speed Over the Conterminous USA and CMIP5 Simulations

There has been no spatial surface wind map even over the conterminous USA due to the difficulty of spatial interpolation of wind field. As a result, the reanalysis data were often used to analyze the statistics of spatial pattern in surface wind speed. Unfortunately, no consistent trend in wind field was found among the available reanalysis data, and that obstructed the further analysis or projection of spatial pattern of wind speed. In this study, we developed the methodology to interpolate the observed wind speed data at weather stations using random forest algorithm. We produced the 1-km daily climate variables over the conterminous USA from 1979 to 2015. The validation using Ameriflux daily data showed that R2 is 0.59. Existing studies have found the negative trend over the Eastern US, and our study also showed same results. However, our new datasets also revealed the significant increasing trend over the southwest US especially from April to June. The trend in the southwestern US represented change or seasonal shift in North American Monsoon. Global analysis of CMIP5 data projected the decrease trend in mid-latitude, while increase trend in tropical region over the land. Most likely because of the low resolution in GCM, CMIP5 data failed to simulate the increase trend in the southwest US, even though it was qualitatively predicted that pole ward shift of anticyclone help the North American Monsoon.

simulations↗

Plasma Potential and Langmuir Probe Measurements in the Near-field Plume of the NASA-300M Hall Thruster

In order to aid in the design of high-power Hall thrusters and provide experimental validation for existing modeling efforts, plasma potential and Langmuir probe measurements were performed in the near-field plume of the NASA-300M Hall thruster. A probe array consisting of a Faraday probe, Langmuir probe, and emissive probe was used to interrogate the plume from approximately 0.1 - 2.0 mean thruster diameters downstream of the thruster exit plane at four operating conditions: 300 V, 400 V, and 500 V at 20 kW as well as 300 V at 10 kW. Results show that the acceleration zone and high-temperature region were contained within 0.3 mean thruster diameters from the exit plane at all operating conditions. Isothermal lines were shown to strongly follow magnetic field lines in the near-field, with maximum temperatures ranging from 19 - 27 eV. The electron temperature spatial distribution created large drops in measured floating potentials in front of the magnetic pole surfaces where the plasma density was low, which suggests strong sheaths at these surfaces. The data taken have provided valuable information for future design and modeling validation, and complements ongoing internal measurement efforts on the NASA-300M.

Herman, Daniel A.↗

Simultaneous measurement of specific heat and thermal conductivity in pulsed magnetic fields

Here we report an experimental setup for simultaneously measuring specific heat and thermal conductivity in feedback-controlled pulsed magnetic fields of 50 ms duration at cryogenic temperatures. A stabilized magnetic field pulse obtained by the feedback control, which dramatically improves the thermal stability of the setup and sample, is used in combination with the flash method to obtain absolute values of thermal properties up to 37.2 T in the 22–16 K temperature range. We describe the experimental setup and demonstrate the performance of the present method with measurements on single-crystal samples of the geometrically frustrated quantum spin-dimer system SrCu 2 (BO 3 ) 2 . Our proof-of-principle results show excellent agreement with data taken using a standard steady-state method, confirming the validity and convenience of the present approach.

47 OTHER INSTRUMENTATION↗

Toward Trustworthy Autonomous Science: A Two-Year Community Roadmap

One year ago, the AISLE roadmap argued that autonomous laboratories operated as isolated islands and proposed a grassroots network organized around five critical dimensions. The field has since moved faster than that roadmap anticipated: multi-agent systems have produced experimentally validated hypotheses, self-driving laboratories have grown more interoperable and orchestrated, reasoning-trained and domain foundation models have raised the capability ceiling, and the Genesis Mission has placed autonomous experimentation at the center of U.S. federal science strategy, with industry emerging as a primary actor. Progress has met a sobering counter-current, including a corrected flagship discovery result, benchmarks showing that agents which rival experts on closed-ended questions still complete only a fraction of open-ended research, and fabricated citations surfacing at leading venues. We read this as the defining tension of the field: producing a candidate discovery is no longer the hard part, but verifying it is, and this asymmetry now limits autonomous science more than raw model capability. Accordingly, we update the roadmap around seven dimensions, revisiting the original five and elevating two former cross-cutting concerns, trust, verification, and reproducibility, and safety, security, and governance, to first-class status. We assess the original milestones (M1 through M14) as achieved, partially achieved, reframed, or open, add four new milestones (M15 through M18) for the elevated dimensions, and scope the path forward to a two-year horizon, with the first year concentrating on interfaces, protocol adoption, and the scaffolding of verification, and the second targeting federation, zero-trust coordination, and governance. Throughout, we position the grassroots network as the interoperability fabric that lets national programs, international initiatives, and commercial platforms connect rather than re-silo.

99 GENERAL AND MISCELLANEOUS↗

Hypergolic oxidizer and fuel scrubber emissions

Hypergolic fuels and oxidizer are emitted to the environment during fueling and deservicing shuttle and other spacecraft. Such emissions are difficult to measure due to the intermittent purge flow and to the presence of suspended scrubber liquor. A new method for emissions monitoring was introduced in a previous paper. This paper is a summary of the results of a one-year study of shuttle launch pads and orbiter processing facilities (OPF's) which proved that emissions can be determined from field scrubbers without direct measurement of vent flow rate and hypergol concentration. This new approach is based on the scrubber efficiency, which was measured during normal operations, and on the accumulated weight of hypergol captured in the scrubber liquor, which is part of the routine monitoring data of scrubber liquors. To validate this concept, three qualification tests were performed, logs were prepared for each of 16 hypergol scrubbers at KSC, the efficiencies of KSC scrubbers were measured during normal operations, and an estimate of the annual emissions was made based on the efficiencies and the propellant buildup data. The results have confirmed that the emissions from the KSC scrubbers can be monitored by measuring the buildup of hypergol propellant in the liquor, and then using the appropriate efficiency to calculate the emissions. There was good agreement between the calculated emissions based on outlet concentration and flow rate, and the emissions calculated from the propellant buildup and efficiency. The efficiencies of 12 KSC scrubbers, measured under actual servicing operations and special test conditions, were assumed to be valid for all subsequent operations until a significant change in hardware occurred. An estimate of the total emissions from 16 scrubbers for three years showed that 0.3 kg/yr of fuel and 234 kg/yr of oxidizer were emitted.

Parrish, Clyde F.↗

SeaWiFS calibration and algorithm validation

A substantial amount of field research has been completed during this period (1 October 1994 - 31 October 1995). The applicability of different in-flight calibration methods was studied. In addition, various field instruments and new equipment were tested to appraise their usefulness during such calibration activities. The purposes and (expected) results of these field experiments are detailed in separate sections of this report. One section contains a synopsis of calibrations conducted over both land and water targets. A second section contains the results of an experiment conducted to determine the spatial uniformity of surface reflectance at Lake Tahoe, the chosen water calibration site. Advances were also made in the area of radiative transfer software development. An existing exact radiative transfer code, Successive Orders (SO), was modified to provide outputs of the radiance distribution at arbitrary altitudes above a selected calibration target. These modifications were needed to utilize the SO software in radiance-based sensor calibrations. Serious thought was given to the general applicability of various calibration techniques to calibrations conducted over water surfaces. In particular, the practicality of the radiance-based and reflectance-based methods of in-flight radiometric calibration was evaluated.

Parada, Robert J., Jr.↗

A Data-Driven Global Sensitivity Analysis Framework for Three-Phase Distribution System with PVs

Global sensitivity analysis (GSA) of distribution systems with respect to stochastic PV and load variations plays an important role in designing optimal voltage control schemes. This paper proposes a data-driven framework for GSA of distribution systems. In particular, two representative surrogate modeling-based approaches are developed, including the traditional Gaussian process-based and the analysis of variance (ANOVA) kernel ones. The key idea is to develop a surrogate model that captures the hidden global relationship between voltage and real and reactive power injections from the historical data. With the surrogate model, the Sobol indices can be conveniently calculated through either the sampling-based method or the analytical method to assess the global sensitivity of voltage to variations of PV and load power injections. The sampling-based method approximates the Sobol indices using Monte Carlo simulations while the analytical method calculates them by resorting to the ANOVA expansion framework. Comparison results with other model-based GSA methods on the unbalanced three-phase IEEE 37-bus and 123-bus distribution systems show that the proposed framework can achieve much higher computational efficiency with negligible loss of accuracy. The results on a real 240-node distribution system using actual smart meter data further validate the feasibility and scalability of the proposed framework.

14 SOLAR ENERGY↗

Bio-Optical Measurement and Modeling of the California Current and Polar Oceans

This Sensor Intercomparison and Merger for Biological and Interdisciplinary Oceanic Studies (SIMBIOS) project contract supports in situ ocean optical observations in the California Current, Southern Ocean, Indian Ocean as well as merger of other in situ data sets we have collected on various global cruises supported by separate grants or contracts. The principal goals of our research are to validate standard or experimental products through detailed bio-optical and biogeochemical measurements, and to combine ocean optical observations with advanced radiative transfer modeling to contribute to satellite vicarious radiometric calibration and advanced algorithm development. In collaboration with major oceanographic ship-based observation programs funded by various agencies (CalCOFI, US JGOFS, NOAA AMLR, INDOEX and Japan/East Sea) our SIMBIOS effort has resulted in data from diverse bio-optical provinces. For these global deployments we generate a high-quality, methodologically consistent, data set encompassing a wide-range of oceanic conditions. Global data collected in recent years have been integrated with our on-going CalCOFI database and have been used to evaluate Sea-Viewing Wide Field-of-view Sensor (SeaWiFS) algorithms and to carry out validation studies. The combined database we have assembled now comprises more than 700 stations and includes observations for the clearest oligotrophic waters, highly eutrophic blooms, red-tides and coastal case two conditions. The data has been used to validate water-leaving radiance estimated with SeaWiFS as well as bio optical algorithms for chlorophyll pigments. The comprehensive data is utilized for development of experimental algorithms (e.g., high-low latitude pigment transition, phytoplankton absorption, and cDOM).

Mitchell, B. Greg↗

De-noising drift chambers in CLAS12 using convolutional auto encoders

Modern Nuclear Physics experimental setups run experiments with higher beam intensity resulting in increased noise in detector components used for particle track reconstruction. Increased uncorrelated signals (noise) result in decreased particle reconstruction efficiency. In this paper, we investigate the usage of Machine Learning, specifically Convolutional Neural Network Auto-Encoders (CAE), for de-noising raw hits from drift chambers in the CLAS12 detector. To the best of our knowledge, this is the first time CAE is employed to perform such an operation in this field. During the de-noising phase, it is important to remove as much noise as possible while retaining the valid hits to avoid losing crucial information about the experiment. Here, we show that using CAE, it is possible to remove noise hits while retaining up to 94% of valid tracks for a beam current of 110nA while for lower beam currents (45-55nA), we get up to 98% efficiency. Studies on experimental conditions with increasing noise show that CAE performs better than conventional tracking algorithms in isolating hits belonging to tracks. Specifically, the de-noising algorithm results in tracking efficiency improvements greater than 15%, in real data production procedures with nominal conditions, and up to two times better efficiency in synthetically generated data with high luminosity conditions (90-110nA), indicating that machine learning can lead to significantly shorter times for conducting physics experiments.

97 MATHEMATICS AND COMPUTING↗

Penetration through Slots in Cylindrical Cavities Operating at Fundamental Cavity Modes in the Presence of Electromagnetic Absorbers

Placing microwave absorbing materials into a high-quality factor resonant cavity may in general reduce the large interior electromagnetic fields excited under external illumination. In this study, we aim to combine two analytical models we previously developed: 1) an unmatched formulation for frequencies below the slot resonance to model shielding effectiveness versus frequency; and 2) a perturbation model approach to estimate the quality factor of cavities in the presence of absorbers. The resulting model realizes a toolkit with which design guidelines of the absorber's properties and location can be optimized over a frequency band. Analytic predictions of shielding effectiveness for three transverse magnetic modes for various locations of the absorber placed on the inside cavity wall show good agreement with both full-wave simulations and experiments, and validate the proposed model. This analysis opens new avenues for specialized ways to mitigate harmful fields within cavities.

36 MATERIALS SCIENCE↗

Incorporating Coverage-Dependent Reaction Barriers into First-Principles-Based Microkinetic Models: Approaches and Challenges

Mean-field microkinetic models (MKMs) are appealing for their relatively facile construction, computational tractability, and high-throughput catalyst screening capabilities. As such, they will continue to be a valuable tool for materials design in heterogeneous catalysis even as the field aims to describe more complex systems. Numerous prior reports have provided the groundwork for constructing first-principles-based MKMs, including the analysis of strategies for incorporating lateral interactions into thermodynamic parameters (e.g., adsorption energies). Yet, there remains a need for concerted dialogue on methods for calculating and incorporating coverage-dependent kinetic parameters into MKMs. In this Perspective, we assess strategies for doing so, including the corresponding key physical implications and computational challenges. Here, we emphasize that decoupling thermodynamic and kinetic parameters within MKMs can violate thermodynamic consistency and risk unphysical solutions. For some reactions and catalyst materials, scaling relationships can predict coverage-dependent activation energies, but there are several exceptions evident in the literature, indicating that this approach is not universally applicable and that the field could benefit from research aimed at elucidating the limitations. Conducting high-coverage transition state searches is a rigorous but computationally costly strategy, and the effects of various methods for mitigating this cost on resulting energetics have yet to be broadly explored and validated. The goal of this Perspective is to generate discussion on and inspire focused research into the physical relevance of approaches for describing coverage-dependent reaction barriers in MKMs, including the development of computationally tractable methodologies, to advance the applicability of MKMs across diverse reaction chemistries and conditions.

36 MATERIALS SCIENCE↗

Revealing room temperature ferromagnetism in exfoliated Fe 5 GeTe 2 flakes with quantum magnetic imaging

Van der Waals (vdW) material Fe 5 GeTe 2 , with its long-range ferromagnetic ordering near room temperature, has significant potential to become an enabling platform for implementing novel spintronic and quantum devices. To pave the way for applications, it is crucial to determine the magnetic properties when the thickness of Fe 5 GeTe 2 reaches the few-layers regime. However, this is highly challenging due to the need for a characterization technique that is local, highly sensitive, artifact-free, and operational with minimal fabrication. Prior studies have indicated that Curie temperature T C can reach up to close to room temperature for exfoliated Fe 5 GeTe 2 flakes, as measured via electrical transport; there is a need to validate these results with a measurement that reveals magnetism more directly. Here, we investigate the magnetic properties of exfoliated thin flakes of vdW magnet Fe 5 GeTe 2 via quantum magnetic imaging technique based on nitrogen vacancy centers in diamond. Through imaging the stray fields, we confirm room-temperature magnetic order in Fe 5 GeTe 2 thin flakes with thickness down to 7 units cell. The stray field patterns and their response to magnetizing fields with different polarities is consistent with previously reported perpendicular easy-axis anisotropy. Furthermore, we perform imaging at different temperatures and determine the Curie temperature of the flakes at ≈300 K. These results provide the basis for realizing a room-temperature monolayer ferromagnet with Fe 5 GeTe 2 . This work also demonstrates that the imaging technique enables rapid screening of multiple flakes simultaneously as well as time-resolved imaging for monitoring time-dependent magnetic behaviors, thereby paving the way towards high throughput characterization of potential two-dimensional (2D) magnets near room temperature and providing critical insights into the evolution of domain behaviors in 2D magnets due to degradation.

2D magnet↗

An X-ray Intensity Operations Monitor (AXIOM) (Final LDRD Project Report)

The Saturn accelerator has historically lacked the capability to measure time-resolved spectra for its 3-ring bremsstrahlung x-ray source. This project aimed to create a spectrometer called AXIOM to provide this capability. The project had three major development pillars: hardware, simulation, and unfold code. The hardware consists of a ring of 24 detectors around an existing x-ray pinhole camera. The diagnostic was fielded on two shots at Saturn and over 100 shots at the TriMeV accelerator at Idaho Accelerator Center. A new Saturn x-ray environment simulation was created using measured data to validate. This simulation allows for timeresolved spectra computation to compare the experimental results. The AXIOM-Unfold code is a new parametric unfold code using modern global optimizers and uncertainty quantification. The code was written in Python, uses Gitlab version control and issue tracking, and has been developed with long term code support and maintenance in mind.

43 PARTICLE ACCELERATORS↗

Development of an upwind, finite-volume code with finite-rate chemistry

Under this grant, two numerical algorithms were developed to predict the flow of viscous, hypersonic, chemically reacting gases over three-dimensional bodies. Both algorithms take advantage of the benefits of upwind differencing, total variation diminishing techniques, and a finite-volume framework, but obtain their solution in two separate manners. The first algorithm is a zonal, time-marching scheme, and is generally used to obtain solutions in the subsonic portions of the flow field. The second algorithm is a much less expensive, space-marching scheme and can be used for the computation of the larger, supersonic portion of the flow field. Both codes compute their interface fluxes with a temporal Riemann solver and the resulting schemes are made fully implicit including the chemical source terms and boundary conditions. Strong coupling is used between the fluid dynamic, chemical, and turbulence equations. These codes have been validated on numerous hypersonic test cases and have provided excellent comparison with existing data.

Molvik, Gregory A.↗

Development of an upwind, finite-volume code with finite-rate chemistry

Under this grant, two numerical algorithms were developed to predict the flow of viscous, hypersonic, chemically reacting gases over three-dimensional bodies. Both algorithms take advantage of the benefits of upwind differencing, total variation diminishing techniques and of a finite-volume framework, but obtain their solution in two separate manners. The first algorithm is a zonal, time-marching scheme, and is generally used to obtain solutions in the subsonic portions of the flow field. The second algorithm is a much less expensive, space-marching scheme and can be used for the computation of the larger, supersonic portion of the flow field. Both codes compute their interface fluxes with a temporal Riemann solver and the resulting schemes are made fully implicit including the chemical source terms and boundary conditions. Strong coupling is used between the fluid dynamic, chemical and turbulence equations. These codes have been validated on numerous hypersonic test cases and have provided excellent comparison with existing data. This report summarizes the research that took place from August 1,1994 to January 1, 1995.

Molvik, Gregory A.↗

Introducing and Evaluating the Climate Hazards Center IMERG with Stations (CHIMES) Timely Station-Enhanced Integrated Multisatellite Retrievals for Global Precipitation Measurement

As human exposure to hydroclimatic extremes increase and the number of in situ precipitation observations declines, precipitation estimates, such as those provided by the Integrated Multisatellite Retrievals for Global Precipitation Measurement (GPM) (IMERG) mission, provide a critical source of information. Here, we present a new gauge-enhanced dataset [the Climate Hazards Center IMERG with Stations (CHIMES)] designed to support global crop and hydrologic modeling and monitoring. CHIMES enhances the IMERG Late Run product using an updated Climate Hazards Center (CHC) high-resolution climatology (CHPclim) and low-latency rain gauge observations. CHPclim differs from other products because it incorporates long-term averages of satellite precipitation, which increases CHPclim ’s fidelity in data-sparse areas with complex terrain. This fidelity translates into performance increases in unbiased IMERGlate data, which we refer to as CHIME. This is augmented with gauge observations to produce CHIMES. The CHC’s curated rain gauge archive contains valuable contributions from many countries. There are two versions of CHIMES: preliminary and final. The final product has more copious and better-curated station data. Every pentad and month, bias-adjusted IMERGlate fields are combined with gauge observations to create pentadal and monthly CHIMESprelim and CHIMESfinal. Comparisons with pentadal, high-quality gridded station data show that IMERG late performs well (r = 0.75), but has some systematic biases which can be reduced. Monthly cross-validation results indicate that unbiasing increases the variance explained from 50% to 63% and decreases the mean absolute error from 48 to 39 mm month −1. Gauge enhancement then increases the variance explained to 75%, reducing the mean absolute error to 27 mm month −1.

Chris C funk↗

Verification and Validation of Open-Source Computational Fluid Dynamics Capabilities in MOOSE

The Multiphysics Object Oriented Simulation Environment (MOOSE) advances predictive modeling in nuclear research by simplifying the application design process and making modeling more efficient and accessible to researchers and the broader community. Because of MOOSE’s critical role in the scientific computation field, verification and validation are important to evaluate the reliability and credibility of MOOSE’s code, simulations, and models. To assess MOOSE’s Navier Stokes module and turbulence models, the following verification and validation University of Manchester ERCOFTAC cases were simulated in MOOSE, and the results were compared: Case 032 Turbulent Flow in a 2D Channel Case 079 Natural Convection in an Enclosed Cavity

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗