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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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At least 73 records · Page 4

MRT 7365 Power flow physics and key physics phenomena: EMPIRE verification suite

This milestone work baselines electromagnetic particle-in-cell capability of the EMPIRE plasma simulation code to model key processes germane to the physics of electrode plasmas arising in magnetically-insulated transmission lines operating at or near 20 MA. This evaluation is done so through the provision of benchmark verification problems designed to exercise the individual and combined physics models on a small-scale surrogate geometry for the final-feed-to-load region of the Z accelerator under representative operating conditions. In this report, we overview our test designs, and present a portfolio of simulation results along with performance assessments which altogether establish state-of-the-art. In particular, two main verification categories are covered this report: (1) Z-relevant desorption physics (Temkin isotherm), and (2) two approaches to simulate electrode plasma creation and dynamics (automatic creation versus self-consistent creation through direct simulation Monte Carlo collisions).

43 PARTICLE ACCELERATORS↗

OECD/NEA COUPLED NEUTRONIC/THERMAL-FLUIDS BENCHMARK OF THE MHTGR-350 MW CORE DESIGN: RESULTS FOR PHASE-I EXERCISE 1

This report presents the results from code-to-code comparisons for a prismatic modular high-temperature gas-cooled reactor 350-MW design for steady-state neutron transport calculations. Integral parameters as well as power and flux distributions are provided. Differences between solutions from diffusion and transport operators are analysed. Effects of control rod homogenization between full block and one sixth block are discussed.

42 ENGINEERING↗

Atmospheric Correction Inter-comparison eXercise, ACIX-II Land: An Assessment of Amospheric Correction Processors for Landsat 8 and Sentinel-2 Over Land

The correction of the atmospheric effects on optical satellite images is essential for quantitative and multi-temporal remote sensing applications. In order to study the performance of the state-of-the-art methods in an integrated way, a voluntary and open-access benchmark Atmospheric Correction Inter-comparison eXercise (ACIX) was initiated in 2016 in the frame of Committee on Earth Observation Satellites (CEOS) Working Group on Calibration & Validation (WGCV). The first exercise was extended in a second edition wherein twelve atmospheric correction (AC) processors, a substantially larger testing dataset and additional validation metrics were involved. The sites for the inter-comparison analysis were defined by investigating the full catalogue of the Aerosol Robotic Network (AERONET) sites for coincident measurements with satellites' overpass. Although there were more than one hundred sites for Copernicus Sentinel-2 and Landsat 8 acquisitions, the analysis presented in this paper concerns only the common matchups amongst all processors, reducing the number to 79 and 62 sites respectively. Aerosol Optical Depth (AOD) and Water Vapour (WV) retrievals were consequently validated based on the available AERONET observations. The processors mostly succeeded in retrieving AOD for relatively light to medium aerosol loading (AOD < 0.2) with uncertainties <0.08, while the overall uncertainty values were typically 0.23 ± 0.15. Better performances were observed for WV retrievals with >90% of the results falling within the suggested empirical specifications and with the Root Mean Square Error (RMSE) being mostly <0.25 g/cm2. Regarding Surface Reflectance (SR) validation two main approaches were followed. For the first one, a simulated SR reference dataset was computed over all of the test sites by using the 6SV (Second Simulation of the Satellite Signal in the Solar Spectrum vector code) full radiative transfer modelling (RTM) and AERONET measurements for the required aerosol variables and water vapour content. The performance assessment demonstrated that the retrievals were not biased for most of the bands. The uncertainties ranged from approximately 0.003 to 0.01 (excluding B01) for the best performing processors in both sensors' analyses. For the second one, measurements from the radiometric calibration network RadCalNet over La Crau (France) and Gobabeb (Namibia) were involved in the validation. The performance of the processors was in general consistent across all bands for both sensors and with low standard deviations (<0.04) between on-site and estimated surface reflectance. Overall, our study provides a good insight of AC algorithms' performance to developers and users, pointing out similarities and differences for AOD, WV and SR retrievals. Such validation though still lacks of ground-based measurements of known uncertainty to better assess and characterize the uncertainties in SR retrievals.

Atmospheric correction↗

Issue Summary of INL Phase IV Transient Results for IAEA CRP on HTGR UAM Benchmark

This report details the Parallel and Highly Innovative Simulation for Idaho National Laboratory (INL) Code System (PHISICS)/Reactor Excursions and Leak Analysis Program (RELAP5)-3D results obtained for the transient core exercises defined for Phase IV of the International Atomic Energy Agency (IAEA) Coordinated Research Project (CRP) on high-temperature gas cooled reactor (HTGR) uncertainty analysis in modeling (UAM). The Phase III models and results are linked to the earlier Standardized Computer Analyses for Licensing Evaluation (SCALE)/Sampler/New ESC-based Weighting Transport (NEWT) data generated for the lattice physics (lattice) stage Phase I of the CRP. The focus of this report is the Uncertainty/Sensitivity Assessment (U/SA) of the prismatic modular high-temperature gas cooled reactor (MHTGR)-350 design, and specifically for Exercises IV-1 and IV-2 of the benchmark: the Control Rod Withdrawal (CRW) and Pressurised Loss of Cooling (PLOFC) events. The statistical U/SA methodology is implemented and demonstrated using the RAVEN code, based on perturbed cross-section libraries obtained from the SCALE/Sampler sequence. Uncertainties in nuclear data (cross-sections and the average number of neutrons produced per fission, 235U[¯v ]) lead to standard deviations (uncertainties of one s) of approximately 0.5% in the core eigenvalues of the MHTGR-350 and core models. For the coupled neutronics/thermal fluid model, local power density uncertainties up to 3.6% were observed in the colder regions of the core, while the local maximum fuel temperature uncertainties reached 1.5% for the models that included thermal fluid uncertainties. The addition of thermal fluid uncertainties dominated the impacts of nuclear data uncertainties in all cases. The main contributors to uncertainties in the power density and fuel temperatures during the transients were uncertainties in the reactor operating conditions (total power, inlet mass flow rate and inlet gas temperature). Variations in the bypass flows did not have significant impact on any of the output variables. For the nuclear data uncertainties it was found that the 235U(¯v ) / 235U(¯v ) covariance produced the largest sensitivities in terms of its impact on the eigenvalue and peak reactor power. It was also observed that the impact of any nuclear data uncertainties on the maximum fuel temperature was much less significant that the impact on eigenvalue and power. Another important finding was that although the use of eight or more energy groups is recommended for best-estimate HTGR simulation, two-group models produced acceptable uncertainty and sensitivity results for most FOMs. Since the statistical U/SA methodology is computationally expensive, and most transient solver requirements will scale directly with the number of energy groups, two energy groups could be used by HTGR developers during the early stages of design when larger uncertainty margins can be tolerated.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

On local total strain redistribution using a simplified cyclic inelastic analysis based on an elastic solution

Strain redistribution corrections were developed for a simplified inelastic analysis procedure to economically calculate material cyclic response at the critical location of a structure for life prediction purposes. The method was based on the assumption that the plastic region in the structure is local and the total strain history required for input can be defined from elastic finite element analyses. Cyclic stress-strain behavior was represented by a bilinear kinematic hardening model. The simplified procedure has been found to predict stress-strain response with reasonable accuracy for thermally cycled problems but needs improvement for mechanically load cycled problems. This study derived and incorporated Neuber type corrections in the simplified procedure to account for local total strain redistribution under cyclic mechanical loading. The corrected simplified method was exercised on a mechanically load cycled benchmark notched plate problem. Excellent agreement was found between the predicted material response and nonlinear finite element solutions for the problem. The simplified analysis computer program used 0.3 percent of the CPU time required for a nonlinear finite element analysis.

Hwang, S. Y.↗

On local total strain redistribution using a simplified cyclic inelastic analysis based on an elastic solution

Strain redistribution corrections were developed for a simplified inelastic analysis procedure to economically calculate material cyclic response at the critical location of a structure for life prediction purposes. The method was based on the assumption that the plastic region in the structure is local and the total strain history required for input can be defined from elastic finite element analyses. Cyclic stress-strain behavior was represented by a bilinear kinematic hardening model. The simplified procedure has been found to predict stress-strain response with reasonable accuracy for thermally cycled problems but needs improvement for mechanically load cycled problems. This study derived and incorporated Neuber type corrections in the simplified procedure to account for local total strain redistribution under cyclic mechanical loading. The corrected simplified method was exercised on a mechanically load cycled benchmark notched plate problem. Excellent agreement was found between the predicted material response and nonlinear finite element solutions for the problem. The simplified analysis computer program used 0.3 percent of the CPU time required for a nonlinear finite element analysis.

Hwang, S. Y.↗

Cyclic creep analysis from elastic finite-element solutions

A uniaxial approach was developed for calculating cyclic creep and stress relaxation at the critical location of a structure subjected to cyclic thermomechanical loading. This approach was incorporated into a simplified analytical procedure for predicting the stress-strain history at a crack initiation site for life prediction purposes. An elastic finite-element solution for the problem was used as input for the simplified procedure. The creep analysis includes a self-adaptive time incrementing scheme. Cumulative creep is the sum of the initial creep, the recovery from the stress relaxation and the incremental creep. The simplified analysis was exercised for four cases involving a benchmark notched plate problem. Comparisons were made with elastic-plastic-creep solutions for these cases using the MARC nonlinear finite-element computer code.

Kaufman, A.↗

Validation of Oregon State University High Temperature Test Facility Experiments Using Pronghorn

The OSU High Temperature Test Facility is a quarter-scale diameter, 1/64 scale volume test facility meant to replicate thermophysical phenomena in the prototypical General Atomics Modular High Temperature Gas Reactor. Tests pertaining to conduction cooldown events were performed from 2016-2019, providing a large database by which computational methods that are applicable to different length scales can be validated. One of these codes is Pronghorn, which is a coarse-meshed, porous-based subchannel thermal hydraulics code based on the MOOSE application, with the intention of better capturing the physics of both conduction and convection heat transfer within the OSU HTTF core. The goal of this summer project is to develop the framework by which Pronghorn can perform validation exercises of the HTTF core for benchmarking, by generating a mesh appropriate to the geometry of the HTTF core, developing input decks that accurately capture the initial and boundary conditions, materials, and relevant equations to the physics seen in the HTTF core, and using a postprocessor to compare simulation results to various experimental data. While validation of codes is a multi-year project, a mesh has been generated and tested in Pronghorn that meets mass conservation and basic heat transfer principles. The next step is to accurate depict the fluid inlet and outlet boundary conditions, which will be performed using computational fluid dynamics software.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

El Agente: An autonomous agent for quantum chemistry

Computational chemistry tools are widely used to study the behavior of chemical phenomena. Yet, the complexity of these tools can make them inaccessible to non-specialists and challenging even for experts. In this work, we introduce El Agente Q, an LLM-based multi-agent system that dynamically generates and executes quantum chemistry workflows from natural language user prompts. The system is built on a novel cognitive architecture featuring a hierarchical memory framework that enables flexible task decomposition, adaptive tool selection, post-analysis, and autonomous file handling and submission. El Agente Q is benchmarked on six university-level course exercises and two case studies, demonstrating robust problem-solving performance (averaging >87% task success) and adaptive error handling through in situ debugging. It also supports longer-term, multi-step task execution for more complex workflows, while maintaining transparency through detailed action trace logs. Together, these capabilities lay the foundation for increasingly autonomous and accessible quantum chemistry.

agentic systems↗

Final Report on Predictive Analyses of PRD as Function of Anomalies

This report summarizes the work completed in FY-2024 to analyze the power reactivity decrement (PRD) concepts of the ARC-100 core. The PRD has been traditionally defined by the reactivity change from a hot zero power (HZP) to a particular power. Consequently, the PRD accounts for the core reactivity changes due to increase coolant temperature gradient axially and radially across the core, and increased fuel temperature. The coolant temperature gradient leads to sodium and structure density changes, to radial core expansion from assembly flowering and bowing (due to axial and radial temperature gradients within the assemblies), and to control rod driveline thermal expansion. The fuel temperature increase associated with coolant temperature and power increases leads to Doppler effect and axial thermal expansion. In this work, the normal operating Hot Full Power (HFP) state is the only power level of interest, so analyses focus on the PRD calculated from HZP to HFP. The PRD has been used to assess the reactor safety features asymptotically in unprotected accident scenarios, including the loss of heat sink (LOHS), loss of flow (LOF), and transient overpower (TOP) without scram. The PRD concept relies on the “global” reactivity coefficients A, B, and C that are estimated based on “individual” reactivity effects (Doppler, sodium density, etc.). The objectives of this work are: 1) to improve and verify the methodology used to calculate the ABC coefficients used in the PRD, 2) to assess if the PRD can be used to reliably identify abnormal events. This report fulfills the FY-2024 scope of WBS#1.15.8.3 activity, “ANL0120 – Predictive Analyses of PRD as function of deformation”. The PRD concept is described in Sections 2. Additional effort in refining the methodology for core bowing modeling is performed in Sections 3. Then, two verification exercises are proposed in Section 4 to benchmark these coefficients based on direct neutronic-only calculations and on dynamic core transient simulations. Finally, the PRD approach is assessed for the detection of several unexpected events, such as primary flow perturbation or improper fuel loading, in Section 5.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

An Assessment of Current Fan Noise Prediction Capability

In this paper, the results of an extensive assessment exercise carried out to establish the current state of the art for predicting fan noise at NASA are presented. Representative codes in the empirical, analytical, and computational categories were exercised and assessed against a set of benchmark acoustic data obtained from wind tunnel tests of three model scale fans. The chosen codes were ANOPP, representing an empirical capability, RSI, representing an analytical capability, and LINFLUX, representing a computational aeroacoustics capability. The selected benchmark fans cover a wide range of fan pressure ratios and fan tip speeds, and are representative of modern turbofan engine designs. The assessment results indicate that the ANOPP code can predict fan noise spectrum to within 4 dB of the measurement uncertainty band on a third-octave basis for the low and moderate tip speed fans except at extreme aft emission angles. The RSI code can predict fan broadband noise spectrum to within 1.5 dB of experimental uncertainty band provided the rotor-only contribution is taken into account. The LINFLUX code can predict interaction tone power levels to within experimental uncertainties at low and moderate fan tip speeds, but could deviate by as much as 6.5 dB outside the experimental uncertainty band at the highest tip speeds in some case.

Envia, Edmane↗

Biomechanical Modeling of the Deadlift Exercise to Improve the Efficacy of Resistive Exercise Microgravity Countermeasures

During long-duration spaceflight missions, astronauts exposure to microgravity without adequate countermeasures can result in losses of muscular strength and endurance, as well as loss of bone mass. As a countermeasure to this challenge, astronauts engage in resistive exercise during spaceflight to maintain their musculoskeletal function. The Hybrid Ultimate Lifting Kit (HULK) has been designed as a prototype exercise device for an exploration-class vehicle; the HULK features a much smaller footprint than previous devices such as the Advanced Resistive Exercise Device (ARED) on the International Space Station (ISS), which makes the HULK suitable for extended spaceflight missions in vehicles with limited volume. As current ISS exercise countermeasure equipment represents an improvement over previous generations of such devices, the ARED is being employed as a benchmark of functional performance. This project involves the development of a biomechanical model of the deadlift exercise, and is novel in that it is the first exercise analyzed in this context to include the upper limbs in the loading path, in contrast to the squat, single-leg squat, and heel raise exercises also being modeled by our team. OpenSim software is employed to develop these biomechanical models of humans performing resistive exercises to assess and improve the new exercise device designs. Analyses include determining differences in joint and muscle forces when using different loading strategies with the device, comparing and contrasting with the ARED benchmark, and determining whether the loading is sufficient to maintain musculoskeletal health. During data collection, the number of repetitions, load, cadence, stance, and grip width are controlled in order to facilitate comparisons between loading configurations. To date, data have been collected for two human subjects performing the deadlift exercise on the HULK device using two different loading conditions. Recorded data include motion capture, electromyography (EMG), ground reaction forces, device load cell data, photos and videos, and anthropometric data. Work is ongoing to perform biomechanical analyses including inverse kinematics and inverse dynamics to compare different versions of the deadlift model in order to determine which provides an appropriate level of detail to study this exercise. This work is supported by the National Space Biomedical Research Institute through NCC 9-58.

physical exercise↗

Energetic Particles - microturbulence interaction thrust (EP SIWG white paper)

This white paper outlines a strategic approach to Energetic Particle (EP) research, aimed at applying the results to the future burning devices such as ITER. Our goal is to deepen the understanding of the interplay between plasma background microturbulence and diverse species of energetic ions in burning plasma devices. This strategy is poised to advance our knowledge in this crucial area of fusion science, paving the way for significant breakthroughs in plasma physics and fusion energy research. We consider the confinement of energetic ions such as auxiliary heating beams, minority ions from ICRH, and fusion product alpha particles. Recent studies have underscored the potential of EP/microturbulence interaction to enhance fusion plasma performance by stabilizing microturbulence. However, it also poses risks, such as exacerbating Alfvénic eigenmode (AE) instabilities, which could compromise the sustainability of plasma discharge by causing EP losses. The interplay between EPs and background microturbulence is evident in the phenomenon of effective pitch angle scattering, a crucial aspect of the quasilinear (QL) theory. This theory is integral to developing numerically-efficient yet comprehensive and self-consistent approaches, recently employed to investigate the relaxation of energetic particle populations in the holistic modeling of fusion-grade plasmas. The primary objectives of this white paper thrust encompass a dual focus. First is that we need to delve into the mechanisms through which microturbulence engenders effective pitch angle scattering. This investigation will entail the examination of the presence of known or self-consistently predicted spectra of modes accountable for microturbulence. In these explorations, electrostatic microturbulence serves as a logical initial stride towards achieving the trust's objectives. This endeavor is anticipated to yield formulations expressing the parametric dependencies of the effective pitch angle scattering frequency on variables such as thermal plasma electron and/or ion temperatures, as well as their respective thermal conductivities. In our second objective, we aim to delve into the intricate formation of zonal flow (ZF) structures amidst the complex interplay of microturbulence and Alfvenic eigenmodes (AEs). This endeavor poses greater challenges as we seek to unravel the macroscopic manifestations influenced by microturbulence, termed as zonal structures (ZS), stemming from microturbulence-induced ZF. Drawing from this understanding, we anticipate employing a QL approach to yield comprehensive insights into the distribution function of energetic particles (EP) within phase space. This method entails resolving the dominant multidimensional phase space diffusion processes while effectively averaging over the rapid ballistic responses. Nevertheless, substantial strides remain imperative to realize a comprehensive whole-device modeling framework. This entails meticulous verification and validation exercises against experimental observations, as well as rigorous benchmarking against theoretical frameworks and numerical simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Multifidelity Monte Carlo estimation for efficient uncertainty quantification in climate-related modeling

Abstract. Uncertainties in an output of interest that depends on the solution of a complex system (e.g., of partial differential equations with random inputs) are often, if not nearly ubiquitously, determined in practice using Monte Carlo (MC) estimation. While simple to implement, MC estimation fails to provide reliable information about statistical quantities (such as the expected value of the output of interest) in application settings such as climate modeling, for which obtaining a single realization of the output of interest is a costly endeavor. Specifically, the dilemma encountered is that many samples of the output of interest have to be collected in order to obtain an MC estimator that has sufficient accuracy – so many, in fact, that the available computational budget is not large enough to effect the number of samples needed. To circumvent this dilemma, we consider using multifidelity Monte Carlo (MFMC) estimation which leverages the use of less costly and less accurate surrogate models (such as coarser grids, reduced-order models, simplified physics, and/or interpolants) to achieve, for the same computational budget, higher accuracy compared to that obtained by an MC estimator – or, looking at it another way, an MFMC estimator obtains the same accuracy as the MC estimator at lower computational cost. The key to the efficacy of MFMC estimation is the fact that most of the required computational budget is loaded onto the less costly surrogate models so that very few samples are taken of the more expensive model of interest. We first provide a more detailed discussion about the need to consider an alternative to MC estimation for uncertainty quantification. Subsequently, we present a review, in an abstract setting, of the MFMC approach along with its application to three climate-related benchmark problems as a proof-of-concept exercise.

54 ENVIRONMENTAL SCIENCES↗

Verification of Viscous Goal-Based Anisotropic Mesh Adaptation

Adaptive unstructured mesh techniques have a limited, but growing impact on production analysis workflows where the control of discretization error is critical to obtaining reliable simulation results. Recent progress has matured a number of independent implementations of flow solvers, error estimation methods, and anisotropic mesh adaptation mechanics. Anisotropic metric construction methods are evaluated with analytically defined primal and adjoint fields. This allows the comparison of different metric formulations and different implementations of the same formulation without the complications of a flow and adjoint solution method. Unstructured mesh adaptation tools are verified by comparison on analytic primal and dual field before verification on benchmark aerodynamics cases. The documentation of these verification exercises helps to prepare these goal-based methods for routine use in production simulation workflows.

Mesh adaptation↗

Quantification of the importance of the modeling fidelity in the Best Estimate Plus Uncertainty analysis

In this work, the multi-physics coupling of CTF-PARCS for both steady-state and transient simulations is evaluated focusing on the quantification of the importance of the modeling fidelity when applied to the Best Estimate Plus Uncertainty safety analysis. For the steady-state, a Picard iteration approach is adopted in the coupled code while for the transient an explicit approach has been developed as a first step. The CTF-PARCS coupling is applied to the REA at HFP BOC scenario proposed in the exercise I-2c of LWR-UAM benchmark Phase III. Two different modeling choices are investigated for the nominal calculations. The first consists of including the 3D burnup information in CTF, and the second of modeling the spacers grids in both PARCS and CTF. It is observed that due to the degradation of the fuel thermal conductivity, the 3D burnup inclusion in CTF leads to significant higher centerline temperatures than the base case, with a difference up to 300 K. The spacer grids modeling shows the expected power and temperature decrease in the axial positions of the spacer grids. For the uncertainty quantification study, the multi-physics modeling including the burnup information in CTF is used. The results show that the inserted reactivity has a relative standard deviation of 13.6% mainly attributed to the nuclear data. The maximum linear power has a relative standard deviation of 16.2% due to the nuclear data as well, while the maximum centerline temperature has a relative standard deviation of 3.5% primarily caused by the fuel thermal conductivity. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Verification of the Uniformly-Ordered Binary Decision Algorithm in Correlated-Benchmark Whisper Calculations

Whisper is a nuclear criticality safety code package that aids analysts in validation exercises by computing upper subcritical limits (USL) for applications of interest. To obtain statistically meaningful, significant, and conservative USLs, the analyst must ensure that Whisper selects a sufficient number of benchmarks that are neutronically similar to the application. Many of the available benchmarks are correlated but are currently treated as independent, leading to an artificially small sample size, as their individual information contributions will be overestimated. To aid the analyst in obtaining a sufficient sample size, prior work [2] demonstrated application of the Uniformly-Ordered Binary Decision (UOBD) algorithm in adjusting benchmark weights to account for benchmark correlations. This work provides verification of the Whisper implementation and considers the impact of updated benchmark correlations compared to those available previously. We demonstrate that the UOBD algorithm performs as expected with an analytic example. With HEU-SOL-THERM-001 cases 1 through 10 as the applications, we compare the USLs computed with benchmark correlations available in the Whisper 1.1 release only to those computed with additional benchmark correlations from DICE 2023 and demonstrate substantive differences.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

High Temperature Gas-Cooled Reactor Thermal Hydraulics Benchmark Problem 2 Description: Depressurized Conduction Cooldown

Problem 2 of the HTGR T/H Benchmark represents the depressurized conduction cooldown transient and is based on HTTF experiment PG-29. The problem includes an exercise for code-to-code comparison, an exercise for code-to-data comparison, and an exercise for error scaling. This presentation provides an overview of the problem description and provides benchmark participants an opportunity to ask questions about the problem definition.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗