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DOE OSTI2023

Large Eddy Simulation of Convective Heat Transfer in a Random Pebble Bed Using the Spectral Element Method

The development of fluoride-cooled high-temperature reactors has drastically increased the demand for an in-depth understanding of the heat transfer (HT) in packed beds cooled by liquid salts. The complex flow fields and space-dependent porosity found in a pebble bed require a detailed understanding to ensure the proper cooling of the reactor core during normal and accident conditions. As detailed experimental data are complicated to obtain for these configurations, high-fidelity simulation such as large eddy simulation and direct numerical simulation (DNS) can be employed to create a high-resolution heat transfer numerical database that can assist in addressing industrial-driven issues associated with the heat transfer behavior of fluoride-cooled high-temperature reactors. In this paper, we performed a series of large eddy simulation using computational fluid dynamics (CFD) code NekRS to investigate the heat transfer for a bed of 1741 pebbles. Further, the characteristics of the flow, such as average, rms, and time series of velocity and temperature, have been analyzed. Porous media averages have also been performed. The simulation results show a good agreement between non-conjugate heat transfer and conjugate heat transfer. The generated data will be used to benchmark heat transfer modeling methods and local maxima/minima of heat transfer parameters. It will also be used for supporting convective heat transfer quantification for Kairos Power and benchmarking lower fidelity models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

An Integrated ML/AI Framework for Digitizing, Structuring and Searching DOE U-TRU-Fuels Data with Gap Analysis of Non-DOE Records

The U.S. Department of Energy (DOE) Advanced Fuels Campaign (AFC) is advancing transmutation fuel technologies to reduce long-lived radioactive waste by converting minor actinides into shorter-lived or stable elements through irradiation in sodium-cooled fast reactors. Key experiments such as AFC-1, AFC-2, FUels for the transmutation of Trans-URanium elements In phéniX (FUTURIX)-Fortes Teneurs en Actinides (FTA), and Experimental Breeder Reactor-II (EBR-II) X501 have provided fuel fabrication, irradiation, and performance data on various transuranic-bearing fuel forms. This report documents the creation of an artificial-intelligence assisted database, which has consolidated all DOE-owned data related to Transuranic (TRU)-bearing fuel experiments and stored across it across both the Idaho National Laboratory (INL) Nuclear Data Management and Analysis System and the INL high performance computing (HPC) infrastructure. A dedicated webpage, hosted on the INL HPC system, has been developed to support role-based access and data interaction. The database architecture allows researchers to navigate large, heterogeneous archives with far greater speed and accuracy than manual search and lays the foundation for future expansion into multimodal nuclear materials analysis environments. The database represents a major step towards a nationally integrated fuels database utilizing artificial intelligence tools.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1993

Overview of the Systems Special Investigation Group investigation

The Long Duration Exposure Facility (LDEF) carried a remarkable variety of electrical, mechanical, thermal, and optical systems, subsystems, and components. Nineteen of the fifty-seven experiments flown on LDEF contained functional systems that were active on-orbit. Almost all of the other experiments possessed at least a few specific components of interest to the Systems Special Investigation Group (Systems SIG), such as adhesives, seals, fasteners, optical components, and thermal blankets. Almost all top level functional testing of the active LDEF and experiment systems has been completed. Failure analysis of both LDEF hardware and individual experiments that failed to perform as designed has also been completed. Testing of system components and experimenter hardware of interest to the Systems SIG is ongoing. All available testing and analysis results were collected and integrated by the Systems SIG. An overview of our findings is provided. An LDEF Optical Experiment Database containing information for all 29 optical related experiments is also discussed.

Mason, James B.↗

NASA NTRS2016

Inland and Near-Shore Water Profiles Derived from the High-Altitude Multiple Altimeter Beam Experimental Lidar (MABEL)

The Advanced Topographic Laser Altimeter System (ATLAS) on the Ice, Cloud, and Land Elevation Satellite (ICESat-2) mission is a six beam, low energy, high repetition rate, 532-nanometer laser transmitter with photon counting detectors. Although designed primarily for detecting height changes in ice caps, sea ice, and vegetation, the polar-orbiting satellite will observe global surface water during its designed three-year life span, including inland waterbodies, coasts, and open oceans. In preparation for the mission, an ICESat-2 prototype, the Multiple Altimeter Beam Experimental Lidar (MABEL), was built and flown on high-altitude aircraft experiments over a range of inland and near-shore targets. The purpose was to test the ATLAS concept and to provide a database for developing an algorithm that detects along track surface water height and light penetration under a range of atmospheric and water conditions. The current analysis examines the data sets of three MABEL transects observed from 20 kilometers above ground of coastal and inland waters conducted in 2012 and 2013. Transects ranged from about 2 to 12 kilometers in length and included the middle Chesapeake Bay, the near-shore Atlantic coast at Virginia Beach, and Lake Mead. Results indicate MABEL's high capability for retrieving surface water height statistics with a mean height precision ofapproximately 5-7 centimeters per 100-meter segment length. Profiles of attenuated subsurface backscatter, characterized using a Signal to Background Ratio written in Log10 base, or LSBR (sub 0), were observed over a range of 1.3 to 9.3 meters, depending on water clarity and atmospheric background. Results indicate that observable penetration depth, although primarily dependent on water properties, was greatest when the solar background rate was low. Near-shore bottom reflectance was detected only at the Lake Mead site down to a maximum of 10 meters under a clear night sky and low turbidity of approximately 1.6 Nephelometric Turbidity Units (NTU). The overall results suggest that the feasibility of retrieving operational surface water height statistics from space-based photon counting systems such as ATLAS is very high for resolutions down to about 100 meters, even in partly cloudy conditions. The capability to observe subsurface backscatterprofiles is achievable but requires much longer transects of several hundreds of meters.

inland↗

DOE OSTI2022

140,142 Ce Neutron Cross Section Resolved Resonance Region Evaluation [Abstract]

A resolved resonance region evaluation of 140,142 Ce has been carried out by Oak Ridge National Laboratory. Requested by the US Nuclear Criticality Safety Program, this evaluation is based on recent high-resolution transmission and capture high-resolution measurements of nat Ce and 142 Ce conducted at JRC-GEEL at the Geel Linear Accelerator facility, as well as recently measured thermal constants available from the EXFOR database. Starting from the resonance parameters from the ENDF/B-VIII.0 library and following a preliminary R-matrix analysis, an updated set of resonance parameters and corresponding covariance information was derived by the fit of these experimental datasets using the Reich-Moore approximation of the R-matrix theory as implemented in the SAMMY code system. The resolved resonance region upper energy limit for 140 Ce was kept at 200 keV while the 142 Ce resonance region was extended from 13 to 26 keV. This new evaluation was found to be in good agreement not only with several integral quantities of interest to the reactor physics community, but also with the stellar Maxwellian-averaged cross section.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Sensitivity Study of Multiscale and Phenomenological Elasto-Viscoplastic Grade 91 Material Models for Component-Scale Response

Many advanced nuclear reactor concepts currently being developed are targeting higher operating temperatures relative to the current fleet of light water nuclear reactors, for efficiency gains and other operational considerations. The design of high temperature structural components with reliable long-term operational performance will depend on material models that accurately capture the inelastic deformation mechanisms active in these environments. In this work, we perform a detailed parameter sensitivity analysis of two unified elasto-viscoplastic Grade 91 material models capable of capturing long term high temperature creep deformation. The first model is a phenomelogical material model from the Nuclear Engineering Material Library (NEML) developed at Argonne National Lab. The NEML model parameters and their uncertainty were fit to a range of Grade 91 experimental data using Bayesian Markov Chain Monte Carlo analysis. The second model is a LAROMance data-driven surrogate material model developed at Los Alamos National Lab. The LAROMance model is fit to a large database of responses produced by a mechanistic crystal plasticity based polycrystal model. Parameters for the LAROMance surrogate material model reflect the pedigree of the Grade 91 microstructure. Both material models have been integrated into the Grizzly code, based on the open-source MOOSE multiphysics simulation framework, to simulate both the progression of aging mechanisms and the effects of that aging on nuclear power plant structures. Grizzly is used analyze a three-dimensional Grade 91 piping system to compare the long-term inelastic response predicted by these two fundamentally different models and assess the sensitivity of the material model input parameters on this quantity of interest.

42 ENGINEERING↗

DOE OSTI2022

Experimental distinction of the molecularly induced Balmer emission contribution and its application for inferring molecular divertor density with 2D filtered camera measurements during detachment in JET L-mode plasmas

A previously presented model for generating 2D estimates of the divertor plasma conditions at JET from deuterium Balmer line intensity ratios, obtained from tomographic reconstructions of divertor camera images, was amended to consider also the Balmer emission arising from molecular processes. Utilizing the AMJUEL and H2VIBR atomic and molecular databases of EIRENE enabled also inference of the molecular divertor density from the distinguished molecularly induced emission. Analysis of a JET L-mode density scan suggests the molecularly induced emission accounting for up to 60%–70% and 10%–20% of the Balmer Dα and Dγ intensities, respectively, at the onset of detachment, while electron-ion recombination becomes increasingly dominant with deepening detachment. Similar observations were made by post-processing EDGE2D-EIRENE simulations, which indicated significant roles of molecular D$^{+}_{2}$ ions and vibrational excitation of the D 2 molecules as precursors for the molecularly induced emission. The experimentally inferred molecular density at the outer strike point was found to increase monotonously with decreasing strike point temperature, reaching approximately 30%–50% of the local electron density at n mol, osp = 1–2 X 10 20 m -3 at T e,osp ≈ 0.7 eV. A further steep increase by a factor of 3–5 was observed with decrease of T e,osp to 0.5 eV. The observations are in qualitative and reasonable quantitative agreement with EDGE2D-EIRENE predictions of n mol, osp within the uncertainties of the experimental data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Prediction of DIII-D Pedestal Structure from Externally Controllable Parameters

The sharp increase of pressure at the edge of a high confinement mode (H-mode) plasma, the pedestal, strongly impacts overall plasma performance. Predicting the pedestal is a necessity to control and optimize tokamak operations. An experimental data-driven machine learning (ML) approach is presented that predicts the pedestal heights and widths of electron density (ne) and electron temperature (Te) profiles as well as the separatrix ne from externally controllable parameters such as the plasma shape, heating method and power, and gas puff rate and integrated gas puff. The OMFIT framework was used with DIII-D data to efficiently, robustly, and automatically build a database of pedestal parameters to train machine learning models. Database creation was enabled by the search engine tool for DIII-D data, TokSearch, which parallelizes data fetching, enabling fast searches through basic signals of thousands of DIII-D shots and selection of relevant time intervals. Principal Component Analysis (PCA) separated the database into three clusters that represent classes of plasma shapes that are regularly used in DIII-D. The most important parameters for setting the pedestal structure were plasma current (Ip), toroidal magnetic field (Bφ), neutral beam heating power (PNBI) and shaping quantities. The Deep Jointly Informed Neural Networks (DJINN) algorithm was applied to identify suitable neural network (NN) architectures that appropriately capture the features of the pedestal database. Separate NNs were implemented for each pedestal parameter, and ensembling methods were used to improve the prediction accuracy and allowed estimation of the prediction uncertainty. The pedestal predictions of the test dataset lie within the measurement uncertainties of the pedestal parameters. The NN outperformed simple Linear Regression (LR) analysis, indicating non-linear dependencies in the pedestal structure. The presented achievements illustrate a promising path for future research, using feature extraction to infer experimental trends and thereby improve pedestal models as well as deploying NN for a fast pedestal prediction in DIII-D scenario development.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Results from the Alfvén Eigenmode Active Diagnostic during the 2019-2020 JET deuterium campaign

This paper presents results of extensive analysis of mode excitation observed during the operation of the Alfvén Eigenmode Active Diagnostic (AEAD) in the JET tokamak during the 2019-2020 deuterium campaign. Here, six of eight toroidally spaced antennas, each with independent power and phasing, were successful in actively exciting stable MHD modes in 479 plasmas. In total, magnetic resonances were detected with up to fourteen fast magnetic probes. In this work, we present the calculations of resonant frequencies $f_0$, damping rates γ < 0, and toroidal mode numbers $\textit{n}$, spanning the parameter ranges $f_0$ ≈ 30–250 kHz, –γ ≈ 0–13 kHz, and $\vert n \vert \leq {30}$. In general, good agreement is seen between the resonant and the calculated toroidal Alfvén Eigenmode frequencies, and between the toroidal mode numbers applied by the AEAD and estimated of the excited resonances. We note several trends in the database: the probability of resonance detection decreases with plasma current and external heating power; the normalized damping rate increases with edge safety factor but decreases with external heating. These results provide key information to prepare future experimental campaigns and to better understand the physics of excitation and damping of Alfvén Eigenmodes in the presence of alpha particles during the upcoming DT campaign, thereby extrapolating with confidence to future tokamaks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

PNNL-Predictive-Phenomics/ProCaliper

ProCaliper is a Python library that curates, organizes, and computes protein structure features in a way that easily interfaces with user-provided experimental data. It extracts or computes protein binding site, active site, charge, pLDDT (order/disorder), acid dissociation, protonation, solvent accessible surface area, disulfide bond distance, and protein secondary structure data using precomputed protein structures and publicly available databases. It provides a unified API for integrating additional residue-level data and for visualizing residue features in 3D.

Rozum, Jordan [Pacific Northwest National Lab]↗

DOE OSTI2021

Results from the Alfven Eigenmode Active Diagnostic during the 2019-2020 JET deuterium campaign

This paper presents results of extensive analysis of mode excitation observed during the operation of the Alfven Eigenmode Active Diagnostic (AEAD) in the JET tokamak during the 2019-2020 deuterium campaign. Six of eight toroidally spaced antennas, each with independent power and phasing, were successful in actively exciting stable MHD modes in 479 plasmas. In total, 4768 magnetic resonances were detected with up to fourteen fast magnetic probes. In this work, we present the calculations of resonant frequencies f0, damping rates \gamma < 0, and toroidal mode numbers n, spanning the parameter range f0 = 30 - 250 kHz, -\gamma = 0 - 13 kHz, and |n| < 30. In general, good agreement is seen between the resonant and the calculated toroidal Alfven Eigenmode frequencies, and between the toroidal mode numbers applied by the AEAD and estimated of the excited resonances. We note several trends in the database: the probability of resonance detection decreases with plasma current and external heating power; the normalized damping rate increases with edge safety factor but decreases with external heating. These results provide key information to prepare future experimental campaigns and to better understand the physics of excitation and damping of Alfven Eigenmodes in the presence of alpha particles during the upcoming DT campaign, thereby extrapolating with confidence to future tokamaks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1988

A flight test design for studying airborne applications of air to ground duplex data link communications

The Automatic En Route Air Traffic Control (AERA) and the Advanced Automated System (AAS) of the NAS plan, call for utilization of data links for such items as computer generated flight clearances, enroute minimum safe altitude warnings, sector probes, out of conformance check, automated flight services, and flow management of advisories. A major technical challenge remaining is the integration, flight testing, and validation of data link equipment and procedures in the aircraft cockpit. The flight test organizational chart, was designed to have the airplane side of data link experiments implemented in the NASA Langley Research Center (LaRC) experimental Boeing 737 airplane. This design would enable investigations into implementation of data link equipment and pilot interface, operations, and procedures. The illustrated ground system consists of a work station with links to a national weather database and a data link transceiver system. The data link transceiver system could be a Mode-S transponder, ACARS, AVSAT, or another type of radio system such as the military type HF data link. The airborne system was designed so that a data link transceiver, workstation, and touch panel could be interfaced with an input output processor to the aircraft system bus and thus have communications access to other digital airplane systems.

Scanlon, Charles H.↗

NASA NTRS1991

Expert system decision support for low-cost launch vehicle operations

Progress in assessing the feasibility, benefits, and risks associated with AI expert systems applied to low cost expendable launch vehicle systems is described. Part one identified potential application areas in vehicle operations and on-board functions, assessed measures of cost benefit, and identified key technologies to aid in the implementation of decision support systems in this environment. Part two of the program began the development of prototypes to demonstrate real-time vehicle checkout with controller and diagnostic/analysis intelligent systems and to gather true measures of cost savings vs. conventional software, verification and validation requirements, and maintainability improvement. The main objective of the expert advanced development projects was to provide a robust intelligent system for control/analysis that must be performed within a specified real-time window in order to meet the demands of the given application. The efforts to develop the two prototypes are described. Prime emphasis was on a controller expert system to show real-time performance in a cryogenic propellant loading application and safety validation implementation of this system experimentally, using commercial-off-the-shelf software tools and object oriented programming techniques. This smart ground support equipment prototype is based in C with imbedded expert system rules written in the CLIPS protocol. The relational database, ORACLE, provides non-real-time data support. The second demonstration develops the vehicle/ground intelligent automation concept, from phase one, to show cooperation between multiple expert systems. This automated test conductor (ATC) prototype utilizes a knowledge-bus approach for intelligent information processing by use of virtual sensors and blackboards to solve complex problems. It incorporates distributed processing of real-time data and object-oriented techniques for command, configuration control, and auto-code generation.

Szatkowski, G. P.↗

NASA NTRS2008

An Experimental and Numerical Study of a Supersonic Burner for CFD Model Development

A laboratory scale supersonic burner has been developed for validation of computational fluid dynamics models. Detailed numerical simulations were performed for the flow inside the combustor, and coupled with finite element thermal analysis to obtain more accurate outflow conditions. A database of nozzle exit profiles for a wide range of conditions of interest was generated to be used as boundary conditions for simulation of the external jet, or for validation of non-intrusive measurement techniques. A set of experiments was performed to validate the numerical results. In particular, temperature measurements obtained by using an infrared camera show that the computed heat transfer was larger than the measured value. Relaminarization in the convergent part of the nozzle was found to be responsible for this discrepancy, and further numerical simulations sustained this conclusion.

Magnotti, G.↗

DOE OSTI2021

Prediction of DIII-D Pedestal Structure From Externally Controllable Parameters

The sharp increase of pressure at the edge of a high confinement mode (H-mode) plasma, the pedestal, strongly impacts overall plasma performance. Predicting the pedestal is a necessity to control and optimize tokamak operations. Here, an experimental data-driven machine learning (ML) approach is presented that predicts the pedestal heights and widths of electron density (n e ) and electron temperature (T e ) profiles as well as the separatrix ne from externally controllable parameters such as the plasma shape, heating method and power, and gas puff rate and integrated gas puff. The OMFIT framework was used with DIII-D data to efficiently, robustly, and automatically build a database of pedestal parameters to train machine learning models. Database creation was enabled by the search engine tool for DIII-D data, TokSearch, which parallelizes data fetching, enabling fast searches through basic signals of thousands of DIII-D shots and selection of relevant time intervals. Principal Component Analysis (PCA) separated the database into three clusters that represent classes of plasma shapes that are regularly used in DIII-D. The most important parameters for setting the pedestal structure were plasma current (I p ), toroidal magnetic field (B Φ ), neutral beam heating power (P NBI ) and shaping quantities. The Deep Jointly Informed Neural Networks (DJINN) algorithm was applied to identify suitable neural network (NN) architectures that appropriately capture the features of the pedestal database. Separate NNs were implemented for each pedestal parameter, and ensembling methods were used to improve the prediction accuracy and allowed estimation of the prediction uncertainty. The pedestal predictions of the test dataset lie within the measurement uncertainties of the pedestal parameters. The NN outperformed simple Linear Regression (LR) analysis, indicating non-linear dependencies in the pedestal structure. The presented achievements illustrate a promising path for future research, using feature extraction to infer experimental trends and thereby improve pedestal models as well as deploying NN for a fast pedestal prediction in DIII-D scenario development.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

The landscape of soil carbon data: Emerging questions, synergies and databases

Soil carbon has been measured for over a century in applications ranging from understanding biogeochemical processes in natural ecosystems to quantifying the productivity and health of managed systems. Consolidating diverse soil carbon datasets is increasingly important to maximize their value, particularly with growing anthropogenic and climate change pressures. In this progress discussion, we describe recent advances in soil carbon data led by the International Soil Carbon Network and other networks. We highlight priority areas of research requiring soil carbon data, including (a) quantifying boreal, arctic and wetland carbon stocks, (b) understanding the timescales of soil carbon persistence using radiocarbon and chronosequence studies, (c) synthesizing long-term and experimental data to inform carbon stock vulnerability to global change, (d) quantifying root influences on soil carbon and (e) identifying gaps in model–data integration. Furthermore, we describe the landscape of soil datasets currently available, highlighting their strengths, weaknesses and synergies. Now more than ever, integrated soil data are needed to inform climate mitigation, land management and agricultural practices. This report will aid new data users in navigating various soil databases and encourage scientists to make their measurements publicly available and to join forces to find soil-related solutions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Machine Learning Predictions of Transition Probabilities in Atomic Spectra

Forward modeling of optical spectra with absolute radiometric intensities requires knowledge of the individual transition probabilities for every transition in the spectrum. In many cases, these transition probabilities, or Einstein A-coefficients, quickly become practically impossible to obtain through either theoretical or experimental methods. Complicated electronic orbitals with higher order effects will reduce the accuracy of theoretical models. Experimental measurements can be prohibitively expensive and are rarely comprehensive due to physical constraints and sheer volume of required measurements. Due to these limitations, spectral predictions for many element transitions are not attainable. In this work, we investigate the efficacy of using machine learning models, specifically fully connected neural networks (FCNN), to predict Einstein A-coefficients using data from the NIST Atomic Spectra Database. For simple elements where closed form quantum calculations are possible, the data-driven modeling workflow performs well but can still have lower precision than theoretical calculations. For more complicated nuclei, deep learning emerged more comparable to theoretical predictions, such as Hartree–Fock. Unlike experiment or theory, the deep learning approach scales favorably with the number of transitions in a spectrum, especially if the transition probabilities are distributed across a wide range of values. It is also capable of being trained on both theoretical and experimental values simultaneously. In addition, the model performance improves when training on multiple elements prior to testing. The scalability of the machine learning approach makes it a potentially promising technique for estimating transition probabilities in previously inaccessible regions of the spectral and thermal domains on a significantly reduced timeline.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2018

The Integration of Plant Sample Analysis, Laboratory Studies, and Thermodynamic Modeling to Predict Slag-Matte Equilibria in Nickel Sulfide Converting

The Kalgoorlie Nickel Smelter (KNS) produces low Fe, low Cu nickel matte in its Peirce–Smith converter operations. To inform process development in the plant, new fundamental data are required on the effect of CaO in slag on the distribution of arsenic between slag and matte. A combination of plant sample analysis, high-temperature laboratory experiments, and thermodynamic modeling was carried out to identify process conditions in the converter and to investigate the effect of slag composition on the chemical behavior of the system. The high-temperature experiments involved re-equilibration of industrial matte-slag-lime samples at 1498 K (1225 °C) and P(SO{sub 2}) = 0.12 atm on a magnetite/quartz substrate, rapid quenching in water, and direct measurement of phase compositions using electron probe X-ray microanalysis (EPMA) and laser ablation–inductively coupled plasma–mass spectrometry (LA-ICP-MS). A private thermodynamic database for the Ca-Cu-Fe-Mg-Ni-O-S-Si-(As) system was used together with the FactSage software package to assist in the analysis. Thermodynamic predictions combined with plant sample characterization and the present experimental data provide a quantitative basis for the analysis of the effect of CaO fluxing on the slag-matte thermochemistry during nickel sulfide converting, in particular on the spinel liquidus and the distribution of elements between slag and matte as a function of CaO addition.

36 MATERIALS SCIENCE↗