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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 1,063 records · Page 59

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NASA NTRS1979

Monitoring and decision making by people in man machine systems

The analysis of human monitoring and decision making behavior as well as its modeling are described. Classic and optimal control theoretical, monitoring models are surveyed. The relationship between attention allocation and eye movements is discussed. As an example of applications, the evaluation of predictor displays by means of the optimal control model is explained. Fault detection involving continuous signals and decision making behavior of a human operator engaged in fault diagnosis during different operation and maintenance situations are illustrated. Computer aided decision making is considered as a queueing problem. It is shown to what extent computer aids can be based on the state of human activity as measured by psychophysiological quantities. Finally, management information systems for different application areas are mentioned. The possibilities of mathematical modeling of human behavior in complex man machine systems are also critically assessed.

Johannsen, G.↗

DOE OSTI2021

The IDAES process modeling framework and model library—Flexibility for process simulation and optimization

Abstract Energy systems and manufacturing processes of the 21st century are becoming increasingly dynamic and interconnected, which require new capabilities to effectively model and optimize their design and operations. Such next generation computational tools must leverage state‐of‐the‐art techniques in optimization and be able to rapidly incorporate new advances. To address these requirements, we have developed the Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform, which builds on the strengths of both process simulators (model libraries) and algebraic modeling languages (advanced solvers). This paper specifically presents the IDAES Core Modeling Framework (IDAES‐CMF), along with a case study demonstrating the application of the framework to solve process optimization problems. Capabilities provided by this framework include a flexible, modifiable, open‐source platform for optimization of process flowsheets utilizing state‐of‐the‐art solvers and solution techniques, fully open and extensible libraries of dynamic unit operations models and thermophysical property models, and integrated support for superstructure‐based conceptual design and optimization under uncertainty.

42 ENGINEERING↗

NASA NTRS1991

Optimal sampling theory and population modelling - Application to determination of the influence of the microgravity environment on drug distribution and elimination

The optimal sampling theory is evaluated in applications to studies related to the distribution and elimination of several drugs (including ceftazidime, piperacillin, and ciprofloxacin), using the SAMPLE module of the ADAPT II package of programs developed by D'Argenio and Schumitzky (1979, 1988) and comparing the pharmacokinetic parameter values with results obtained by traditional ten-sample design. The impact of the use of optimal sampling was demonstrated in conjunction with NONMEM (Sheiner et al., 1977) approach, in which the population is taken as the unit of analysis, allowing even fragmentary patient data sets to contribute to population parameter estimates. It is shown that this technique is applicable in both the single-dose and the multiple-dose environments. The ability to study real patients made it possible to show that there was a bimodal distribution in ciprofloxacin nonrenal clearance.

Drusano, George L.↗

DOE OSTI2023

Optimal PMU design based on sampling model and sensitivity analysis

The precise measurements of the synchrophasor and frequency from phasor measurement units (PMUs) are widely used in power grid applications. With the improvement of the technique, applications always require stable dynamic performance and higher accuracy for the synchrophasor and frequency measurements, which is challenging for PMU development. To evaluate the contribution of PMU hardware to measurement accuracy, this paper proposes a general-purpose sampling model to analyze the measurement error. In the proposed sampling model, a strict mathematical derivation is derived, where its error is purely determined by the parameters of the PMU hardware. The sensitivity analysis is carried out by three methods, including mathematical analysis, computer simulation, and variance-based sensitivity analysis. Through the sensitivity analysis, this paper establishes the systematic formulation and the inclusion of synchrophasor, frequency, and ROCOF. Experimental results based on the real-world testbench involving distribution-level PMUs match the mathematical analysis conclusion, which verifies the correctness of the general-purpose sampling model. Furthermore, a strategy for the optimal PMU design is proposed, which could guide PMU design in the future.

42 ENGINEERING↗

DOE OSTI2022

Inference of bipolar neutrino flavor oscillations near a core-collapse supernova based on multiple measurements at Earth

Neutrinos in compact-object environments, such as core-collapse supernovae, can experience various kinds of collective effects in flavor space, engendered by neutrino-neutrino interactions. These include “bipolar” collective oscillations, which are exhibited by neutrino ensembles where different flavors dominate at different energies. Considering the importance of neutrinos in the dynamics and nucleosynthesis in these environments, it is desirable to ascertain whether an Earth-based detection could contain signatures of bipolar oscillations that occurred within a supernova envelope. To that end, we, in this study, continue examining a cost-function formulation of statistical data assimilation (SDA) to infer solutions to a small-scale model of neutrino flavor transformation. SDA is an inference paradigm designed to optimize a model with sparse data. Our model consists of two monoenergetic neutrino beams with different energies emanating from a source and coherently interacting with each other and with a matter background, with radially varying interaction strengths. We attempt to infer flavor transformation histories of these beams using simulated measurements of the flavor content at locations “in vacuum” (that is, far from the source), which could in principle correspond to Earth-based detectors. Within the scope of this small-scale model, we found that: (i) based on such measurements, the SDA procedure is able to infer whether bipolar oscillations had occurred within the protoneutron star envelope, and (ii) if the measurements sample the full amplitude of the neutrino oscillations in vacuum, then the amplitude of the prior bipolar oscillations is well predicted. This result intimates that the inference paradigm can well complement numerical integration codes, via its ability to infer flavor evolution at physically inaccessible locations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Development of a Comprehensive Two-Phase Flow Database for the Validation of NEK-2P

Three-dimensional (3-D) two-phase Computational Fluid Dynamics (CFD) codes are emerging as a powerful and potentially practical tool for applications in which detailed local flow information is needed. However, two-phase flow models and associated closure relations are not well established for CFD applications, which is partly due to the lack of high-quality validation data. The main objective of this work is to develop a comprehensive database of two-phase flows that can be used to validate two-phase CFD codes such as NEK-2P. In this project, four advanced local measurement systems, including Particle Image Velocimetry and Planar Laser-Induced Fluorescence (PIV-PLIF), high-speed imaging, x-ray densitometry, and multi-sensor conductivity probe are employed to measure the local two-phase flow parameters of both gas and liquid phases. By combining these techniques, the local void fraction, bubble velocity, interfacial area concentration, bubble frequency, liquid velocity, turbulence intensity, etc., in various two-phase flow regimes can be obtained. These local measurement techniques are first used in a 25.4 mm circular pipe test section. Seven air-water two-phase flow conditions spanning the bubbly, slug, churn-turbulent, and annular flow regimes are measured in this facility. The obtained database contains the radial profiles of both gas- and liquid-phase parameters at three axial locations along the test section. The second facility used in this work contains a 30 mm × 10 mm rectangular test section, in which three two-phase flow and two single-phase flow conditions are measured. Two-dimensional distributions of local two-phase flow parameters in the cross-sectional plane are measured in this facility at three axial locations as well. A facility featuring a 3×3 electrically heated rod bundle is also designed and being constructed in this project. This facility is specially designed for optical measurements and is expected to provide high-quality boiling data in the future. Preliminary analyses have been performed for the data taken in the 25.4 mm circular pipe. Both center-peaked and wall-peaked void fraction profiles have been observed in the data depending on the two-phase flow conditions and/or developing lengths. The 1-D drift-flux model was evaluated with the newly obtained datasets, in which both gas- and liquid-phases data were directly measured. The distribution parameter model has been optimized based on a new void-profile classification method proposed in this study. The optimized drift-flux model shows a significant improvement in predicting both gas velocity and void fraction. The measured liquid-phase turbulence was used to benchmark Sato’s turbulence model considering the bubble-induced shear stress for the three tested bubbly flows. The benchmark results showed good agreement between the PIV measurements and model predictions. In the bubbly flows tested that have low void fractions less than 3%, the effect of the bubble-induced turbulence was found not significant. However, the bubble-induced shear stress becomes important with the increase of the void fraction. The Conjugate Heat Transfer (CHT) model was developed and implemented in NEK-2P. This model allows the coupled simulation of the solid domain and two-phase fluid domain, allowing the specification of realistic boundary conditions. The CHT implementation was verified first with non-boiling simulations. The predicted temperatures in the fluid domain were shown to be identical in simulations with or without the CHT model. The CHT model was then validated through simulations of three Becker benchmark CHF tests performed under both Dryout (DO) and Departure from Nucleate Boiling (DNB) conditions. Reasonably good agreement was obtained between calculated wall temperatures and corresponding experimental data.

42 ENGINEERING↗

DOE OSTI2023

Compaction of crushed salt for safe containment – a summary of the KOMPASS projects

Abstract. For the underground disposal of high-level nuclear waste in rock salt formations, the safety concept includes the backfilling of open cavities with crushed salt. For the prognosis of the sealing function of the backfill for the safe containment of the radioactive waste, it is crucial to have a comprehensive process understanding of the crushed-salt compaction behavior. The crushed-salt compaction process is influenced by internal properties (e.g., grain size, mineralogy, and moisture content) and boundary conditions (e.g., temperature, stress state, and compaction rate) and, therefore, involves several coupled thermal–hydro–mechanical (THM) processes (Hansen et al., 2014; Kröhn et al., 2017). With the paradigm shift from the limited release of radionuclides to safe containment due to the German Repository Site Selection Act passed in 2017, the importance of crushed salt as geotechnical barrier has increased, with a focus on the evolution of its hydraulic properties. Based on the knowledge gaps in the current process understanding, the “Compaction of crushed salt for safe containment” (KOMPASS) projects were initiated to improve the scientific basis behind using crushed salt for the long-term isolation of high-level nuclear waste within rock salt repositories. The efforts to improve the prediction of crushed-salt compaction begun during the first phase of the KOMPASS projects (Czaikowski et al., 2020) and were followed up in a second phase ending in June 2023. The primary achievements of the projects are as follows (Czaikowski et al., 2020; Friedenberg et al., 2022): specification of the KOMPASS reference material, an easily available and reproducible synthetic crushed-salt material, for generic investigations; development of pre-compaction methods and successful production of samples in the short term and under in situ loading conditions; formulation of an extended laboratory program addressing the isolated investigation of known relevant factors influencing the compaction behavior of crushed salt (Düsterloh et al., 2022); execution of long-term compaction tests addressing isotropic and deviatoric load changes, temperature, and compaction state; construction of a backfill body using the KOMPASS reference material in the Sondershausen mine through collaboration with the SAVER (Entwicklung eines salzgrusbasierten Versatzkonzepts unter der Option Rückholbarkeit) project (Schaarschmidt and Friedenberg, 2022); advancement of the tools for microstructure investigation methods (Svensson and Laurich, 2022); generation (first stages) of a microphysical process list combining literature research with our own findings; benchmarking of long-term compaction test for model development and optimization of various existing models as well as the development of new models; application of a virtual demonstrator (2D model representing a backfilled drift in rock salt) for the visualization of developments and the quantification of the models (Rabbel, 2022). In summary, the KOMPASS projects contributed to the reduction of uncertainties and the strengthening of the safety case for using crushed salt within rock salt repositories.

Friedenberg, Larissa↗

NASA NTRS1999

Investigation of the Influence of Microgravity on Transport Mechanism in a Virtual Spaceflight Chamber: A Flight Definition Program

A need exists for understanding precisely how particles move and interact in a fluid in the absence of gravity. Such understanding is required, for example, for modeling and predicting crystal growth in space where crystals grow from solution around nucleation sites as well as for any study of particles or bubbles in liquids or in experiments where particles are used as tracers for mapping microconvection. We have produced an exact solution to the general equation of motion of particles at extremely low Reynolds number in microgravity that covers a wide range of interesting conditions. We have also developed diagnostic tools and experimental techniques to test the validity of the general equation . This program, which started in May, 1998, will produce the flight definition for an experiment in a microgravity environment of space to validate the theoretical model. We will design an experiment with the help of the theoretical model that is optimized for testing the model, measuring g, g-jitter, and other microgravity phenomena. This paper describes the goals, rational, and approach for the flight definition program. The first objective of this research is to understand the physics of particle interactions with fluids and other particles in low Reynolds number flows in microgravity. Secondary objectives are to (1) observe and quantify g-jitter effects and microconvection on particles in fluids, (2) validate an exact solution to the general equation of motion of a particle in a fluid, and (3) to characterize the ability of isolation tables to isolate experiments containing particle in liquids. The objectives will be achieved by recording a large number of holograms of particle fields in microgravity under controlled conditions, extracting the precise three-dimensional position of all of the particles as a function of time and examining the effects of all parameters on the motion of the particles. The feasibility for achieving these results has already been established in the ongoing ground-based NRA, which led to the "virtual spaceflight chamber" concept.

Trolinger, James D.↗

NASA NTRS2003

Spaceflight Holography Investigation in a Virtual Apparatus

The movement of a particle in a fluid is one of the most fundamental processes in physics and plays an important role in materials science. For example, the physics of crystal growth from a nucleation site in solution can be dominated by movement of the solution over the crystal surface. Gravity usually dominates the equations of motion, but in microgravity other terms can dominate, making the equation much more complex. Until recently, the equations were solved only by numerical methods and/or by neglecting terms. During this study, we discovered an exact solution to the equations, which shows that the usually neglected terms become extremely important in microgravity. We also developed diagnostic recording methods using holography to save all of the particle field data, allowing the experiment to essentially be transferred from space back to earth in what we call the virtual apparatus . We will record holograms of particle distributions in motion in microgravity and bring them back to earth for analysis, allowing the study of the full three-dimensional motion of sets of particles, allowing us to test the new analytical solutions. The experiment will also provide accurate measurements of the quasi-steady acceleration of the space platform and other interesting microgravity and g-jitter effects. This program will produce the flight definition for an experiment in the microgravity environment of space to validate the theoretical model. We will design an experiment with the help of the theoretical model that is optimized for testing the model, measuring g, g-jitter, and other microgravity phenomena.

Source record↗

NASA NTRS2005

Experience With Bayesian Image Based Surface Modeling

Bayesian surface modeling from images requires modeling both the surface and the image generation process, in order to optimize the models by comparing actual and generated images. Thus it differs greatly, both conceptually and in computational difficulty, from conventional stereo surface recovery techniques. But it offers the possibility of using any number of images, taken under quite different conditions, and by different instruments that provide independent and often complementary information, to generate a single surface model that fuses all available information. I describe an implemented system, with a brief introduction to the underlying mathematical models and the compromises made for computational efficiency. I describe successes and failures achieved on actual imagery, where we went wrong and what we did right, and how our approach could be improved. Lastly I discuss how the same approach can be extended to distinct types of instruments, to achieve true sensor fusion.

Stutz, John C.↗

NASA NTRS2000

SHIVA (Spaceflight Holography Investigation in a Virtual Apparatus)

This paper provides the description and results of a ground-based experiment designed to support the spaceflight program SHIVA, which started its flight definition in 1998. SHIVA will apply new diagnostic tools and experimental techniques to test the validity of a newly discovered analytical solution to the general equation of motion of a particle in a fluid. We have designed a spaceflight experiment with the help of the theoretical model that is optimized for testing the model, and for measuring g, g-jitter, and other microgravity phenomena. Our ongoing, ground-based particle/fluid experiment supports both the experimental and theoretical aspects of the project. The ultimate spaceflight experiment will be similar to the ground-based experiment. The "virtual spaceflight chamber" concept asserts that certain spaceflight experiments can be recorded in holograms in such a manner that having the holograms on earth is optically equivalent to being back in space with unlimited time to conduct the experiment. Properly exploited, this concept can save a significant amount of experiment time in space by effectively bringing the. experiment optically back to earth. SHIVA will accomplish the following: record a large number of holograms of particle fields in space under controlled conditions, extract the precise, three-dimensional position of all of the particles as a function of time, examine the effects of all parameters on the motion of the particles, and test these against predictions of the Coimbra-Range1 solution to the general equation of motion. Particle sizes will range from hundreds of microns up to about 2 mm in diameter and will cover a range of densities and fluid viscosities. Forcing functions will be introduced onto the particle field, including at least the following: a) No isolation in the Spacelab vibration environment. b) Isolation from Spacelab. c) Oscillatory motion from 1 to 100 Hz with amplitudes of a few millimeters. d) Convective fields to be introduced mechanically. The first objective of this research is to understand the physics of particle interactions with fluids and other particles in low Reynolds number flows in microgravity. Secondary objectives are to: (1) observe and quantify g-jitter effects and microconvection on particles in fluids, (2) validate an exact solution to the general equation of motion of a particle in a fluid, and (3) to characterize'the ability of isolating platforms to isolate experiments containing particles in liquids.

Trolinger, James D.↗

NASA NTRS2018

Bistable Collapsible Tubular Mast Booms

A promising candidate for deployable composite structures is the two-shelled Collapsible Tubular Mast (CTM) boom, which is to be employed on future solar sail and interplanetary small satellite platforms by the National Aeronautics and Space Administration (NASA). This is due to its two omega-shaped shells forming a closed-section which yields large stiffnesses that allowed for high dimensional stability. An inextensional analytical model describing the bending deformation mechanics of CTM booms was used to determine how design variables induce bistability, or the existence of two strain energy wells. Bistable booms were favorable due to low strain energy requirements for the coiled state and had more controllable deployment when compared to monostable booms. The effects of varying lamina material, laminate layup, and shell arc geometries between different inner and outer shell segments on the second strain energy well and stiffness properties were determined for cross-sections formed by circular segments. The full design space for two-shelled composite CTM booms was explored to evaluate the validity of the simple analytical model developed. Optimal CTM boom designs were manufactured and experimentally characterized for comparisons against model results. The model under-predicted the second stable coiled diameter of the complete two-shelled booms by 27-33% and as low as 3-8% for the individual shells wrapped alone.

Fernandez, Juan M.↗

NASA NTRS2019

Quasi-Static and Dynamic Analysis of Composite Panels: Characterization and Validation

The predictive capability of a progressive damage model to simulate the quasi-static and dynamic crushing of composite specimens is evaluated in this article. The material model is commercially available within the ABAQUS finite element software package, i.e., “Damage for Fiber reinforced Composites”, and is often utilized to simulate damage progression and failure in static and dynamic failure scenarios such as crushing of a composite plate. The composite specimens used in this study consist of quasi-isotropic C-shaped and corrugated composite panels comprised of carbon fiber/epoxy braided fabric. The C-shaped panel specimen is used to calibrate the model and optimize material/model properties through comparison with experimental results. Then, using the same model parameters, the quasi-static crush response of the corrugated panel is predicted. The predictive capability of the model is further demonstrated by simulating the dynamic crushing response of both C-shaped and corrugated panels using the same material properties as in the quasi-static crush case with only minor adjustments for the dynamic elastic properties (i.e., rate dependent modulus). Results show that the in-built material model available in ABAQUS can successfully reproduce experimental results for both panels (C-shaped and corrugated) subjected to both quasi-static and dynamic loading scenarios. A small-scale parametric study on physical (experimentally measurable) and nonphysical (purely mathematical) model parameters was also conducted. It can be concluded that, achieving successful simulation results requires a more in-depth understanding of the influence of model parameter variation on the mechanical response of the composite together with the strategies and challenges of the utilized modeling methodology (e.g., FEA mesh density, etc.).

Naghipour Ghezeljeh, Paria↗

NASA NTRS2022

Wind-Optimal Lateral Trajectories for a Multirotor Aircraft in Urban Air Mobility

The primary motivation for this paper is to quantify the operational benefits (energy consumption and flight duration) of flying wind-optimal lateral trajectories for short flights (less than 60 miles) anticipated in the urban environment. The optimal control model presented includes a wind model for quantifying the effect of wind on the lateral trajectory. The optimal control problem is numerically solved using the direct collocation method. Energy consumption and flight duration flying wind-optimal lateral trajectories are compared with corresponding values obtained flying great-circle paths between the same origin and destination pairs to determine the operational benefits of wind-optimal routing for short flights. The flight duration results for different scenarios are validated using a simulation tool designed and developed at NASA for exploring advanced air traffic management concepts. This research study suggests that for short flights in an urban environment, operational benefits of the wind-optimal lateral trajectories over the corresponding great-circle trajectories in terms of energy consumption and flight duration per flight are dependent on: i) wind field’s spatial variability, ii) wind magnitude, iii) the direction of route relative to the wind field, and iv) cruise segment length. The operational benefits observed in realistic flyable wind scenarios are less than 2.5%; these could be translated to an equivalent of a maximum of 2 min of cruise flight duration savings in the urban air mobility environment. As expected, headwinds and tailwinds along the flight route most significantly impact energy consumption and flight duration.

Wind-Optimal Trajectory, Lateral Path, Urban Air M↗

NASA NTRSDate not supplied

Deriving a Suite of Climate Data Records from 21-years of Sounder Observations

Two retrieval algorithms, a Single Field-of-view Sounder Atmospheric Product (SiFSAP) Level 2 algorithm and a Climate Fingerprinting Sounder Product (ClimFiSP) Level 3 algorithm, have been developed at NASA Langley Research Center. In this presentation, we will demonstrate the radiance closure build into these two algorithms. This is possible due to the use of a principal-component-based radiative transfer model (PCRTM). The PCRTM enables the inclusion of all available spectral information from hyperspectral IR sounders. It also has fast and accurate capability of modeling observed cloudy radiance spectra directly. The SiFSAP, which fits sounder radiance spectra using PCRTM as forward model and an optimal estimation as inverse model, has 3-times higher spatial resolution and 9-times denser data products comparing to current NASA and NOAA operational IR sounder products. With great support from NASA sounder SIPS, the SiFSAP algorithm has been delivered to NASA GES DISC for L2 and L3 data generation and releasing. The ClimFiSP uses a spectral fingerprinting method to directly generate L3 data products from spatiotemporally averaged L1 data. The goal of ClimFiSP is to generate high-quality climate data records (CDRs) from multiple IR sounders (e.g. Aqua AIRS, SNPP CrIS, NOAA-20 and NOAA-21 CrIS) using a consistent retrieval methodology. Using CHIRP L1 data, we have generated 20-years of CDRs for atmospheric temperature, water vapor, and trace gas profiles, as well as cloud and surface properties. The algorithm will be transitioned to Sounder SIPS soon and eventually to NASA GES DISC.

Xu Liu↗

DOE OSTI2021

An Integrated High-performance Computing and Digital Real-time Simulation Testbed to Benchmark Closed-loop Load Shedding Algorithms in Power Systems

An integrated testbed using digital real-time simulator (DRTS) and a high-performance computing (HPC) cluster is presented here to compare speed and performance of computational schemes to mitigate time-critical issues in electric power systems. The first approach in this testbed validation is taken by running a set of closed-loop load shedding algorithms to compare and contrast two paradigms of arresting cascading failure propagation. Two algorithms involve solving DC and AC power flow model-based optimization problems to compute load shedding at different buses, while a model-based stochastic search using parallel computing provides a viable alternative. The algorithms are implemented in the DRTS-HPC testbed for the IEEE 14-bus benchmark transmission system. As a proof of the concept, simulation results are presented for implementation of closed-loop load-shedding algorithms for cascading failures in the DRTS-HPC testbed

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Core design and performance of the Westinghouse lead fast reactor with UO 2 and MOX configurations

For this work, Westinghouse partnered with Argonne National Laboratory to design, model and optimize UO 2 - and MOX-fueled core designs for a medium size (950 MWt) Lead Fast Reactor that was pursued by Westinghouse. Using Argonne’s suite of reactor analysis codes together with Westinghouse fuel cost economic models, thousands of candidate cores were considered to achieve the economics-optimized cores presented in this paper. This optimization process considered detailed reactor physics, fuel performance, transient performance, and fuel economics models. The reactor performance of the resulting optimized UO 2 - and MOX-fueled core designs are described and compared in this paper. Both cores show fuel performance and transient behavior that is considered acceptable for the optimization presented herein, while further testing campaigns on material performance in high-temperature liquid lead will be required to confirm acceptability at the operating conditions chosen. A multi-batch strategy was selected for the UO 2 core for best fuel utilization with minimum fuel inventory costs. A single-batch fuel management was instead selected for the MOX core to maximize cycle length and minimize the impact of the longer refueling outage resulting from the higher decay heat of the discharged MOX fuel relative to the discharged UO 2 fuel, requiring a longer cooling time before dry-lift of discharged fuel could take place.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Comparing Sensor Fusion and Multimodal Chemometric Models for Monitoring U(VI) in Complex Environments Representative of Irradiated Nuclear Fuel

Optical sensors and chemometric models were leveraged for the quantification of uranium(VI) (0–100 μg mL –1 ), europium (0–150 μg mL –1 ), samarium (0–250 μg mL –1 ), praseodymium (0–350 μg mL –1 ), neodymium (0–1000 μg mL –1 ), and HNO 3 (2–4 M) with varying corrosion product (iron, nickel, and chromium) levels using laser fluorescence, Raman scattering, and ultraviolet–visible–near-infrared absorption spectra. In this paper, an efficient approach to developing and evaluating tens of thousands of partial least-squares regression (PLSR) models, built from fused optical spectra or multimodal acquisitions, is discussed. Each PLSR model was optimized with unique preprocessing combinations, and features were selected using genetic algorithm filters. The 7-factor D-optimal design training set contained just 55 samples to minimize the number of samples. The performance of PLSR models was evaluated by using an automated latent variable selection script. PLS1 regression models tailored to each species outperformed a global PLS2 model. PLS1 models built using fused spectra data and a multimodal (i.e., analyzed separately) approach yielded similar information, resulting in percent root-mean-square error of prediction values of 0.9–5.7% for the seven factors. Further, the optical techniques and data processing strategies established in this study allow for the direct analysis of numerous species without measuring luminescence lifetimes or relying on a standard addition approach, making it optimal for near-real-time, in situ measurements. Nuclear reactor modeling helped bound training set conditions and identified elemental ratios of lanthanide fission products to characterize the burnup of irradiated nuclear fuel. Leveraging fluorescence, spectrophotometry, experimental design, and chemometrics can enable the remote quantification and characterization of complex systems with numerous species, monitor system performance, help identify the source of materials, and enable rapid high-throughput experiments in a variety of industrial processes and fundamental studies.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗