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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

SU-E-T-646: Quality Assurance of Truebeam Multi-Leaf Collimator Using a MLC QA Phantom

Purpose: To perform a routine quality assurance procedure for Truebeam multi-leaf collimator (MLC) using MLC QA phantom, verify the stability and reliability of MLC during the treatment. Methods: MLC QA phantom is a specialized phantom for MLC quality assurance (QA), and contains five radio-opaque spheres that are embedded in an “L” shape. The phantom was placed isocentrically on the Truebeam treatment couch for the tests. A quality assurance plan was setted up in the Eclipse v10.0, the fields that need to be delivered in order to acquire the necessary images, the MLC shapes can then be obtained by the images. The images acquired by the electronic portal imaging device (EPID), and imported into the PIPSpro software for the analysis. The tests were delivered twelve weeks (once a week) to verify consistency of the delivery, and the images are acquired in the same manner each time. Results: For the Leaf position test, the average position error was 0.23mm±0.02mm (range: 0.18mm∼0.25mm). The Leaf width was measured at the isocenter, the average error was 0.06mm±0.02mm (range: 0.02mm∼0.08mm) for the Leaf width test. Multi-Port test showed the dynamic leaf shift error, the average error was 0.28mm±0.03mm (range: 0.2mm∼0.35mm). For the leaf transmission test, the average inter-leaf leakage value was 1.0%±0.17% (range: 0.8%∼1.3%) and the average inter-bank leakage value was 32.6%±2.1% (range: 30.2%∼36.1%). Conclusion: By the test of 12 weeks, the MLC system of the Truebeam is running in a good condition and the MLC system can be steadily and reliably carried out during the treatment. The MLC QA phantom is a useful test tool for the MLC QA.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2024

Classifying photonic topology using the spectral localizer and numerical K -theory

Recently, the spectral localizer framework has emerged as an efficient approach for classifying topology in photonic systems featuring local nonlinearities and radiative environments. In nonlinear systems, this framework provides rigorous definitions for concepts such as topological solitons and topological dynamics, where a system’s occupation induces a local change in its topology due to nonlinearity. For systems embedded in radiative environments that do not possess a shared bulk spectral gap, this framework enables the identification of local topology and shows that local topological protection is preserved despite the lack of a common gap. However, as the spectral localizer framework is rooted in the mathematics of C*-algebras, and not vector bundles, understanding and using this framework requires developing intuition for a somewhat different set of underlying concepts than those that appear in traditional approaches for classifying material topology. In this tutorial, we introduce the spectral localizer framework from a ground-up perspective and provide physically motivated arguments for understanding its local topological markers and associated local measure of topological protection. In doing so, we provide numerous examples of the framework’s application to a variety of topological classes, including crystalline and higher-order topology. We then show how Maxwell’s equations can be reformulated to be compatible with the spectral localizer framework, including the possibility of radiative boundary conditions. To aid in this introduction, we also provide a physics-oriented introduction to multi-operator pseudospectral methods and numerical K-theory, two mathematical concepts that form the foundation for the spectral localizer framework. Finally, we provide some mathematically oriented comments on the C*-algebraic origins of this framework, including a discussion of real C*-algebras and graded C*-algebras that are necessary for incorporating physical symmetries. Looking forward, we hope that this tutorial will serve as an approachable starting point for learning the foundations of the spectral localizer framework.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

SU-F-J-77: Variations in the Displacement Vector Fields Calculated by Different Deformable Image Registration Algorithms Used in Helical, Axial and Cone-Beam CT Images of a Mobile

Purpose: To investigate quantitatively the displacement-vector-fields (DVF) obtained from different deformable image registration algorithms (DIR) in helical (HCT), axial (ACT) and cone-beam CT (CBCT) to register CT images of a mobile phantom and its correlation with motion amplitudes and frequencies. Methods: HCT, ACT and CBCT are used to image a mobile phantom which includes three targets with different sizes that are manufactured from water-equivalent material and embedded in low density foam. The phantom is moved with controlled motion patterns where a range of motion amplitudes (0–40mm) and frequencies (0.125–0.5Hz) are used. The CT images obtained from scanning of the mobile phantom are registered with the stationary CT-images using four deformable image registration algorithms including demons, fast-demons, Horn-Schunk and Locas-Kanade from DIRART software. Results: The DVF calculated by the different algorithms correlate well with the motion amplitudes that are applied on the mobile phantom where maximal DVF increase linearly with the motion amplitudes of the mobile phantom in CBCT. Similarly in HCT, DVF increase linearly with motion amplitude, however, its correlation is weaker than CBCT. In ACT, the DVF’s do not correlate well with the motion amplitudes where motion induces strong image artifacts and DIR algorithms are not able to deform the ACT image of the mobile targets to the stationary targets. Three DIR-algorithms produce comparable values and patterns of the DVF for certain CT imaging modality. However, DVF from fast-demons deviated strongly from other algorithms at large motion amplitudes. Conclusion: In CBCT and HCT, the DVF correlate well with the motion amplitude of the mobile phantom. However, in ACT, DVF do not correlate with motion amplitudes. Correlations of DVF with motion amplitude as in CBCT and HCT imaging techniques can provide information about unknown motion parameters of the mobile organs in real patients as demonstrated in this phantom visibility study.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Machine Learning Prediction of H Adsorption Energies on Ag Alloys

Adsorption energies on surfaces are excellent descriptors of their chemical properties, including their catalytic performance. This has prompted a significant amount of work towards efficiently predicting adsorption energies without performing expensive quantum chemical calculations, based on semi-empirical or data scientific models. Here, we develop machine learning models to predict H adsorption energies on stepped Ag surface alloys using a database of energies obtained from first-principles electronic structure calculations based on density functional theory. Starting with a simple model and iteratively refining the features extracted from the calculations, we determine the key characteristics of successful models, and reduce the number of features required for accurate prediction of the adsorption energy. We find that nonlinear models are essential for accurate predictions. Moreover, detailed comparison of model predictions and calculations reveal a counterintuitive "selfpassivation" induced by some alloying elements, as well as unexpected discontinuous electronic structure effects. These findings are rationalized using tight-binding model hamiltonians and by analyzing the electronic density of states. Lastly, we show that we can estimate the reliability of a particular prediction, mitigating the effects of errors in the small fraction of cases where these errors are significant.

36 MATERIALS SCIENCE↗
DOE OSTI2016

SU-F-T-477: Investigation of DEFGEL Dosimetry Using MRI

Purpose: The DEFGEL dosimeter/phantom allows for the measurement of 3D dose distributions while maintaining tissue equivalence and deformability. Although DEFGEL is traditionally read out with optical CT, the use of MRI would permit the measurement of 3D dose distributions in optically interfering configurations, like while embedded in a phantom. To the knowledge of the authors, this work is the first investigation that uses MRI to measure dose distributions in DEFGEL dosimeters. Methods: The DEFGEL (6%T) formula was used to create 1 cm thick, 4.5 cm diameter cylindrical dosimeters. The dosimeters were irradiated using a Varian Clinac 21EX linac. The MRI based transverse relaxation rate (R2) of the gel was measured in a central slice of the dosimeter with a Spin-Echo (SE) pulse sequence on a 3T GE SIGNA PET/MR scanner. The R2 values were fit to a monoexponential dose response equation using in-house software (MATLAB). Results: The data was well fit using a monoexponential fit for R2 as a function of absorbed dose (R{sup 2} = 0.9997). The fitting parameters of the monoexponential fit resulted in a 0.1229 Gy{sub −1}s{sub −1} slope. The data also resulted in an average standard deviation of 1.8% for the R2 values within the evaluated ROI. Conclusion: The close fit for the dose response curve shows that a DEFGEL based dosimeter can be paired with a SE MRI acquisition. The Type A uncertainty of the MRI method shows adequate precision, while the slope of the fit curve is large enough that R2 differences between different gel doses are distinguishable. These results suggest that the gel could potentially be used in configurations where an optical readout is not viable, such as measurements with the gel dosimeter positioned inside larger or optically opaque phantoms. This work is partially funded by NIH grant R01CA190298.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

BigNeuron: a resource to benchmark and predict performance of algorithms for automated tracing of neurons in light microscopy datasets

BigNeuron is an open community bench-testing platform with the goal of setting open standards for accurate and fast automatic neuron tracing. We gathered a diverse set of image volumes across several species that is representative of the data obtained in many neuroscience laboratories interested in neuron tracing. Here, we report generated gold standard manual annotations for a subset of the available imaging datasets and quantified tracing quality for 35 automatic tracing algorithms. The goal of generating such a hand-curated diverse dataset is to advance the development of tracing algorithms and enable generalizable benchmarking. Together with image quality features, we pooled the data in an interactive web application that enables users and developers to perform principal component analysis, t-distributed stochastic neighbor embedding, correlation and clustering, visualization of imaging and tracing data, and benchmarking of automatic tracing algorithms in user-defined data subsets. The image quality metrics explain most of the variance in the data, followed by neuromorphological features related to neuron size. Furthermore, we observed that diverse algorithms can provide complementary information to obtain accurate results and developed a method to iteratively combine methods and generate consensus reconstructions. The consensus trees obtained provide estimates of the neuron structure ground truth that typically outperform single algorithms in noisy datasets. However, specific algorithms may outperform the consensus tree strategy in specific imaging conditions. Finally, to aid users in predicting the most accurate automatic tracing results without manual annotations for comparison, we used support vector machine regression to predict reconstruction quality given an image volume and a set of automatic tracings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Mid- and long-term runoff predictions by an improved phase-space reconstruction model

In recent years, the phase-space reconstruction method has usually been used for mid- and long-term runoff predictions. However, the traditional phase-space reconstruction method is still needs to be improved. Using the genetic algorithm to improve the phase-space reconstruction method, a new nonlinear model of monthly runoff is constructed. The new model does not rely heavily on embedding dimensions. Recognizing that the rainfall–runoff process is complex, affected by a number of factors, more variables (e.g. temperature and rainfall) are incorporated in the model. In order to detect the possible presence of chaos in the runoff dynamics, chaotic characteristics of the model are also analyzed, which shows the model can represent the nonlinear and chaotic characteristics of the runoff. The model is tested for its forecasting performance in four types of experiments using data from six hydrological stations on the Yellow River and the Yangtze River. Results show that the medium-and long-term runoff is satisfactorily forecasted at the hydrological stations. Not only is the forecasting trend accurate, but also the mean absolute percentage error is no more than 15%. Moreover, the forecast results of wet years and dry years are both good, which means that the improved model can overcome the traditional ‘‘wet years and dry years predictability barrier,’’ to some extent. The model forecasts for different regions are all good, showing the universality of the approach. Compared with selected conceptual and empirical methods, the model exhibits greater reliability and stability in the long-term runoff prediction. Our study provides a new thinking for research on the association between the monthly runoff and other hydrological factors, and also provides a new method for the prediction of the monthly runoff. - Highlights: • The improved phase-space reconstruction model of monthly runoff is established. • Two variables (temperature and rainfall) are incorporated in the model. • Chaotic characteristics of the model are also analyzed. • The forecast results of the mid and long-term runoff in six stations are accurate.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Development of PET/MRI with insertable PET for simultaneous PET and MR imaging of human brain

Purpose: The purpose of this study was to develop a dual-modality positron emission tomography (PET)/magnetic resonance imaging (MRI) with insertable PET for simultaneous PET and MR imaging of the human brain. Methods: The PET detector block was composed of a 4 × 4 matrix of detector modules, each consisting of a 4 × 4 array LYSO coupled to a 4 × 4 Geiger-mode avalanche photodiode (GAPD) array. The PET insert consisted of 18 detector blocks, circularly mounted on a custom-made plastic base to form a ring with an inner diameter of 390 mm and axial length of 60 mm. The PET gantry was shielded with gold-plated conductive fabric tapes with a thickness of 0.1 mm. The charge signals of PET detector transferred via 4 m long flat cables were fed into the position decoder circuit. The flat cables were shielded with a mesh-type aluminum sheet with a thickness of 0.24 mm. The position decoder circuit and field programmable gate array-embedded DAQ modules were enclosed in an aluminum box with a thickness of 10 mm and located at the rear of the MR bore inside the MRI room. A 3-T human MRI system with a Larmor frequency of 123.7 MHz and inner bore diameter of 60 cm was used as the PET/MRI hybrid system. A custom-made radio frequency (RF) coil with an inner diameter of 25 cm was fabricated. The PET was positioned between gradient and the RF coils. PET performance was measured outside and inside the MRI scanner using echo planar imaging, spin echo, turbo spin echo, and gradient echo sequences. MRI performance was also evaluated with and without the PET insert. The stability of the newly developed PET insert was evaluated and simultaneous PET and MR images of a brain phantom were acquired. Results: No significant degradation of the PET performance caused by MR was observed when the PET was operated using various MR imaging sequences. The signal-to-noise ratio of MR images was slightly degraded due to the PET insert installed inside the MR bore while the homogeneity was maintained. The change of gain of the 256 GAPD/scintillator elements of a detector block was <3% for 60 min, and simultaneous PET and MR images of a brain phantom were successfully acquired. Conclusions: Experimental results indicate that a compact and lightweight PET insert for hybrid PET/MRI can be developed using GAPD arrays and charge signal transmission method proposed in this study without significant interference.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Modeling and Optimization of a Rotating Packed Bed Contactor with a Tetraamine-Appended Metal−Organic Framework for CO 2 Capture

A potential contactor technology for sorbent-based CO 2 capture is the rotating packed bed that contains separate sections for continuous adsorption and desorption. A heat exchanger can be embedded to remove heat in the adsorption section and add heat in the desorption section. In this work, we develop a two-dimensional (2D) model of a rotating packed bed for use in CO 2 capture applications. Mass and energy balances for the model are developed based on a Ljungström-type air preheater, which accounts for the counter-current axial flow of gas phases in separate sections of the bed and the rotation of a solid sorbent, which cycles between adsorption and desorption sections. The sorbent used for this analysis is the tetraamine-appended metal−organic framework Mg 2 (dobpdc)(3−4− 3), chosen for its stability and affinity for CO 2 at low partial pressures, such as those from a natural gas power plant source. An optimization problem is solved that considers the trade-off between maximizing the productivity of the bed and minimizing energy consumption. Maximum productivity and minimum energy are found to be 8.53 kg/h/m 3 and 3.84 MJ/kg, respectively, when these objectives are optimized independently. It is observed that the flue gas pressure and bed rotational speed are the desired operating variables to vary for model-based design of experiments to reduce uncertainty in parameter estimation, as these two variables yielded the most information content based on the Fisher information matrix.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2026

ZTF-SEDm Type Ia supernova sample for Twins Embedding spectrophotometric standardization

Aims. This paper has two aims: the first aim is to build a large homogeneous spectrophotometric sample of Type Ia supernovae (SNe Ia) from the second data release of the Zwicky Transient Facility (ZTF DR2). We used the spectrum sample from the low-resolution ( R ∼ 100) SEDmachine (SEDm) Integral Field Spectrograph (IFS) that gathered 3069 spectra. This is one of the largest samples of such collections that can attempt to reproduce the Twins Embedding (TE) spectrophotometric standardization method. This is our second objective. The method was developed based on high-quality spectra from 200 SNe Ia of the Nearby Supernova factory (SNfactory) and led to an exceptionally low value of 0.073 mag for the intrinsic scatter. Methods. As the SEDm is not designed as a spectrophotometric instrument, we first improved the flux-calibration accuracy of the SN Ia spectrum sample using the ZTF photometric data, which were calibrated at the percent level. We corrected the spectra for second-order polynomials, fitted by comparing the synthetic photometry in the ZTF g , r , i filters with the light-curve (LC) data. We then applied the three steps of the TE parameterization to a subset of 783 ZTF SN spectra near maximum light while comparing results from SNfactory and ZTF. We finally analyzed the standardization methods based on the TE parameters. Results. The precision of the phase-correction model, which is the first step of the TE, is estimated at 0.01 mag in g band based on ZTF data. Despite the challenge posed by the spectrum-extraction pipeline associated with the SEDm (flux calibration, leftover host signal, low signal-to-noise ratio, and low resolution), we applied a first standardization in color based on the second step of the TE, called read between the lines (RBTL), to the ZTF sample. We reached a Hubble residual scatter of 0.153 mag, all in normalized median absolute deviation, which is to be compared to the ∼0.11 mag obtained with the SNfactory data. The SALT color and stretch standardization reaches a scatter of 0.164 mag for the same ZTF SN Ia sample, and its host steps are ∼0.1 mag and zero for RBTL. When considering the scatter due to the redshift error and flux calibration error, we estimated a RBTL scatter of ∼0.129 mag for this ZTF sample as an upper limit because we identified an additional contribution from a systematic error in color. We tested the standardization based on the nonlinear TE parameters, and, as expected from the low spectrum quality, it did not improve the overall dispersion. Conclusions. We release 1897 flux calibrated spectra of 1607 SNe Ia with an estimated photometric accuracy of 0.07 mag. We further demonstrate that some amount of spectrophotometric SN Ia standardization can be done with limited-quality spectra. The RBTL standardization is more efficient than that of SALT with one parameter less, and the resulting host steps are consistent with zero. This makes it less prone to astrophysical bias. For future spectroscopic surveys, targeting the extraction pipeline for a thorough flux calibration and good signal-to-noise ratio would enable us to compute the full TE standardization, which would further reduce the scatter in the distance estimate.

Ganot, C↗
DOE OSTI2025

Model-based iterative reconstruction with adaptive regularization for artifact reduction in electron tomography

Obtaining high-quality 3D reconstructions from electron tomography of crystalline particles embedded in lighter support elements is crucial for various material systems such as catalysts for fuel cell applications. However, significant challenges arise due to the limited tilt range, sparse and low signal-to-noise ratio of the measurements. In addition, small metal particles can cause strong streaking and shading artifacts in the 3D reconstructions when using conventional reconstruction algorithms due to the presence of Bragg diffraction and the large scattering cross-section difference between the materials of the particles and the background support regions. These artifacts lead to errors in the downstream characterization affecting extraction of critical features such as the size of the metal particles, their distribution and the volume of the lighter support regions. In this paper, we present a two-stage algorithm based on metal artifact reduction, utilizing model-based iterative reconstruction methods with adaptive adjustment of regularization parameters. Our approach yields high-quality 3D reconstructions compared to traditional algorithms, accurately capturing both the metal particles as well as the background support. We demonstrate the effectiveness of our algorithm through simulated and experimental bright-field electron tomography data, showing significant improvements in reconstruction quality compared to traditional methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Advanced Analytics Studies Applied to US Department of Veterans Affairs' Corporate Data Warehouse (Initial Draft)

In this report, we describe our experience of applying several advanced analytics algorithms to the US Department of Veterans Affairs’ (VA’s) Corporate Data Warehouse (CDW) electronic health records datasets during FY2017-18. While various algorithms were applied to the CDW data, the main goal of this effort was to provide useful insights into the operational aspects (as opposed to the purely clinical aspect) of this specific implementation. Since there are not many reports in the public literature on advanced analytics applied to this data, this report provides unique insight in this regard. We focused on two machine learning (ML) applications: (1) clinical pathway inference (patterns dominating clinical pathways applied to a male dataset of Stable Ischemic Heart Disease patients as use case) and (2) medical-concept representation learning’s capability to inform and refine cohort membership based on probable patient outcomes. During our study on clinical pathway inference, we used two main modeling techniques: (a) topic probabilistic modeling (latent Dirichlet allocation [LDA]) and (b) feature imbedding. We observed that the applicability of LDA to the pathway inference remains in question. LDA provides results that are intuitive and easy for humans to comprehend; however, when applied to the pathway inference, it also generates pathway patterns that consist of a few dominant pathway components. In addition, LDA provides no information regarding the relationships among components in the same pathway. The outputs of LDA are also found to categorize patients based on their trace data of clinical procedures. However, the results suggest that LDA is biased toward statistically dominant components. This makes it particularly hard to discriminate pathway subbranches. To address the issue, we designed a new pathway inference methodology that integrates temporal ordering of pathway components into LDA results, as existing feature embedding tools such as word2vec are not readily applicable to our task. In addition, we developed our own feature embedding tool customized for patient traces. We conclude this study by suggesting two approaches to use embedding representation of a component into LDA and briefly list our lessons learned and recommendations for future work. For our study on medical-concept representation learning ability to inform and refine cohort membership based on probable patient outcomes, during our empirical evaluation we compared methods from medical-concept learning to standard one of a kind (one-of-K) encoding to evaluate the change in effectiveness as done in Choi, Schuetz, Stewart, and Sun (2016). We performed two primary empirical evaluations. The first evaluation was on a curated collection of 60,000 patients with no more than 1 year of medical history included. The second was a collection of patients with no restriction to the amount of medical history included. The hypothesis across both evaluations is that representation learning is broadly useful independent of downstream processing models; thus, for each experiment, we trained three models—a logistic regression model, a two-layer neural network model, and a nearest-neighbor model—and then averaged the results. Each model was trained using fivefold cross validation. We provided evidence that medical-representation learning improves predictions of the primary diagnosis category of a short patient history through 12 experiments. In addition, we provided evidence that medical-representation learning fails to improve prediction of the primary diagnosis category of an arbitrarily long patient history through 12 experiments. We conclude this study with a brief list of our lessons learned and recommendations for future work. We conclude the report with a discussion of recent technology trends as they relate to our artificial intelligence and, more specifically, to our ML research and approaches as described previously.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Explaining and predicting human behavior and social dynamics in simulated virtual worlds: reproducibility, generalizability, and robustness of causal discovery methods

Ground Truth program was designed to evaluate social science modeling approaches using simulation test beds with ground truth intentionally and systematically embedded to understand and model complex Human Domain systems and their dynamics Lazer et al. (Science 369:1060–1062, 2020). Our multidisciplinary team of data scientists, statisticians, experts in Artificial Intelligence (AI) and visual analytics had a unique role on the program to investigate accuracy, reproducibility, generalizability, and robustness of the state-of-the-art (SOTA) causal structure learning approaches applied to fully observed and sampled simulated data across virtual worlds. In addition, we analyzed the feasibility of using machine learning models to predict future social behavior with and without causal knowledge explicitly embedded. In this paper, we first present our causal modeling approach to discover the causal structure of four virtual worlds produced by the simulation teams—Urban Life, Financial Governance, Disaster and Geopolitical Conflict. Our approach adapts the state-of-the-art causal discovery (including ensemble models), machine learning, data analytics, and visualization techniques to allow a human-machine team to reverse-engineer the true causal relations from sampled and fully observed data. We next present our reproducibility analysis of two research methods team’s performance using a range of causal discovery models applied to both sampled and fully observed data, and analyze their effectiveness and limitations. We further investigate the generalizability and robustness to sampling of the SOTA causal discovery approaches on additional simulated datasets with known ground truth. Our results reveal the limitations of existing causal modeling approaches when applied to large-scale, noisy, high-dimensional data with unobserved variables and unknown relationships between them. We show that the SOTA causal models explored in our experiments are not designed to take advantage from vasts amounts of data and have difficulty recovering ground truth when latent confounders are present; they do not generalize well across simulation scenarios and are not robust to sampling; they are vulnerable to data and modeling assumptions, and therefore, the results are hard to reproduce. Finally, when we outline lessons learned and provide recommendations to improve models for causal discovery and prediction of human social behavior from observational data, we highlight the importance of learning data to knowledge representations or transformations to improve causal discovery and describe the benefit of causal feature selection for predictive and prescriptive modeling.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Transient Efficiency, Flexibility, and Reliability Optimization of Coal-Fired Power Plants - Final Report

This program developed an advanced model-based monitoring and model-predictive control algorithms for a coal fired power plant (CFPP), and deployed these algorithms in a real-time platform to demonstrate performance benefits for transient flexibility and plant operation efficiency. More specifically, the objectives were successfully achieved through a combination of (i) developing a high-fidelity transient plant model in Apros, which was used as a high-fidelity plant simulation between $100-50\% TMCR$ where TMCR denotes the turbine maximum continuous rating, i.e., baseload, (ii) developing a very fast physics-based reduced-order model (ROM) of the plant, which ran more than $100\times$ faster than real-time, enabling its use as real-time embedded model for model-based estimation (MBE) and model predictive control (MPC) (iii) implementing a real-time MBE based on ROM using a robust unscented Kalman filter (UKF) to continuously tune the ROM to match the measurements from high-fidelity Apros plant model despite significant plant-model mismatch, and thus, obtain a Digital Twin of the plant (iv) designing and implementing a real-time MPC with dual objectives of transient plant load tracking with high ramp rates and minimizing coal consumption, i.e., improving plant efficiency in the baseload-partload operation range of $100-50\% TMCR$. Each key element above was developed and tested individually, and has been reported in corresponding Topical Reports. Finally, all the individual elements were integrated in an overall closed-loop system, that was successfully tested in desktop Simulink test harness simulations with ROM or high-fidelity model as the plant. Thereafter, the Simulink implementation was used to auto-generate C-code and deploy as real-time Docker microservice containers in Linux, and validate that they can run in real-time in the hardware-in-the loop (HIL) setup and produce the same results as in Simulink. The results of the integrated simulation tests in Simulink as well as the real-time HIL deployment are documented in this final report, showing good load tracking for load ramps at $3-4\%/min$ ramp rates, and achieving up to $5.5\%$ reduction in coal relative to baseline operation at $50\% TMCR$ load. The desktop and HIL simulations show successful performance of the overall model based estimation and control solution and achieve the key objectives of the program for flexible, efficient and reliable operation of subcritical coal fired power plants.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2019

Comparative Assessment of Experimental Testing of Instrument with an Embedded Digital Device Using Model-Based and Conventional Methods

The use of digital equipment has not been widespread in U.S. nuclear facilities. A major contributing factor to this situation arises from regulatory concerns about common cause failures (CCFs) stemming from the use of identical software in redundant systems, questions as to how to quantify the reliability of software-based products, validity of tools that are used for software verification and validation (V&V), and the effectiveness of software QA procedures. Compounding the concerns are sporadic incidents of digital equipment malfunctions in nuclear power plants, including lockups resulting from software memory leaks, feedwater control malfunctions due to excessive traffic on Ethernet networks, software logic errors, and other problems leading to plant trips. Additionally, the limited amount of demonstrated research and a lack of industry consensus on quantitative software reliability methodologies has hindered the widespread adoption of digital I&C in the nuclear industry. In a recent Regulatory Issue Summary (RIS), the U.S. Nuclear Regulatory Commission (NRC) identified concerns about the impact of greater use of instrumentation and control (I&C) equipment with an embedded digital device (EDD) [1]. Specifically, the NRC staff states that increased use of such devices “may increase a facility’s vulnerability to a CCF” (i.e., common-cause failure). The prevailing NRC guidance regarding software CCF (SCCF) identifies two design attributes that are acceptable for eliminating CCF concerns: (1) diversity or (2) testability (specifically, 100% testability). Either solution can result in high costs and remaining licensing uncertainty (i.e., how much diversity is enough? how to ensure test coverage of every possible sequence of device states?). Consequently, many utilities and reactor designers have limited or avoided more extensive use of digital technology to minimize licensing, scheduling, and financial risk. Without development of cost effective qualification methods to satisfy regulatory requirements and address the potential for CCF vulnerability associated with EDDs, the nuclear power industry may not be able to realize the benefits of digital technology achieved by other industries. In order to address these challenges, the U.S. Department of Energy (DOE) is sponsoring this research to assess the prospect of CCF in digital I&C equipment. The purpose of the current research is to develop an effective approach employing science-based methods to resolve concerns about CCF vulnerability that serve to inhibit deployment of advanced instrumentation (e.g., sensors, actuators, microcontrollers) with EDDs in nuclear power applications. The research objectives address the challenge of establishing high levels of safety and reliability assurance needed for the qualification of EDDs (e.g., microprocessors, programmable logic devices) that are subject to software design faults, complex failure modes, and CCF vulnerability. Specific objectives are: (1) assess the regulatory context for treatment of CCF vulnerability a graded approach to their qualification, (3) develop and extend model-based testing methods to enable effective demonstration of whether devices are subject to CCF, which may arise from vulnerabilities introduced at any stage of the design lifecycle, (4) establish a cost-effective testing framework that incorporates automation and test scenario prioritization, and (5) demonstrate the qualification approach through selection and testing of candidate digital device(s). This report documents an assessment of the results from experimental testing of a representative instrument with an embedded digital device. The experiment serves as a proof-of-concept demonstration of a model-based testing (MBT) framework. The objective of MBT is to ensure that an EDD undergoes suitably comprehensive testing to establish that it is not subject to SCCF. The approach by which MBT accomplishes this objective is through development and application of an effective test suite that provides the appropriate coverage to detect the full range of postulated faults that may arise at the requirements, design, and code (implementation) level of the EDD software. The findings of the experiment involve the application of the MBT framework by Ohio State University (OSU) through testing of the selected demonstration instrument (i.e., the prototype smart pressure sensor developed by Virginia Commonwealth University, VCU). In addition, the experiment findings also involve application of a more conventional black-box testing approach that serves as a baseline against which the MBT methodology can be compared. The primary outcome documented in this report is the comparative analysis of the capabilities demonstrated for each method. The results of the analysis demonstrate clear benefits that arise from the MBT methodology. The comparison indicates greater effectiveness from the more comprehensive evidence available through MBT and enhanced efficiency achieved through automation within the MBT framework. The structure of the report addresses the approach and application of each test method as well as the comparative analysis of the experimental results. Chapter 2 gives a summary overview of the demonstration approach. Chapter 3 covers the baseline testing and Chapter 4 documents the model-based testing. Chapter 5 describes the findings of the comparative analysis and presents the conclusions that can be drawn about the effectiveness and efficiency of the MBT methodology.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Towards Vendor and Operating System Independence of USB-based portable multi-channel analyzers

The nuclear measurements group is called on to develop portable, user friendly systems that performs at, or near, laboratory standards. These systems typically consist of a detector and a USB-based multi-channel analyzer. An ORTEC digi-Base is an example of a USB-based portable multi-channel analyzer with 14-pin photomultiplier tube base for gamma-ray spectroscopy applications with NaI(Tl) and other scintillation detectors. Operating system independence - we want to be able to develop applications that are 'future-proof' and can run on the best hardware for the job: desktop, laptop, tablet, phone, or embedded device. To do that we need our software to be operating system independent. Hardware vendor independence - to use the most appropriate equipment for the job, while still maintaining our rapid method development, we would like our software that uses this equipment to be independent of the specific vendor or model of the hardware. To do that we need a common interface to each vendor's equipment (high voltage, gain, start, stop, clear, etc.) In prior work, we were able to use an existing library to communicate with an ORTEC digi-base via Linux and Android. However the application developed did not have a user friendly front-end. Part of this work was to develop a simple user interface to control the settings of the hardware from Android. While OS independence is the final goal, another goal is standardized software for user-application development. For current purposes those standard systems are Windows 7, Windows 10, and Python 3. Our next step was to develop a common software interface between a front-end user interface and back-end hardware communication software. This was done using Python's Ctypes library. Ctypes is a foreign function library for Python. It provides C compatible data types, and allows calling functions in DLLs or shared libraries. It can be used to wrap these libraries in pure Python. Ctypes exports the cdll, and Windows windll and oledll objects, for loading dynamic link libraries. You load libraries by accessing them as attributes of these objects. cdll loads libraries which export functions using the standard cdecl calling convention. The first steps of developing the common software interface have been done. Once the software interface has been developed the next goal will be to develop hardware specific back-end software that way rapid user facing software can be developed using equipment that is 'on-hand' and once finished prototyping, the 'best' hardware can be chosen for the specific implementation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Athena-I CUBIT Journal Files

The Monte Carlo N-Particle (MCNP)1 transport code version 6 (also known as MCNP6) has the capability for tracking particles on unstructured mesh (UM) geometry models embedded into con structive solid geometry (CSG) cells. This feature has been developed for performing calculations of complex geometry models because manually creating CSG models is a time-consuming and error prone process as the complexities of geometries increase. The UM capability was originally designed to work with UM models created with the Abaqus software and ASCII input files that it generates. The MCNP code version 6.0 and later can process UM models formatted as Abaqus input files. Starting with version 6.3, MCNP can also process HDF5 mesh input files. External codes must be used to generate Abaqus input files for MCNP UM calculations. CUBIT, the Sandia National Laboratory automated mesh generation toolkit, can generate a UM model formatted as an Abaqus input file. However, the Abaqus input files exported from CUBIT cannot be used for MCNP simulations because it lacks the proper syntax. A Python script was developed to convert an Abaqus file created by CUBIT to an Abaqus file format that MCNP can process. Creating UM models for complex geometries is not an easy task. The process of creating UM models in CUBIT for MCNP simulations is detailed in. CUBIT provides several user interface options including a graphical user interface (GUI) and a command line interface. A GUI provides an easy way to use CUBIT without learning the CUBIT command syntax. When using CUBIT with either interface option, command lines are written into an ASCII file known as a journal file; this journal file can be edited and archived so that it can be played back in CUBIT to automatically generate a UM model. This report describes the CUBIT journal files of the UM models developed for Athena-I. The Athena platform, an energy-tuning assembly, was developed to spectrally shape the National Ignition Facility (NIF) deuterium-tritium fusion neutron source to a thermonuclear (fusion) plus prompt fission neutron spectrum with capability to act as a short-pulse neutron source. MCNP6 was used for the Athena experiment design analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

LES simulations of a vacuum membrane distillation channel with geometric alterations

3D LES simulations were carried out to study the performance of a vacuum membrane distillation module. A wiggly wall profile with/without embedded stiffeners was considered to alleviate axial and radial temperature polarization, the cause of performance decrease in membrane distillation. Results of the flow field show the wiggles create unsteady vortex shedding inducing intense mixing in the channel. Vortex shedding intensity increases as the Reynolds number increases or stiffeners are added. 3D results show a 56% improvement in flux when moving from a flat sheet membrane to a wiggly membrane with stiffeners at a constant Reynolds number, corresponding to an improvement from 11.7 to 41.7 in the Nusselt number, showing that the alterations improved the flux performance by enhancing the heat transfer along the membrane surface and therefore alleviating temperature polarization, a critical bottleneck in membrane distillation systems. Further, a merit criterion was defined based on the Nusselt number and friction factor, and a 40% increase in merit was shown switching from a flat to a wiggly channel, while a 97% merit increase was seen going from flat to wiggly with stiffeners. A 42% enhancement in the flux was also seen moving from a straight channel to a wiggly channel at a higher Reynolds number which highlights the importance of strategically choosing the mass flow rate, as well as inducing flow separation and vortex shedding in the channel to promote mixing and dissipate the thermal boundary layer. The variation in results between the wiggly module with stiffeners and the wiggly module at high Reynolds numbers suggests enhancing mixing structures can be more impactful on flux for this geometry than increasing the flow rate to a turbulent/transitional regime. However, both are preferable for peak system flux performance. Furthermore, a 2D approximation was used to perform simulations on more extended channels to examine the length degradation. The modules with wiggly channels performed at the same flux level with a doubling of the length. On the other hand, the flat sheet modules experienced length degradation by temperature polarization and dropped in flux yield by around 13% of the short-channel value. This work illustrates that modeling the system and understanding how the performance decreases as the membrane surface area increases are critical for a larger module (scaling up from a lab to a prototype module) to maintain high flux performance.

42 ENGINEERING↗