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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A deep learning-guided automated workflow in LipidOz for detailed characterization of fungal fatty acid unsaturation by ozonolysis

Understanding fungal lipid biology and metabolism is critical for antifungal target discovery as lipids play central roles in cellular processes. Nuances in lipid structural differences can significantly impact their functions, making it necessary to characterize lipids in detail to enable and understanding of their roles in these complex systems. In particular, lipid double bond (DB) locations are an important component of lipid structure that can only be determined using a few specialized analytical techniques. Ozone-induced dissociation mass spectrometry (OzID-MS) is one such technique that uses ozone to break lipid DBs, producing pairs of characteristic fragments that allow the determination of DB positions. In this work we apply OzID-MS and LipidOz software to analyze the complex lipids of Saccharomyces cerevisiae yeast strains transfected with different fatty acid desaturases from Histoplasma capsulatum to determine the specific unsaturated lipids produce. The automated data analysis in LipidOz made the determination of DB positions from this large dataset more practical, but manual verification for all targets was still time-consuming. The DL model reduces manual involvement in data analysis, but since it was trained using mammalian lipid extracts, the prediction accuracy on yeast-derived data was reduced. We addressed both shortcomings by retraining the DL model to act as a pre-filter to prioritize targets for automated analysis, providing confident manually verified results but requiring less computational time and manual effort. Our workflow resulted in the determination of novel DB positions and enzymatic specificity.

mass spectrometry, deep learning, Lipidomics, doub↗
DOE OSTI2024

Global constraint on the jet transport coefficient from single-hadron, dihadron, and γ -hadron spectra in high-energy heavy-ion collisions

Modifications of large transverse momentum single-hadron, dihadron, and γ -hadron spectra in relativistic heavy-ion collisions are direct consequences of parton-medium interactions in the quark-gluon plasma (QGP). The interaction strength and underlying dynamics can be quantified by the jet transport coefficient q ̂ . We carry out the first global constraint on q ̂ using a next-to-leading order pQCD parton model with higher-twist parton energy loss and combining world experimental data on single-hadron, dihadron, and γ -hadron suppression at both RHIC and LHC energies with a wide range of centralities. The global Bayesian analysis using the information field (IF) priors provides the most stringent constraint on q ̂ ( T ) . We demonstrate in particular the progressive constraining power of the IF Bayesian analysis on the strong temperature dependence of q ̂ using data from different centralities and colliding energies. We also discuss the advantage of using both inclusive and correlation observables with different geometric biases. As a verification, the obtained q ̂ ( T ) is shown to describe data on single-hadron anisotropy at high transverse momentum well. Predictions for future jet quenching measurements in oxygen-oxygen collisions are also provided. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

A critical review on additive manufacturing of refractory alloys from a data analytics perspective- beyond nickel-based superalloys

Refractory alloys (RAs) are promising materials due to their exceptional physicochemical properties, but most research remains at the laboratory scale. For broader adoption, advancements in manufacturing are essential. Because their high stability makes conventional methods like machining and casting difficult, additive manufacturing (AM) is emerging as an effective approach for fabricating refractory alloy components. However, AM's repeated non-equilibrium thermal cycles introduce undesired features (e.g. defects, anisotropic microstructures, and residual stresses), which are magnified due to RAs’ unique properties. This paper comprehensively reviews the state-of-the-art methods of AM for refractory alloys. It explores data analytics techniques to establish design rules based on multi-fidelity experimental and computational methods. Furthermore, it investigates integrated, collaborative efforts to harmonise standalone databases, information, knowledge, and predictive models at multi-physics, multi-stage, and multi-scale. Unlike the existing literature that focuses primarily on material systems or process fundamentals, this work provides an integrated perspective on AM of refractory alloys from a data analytics standpoint, highlighting the roles of integrated computational materials engineering (ICME), verification, validation, and uncertainty quantification (VV&UQ), and digital twin-driven qualification in overcoming data scarcity and accelerating rapid qualification.

Additive manufacturing↗
DOE OSTI2025

The Henkin-McGill critical temperature test for explosives revisited: An overview of historical and modern method development

Many overarching standards, regulations, or other requirements necessitate that the critical temperature (T crit ) of an energetic material be known or estimate prior to operations such as heating. However, they rarely, if ever, provide a specific method for doing so. While other methods exist to calculate T crit , such as the Frank-Kamenetskii equation, computer simulation, etc., these cannot be readily utilized for energetics that are physical mixtures (i.e. most pyrotechnics) or materials where detailed material properties required for such calculations are lacking. Here, in this study, a COTS (commercial off-the-shelf) SBAT (Simulated Bulk Auto-ignition Test) apparatus is modified to perform Henkin cookoff tests. This creates a simple, efficient, and cost-effective solution to estimate required T crit values for energetic materials. After a historical overview of the evolution of the Henkin test, several common energetic materials (PETN, RDX, etc.) for which T crit has been readily calculated, and historical data is available, were analyzed for comparison and verification purposes. This was followed by a variety of pyrotechnic mixtures and other materials to where calculation methods cannot be readily used. The modified apparatus, as well as an updated sample shell sealing method, produced results that aligned well with historical data. It also produced reasonable T crit estimates for those materials where the Frank-Kamenetskii equation cannot be applied.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Validation of ORIGEN for VVER-440 Spent Fuel with Application to Fork Detector Safeguards Measurements

The US Department of Energy National Nuclear Security Administration and the European Atomic Energy Community (Euratom) are collaborating with the Radiation and Nuclear Safety Authority in Finland to assess spent fuel verification methods for potential application to measurements at the planned spent fuel encapsulation plant and geological repository prior to final disposal in Finland. The fork detector (FDET) used to measure the neutron and gamma radiation from a given spent fuel assembly is an existing technology widely used by the International Atomic Energy Agency (IAEA) and Euratom for the safeguards verification of spent fuel operator declaration. Recently, an FDET data analysis software, referred to as the ORIGEN module, was developed and incorporated into the IAEA/Euratom Integrated Review and Analysis Program. This module uses the ORIGEN burnup code to calculate the nuclide concentrations and the neutron and gamma source terms in the spent fuel based on operator declarations. Then, to predict the expected FDET signals for a given fuel assembly, the module combines the source terms calculated by ORIGEN with FDET response functions that were pre-generated using MCNP models. The inspector can compare the calculated signals to the measured values in real time to identify possible anomalies in fuel assembly’s operator declaration, integrity, or measurement. In this work, the capability of the ORIGEN module was extended from application to typical light water reactor fuels to use for VVER-440 assembly types. The accuracy of ORIGEN for this type of fuel assembly calculations was assessed by comparing calculated nuclide concentrations against destructive assay measurements for VVER-440 spent fuel. The performance of the ORIGEN module for FDET safeguards verification in routine inspections was assessed using FDET measurement data for 13 spent VVER-440 assemblies that were measured at the Loviisa Nuclear Power Plant in Finland, by comparing the calculated signals to the measured quantities. The results show that the calculated FDET neutron and gamma detector signals are generally within 12% of the measurements except for one assembly. Thus, these results are applicable to future safeguards verification in the planned Finland encapsulation plant, such as for passive neutron albedo reactivity safeguards measurements.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2025

Theorems in Service of Sound Composition, Rapid Modeling and Scalable Analysis

This project extends the state of the art in formal verification modeling with modules and automatically checkable data-sharing patterns such that component modules can retain their assurance case when composed within a larger system. For users, smaller models make reasoning easier and help to ensure they accurately reflect text specifications. For automated methods, smaller models give exponential benefits for verification algorithm execution time.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Modeling, Validation, and Control of the IEA‐15 MW Reference Wind Turbine and VolturnUS‐S Platform

This paper presents the acausal modeling, validation, and control of floating offshore wind turbines (FOWTs). The model simulates the IEA‐15 MW reference turbine and the semi‐submersible VolturnUS‐S platform utilizing a Control‐oriented, Reconfigurable, and Acausal Floating Turbine Simulator (CRAFTS), which integrates the key coupled aero‐hydro‐elasto‐servo dynamics and is being developed by authors at the University of Central Florida. Verification and validation are conducted using numerical data from the industry‐standard simulation platform OpenFAST and experimental data from the Floating Offshore‐wind and Controls Advanced Laboratory (FOCAL) project, in which the authors were involved. Numerical results demonstrate the model's ability to qualitatively capture loads and responses across various load cases, highlighting the impact of the control system under different wind and wave conditions and opening new opportunities for optimizing FOWT designs. This paper provides wind turbine researchers with valuable insights into system characteristics, system frequencies, damping effects, and internal reaction forces, serving as a reference for future studies in FOWT modeling and control.

17 WIND ENERGY↗
DOE OSTI2024

Divertor heat load estimates on NSTX and DIII-D using new and open-source 2D inversion analysis code

A thermography inversion algorithm has been developed in the open-source Python-based computer code, HYPERION, to calculate the heat flux incident on plasma-facing components (PFCs) in axisymmetric tokamaks. The chosen mesh size at the surface significantly affects the calculated transient heat flux results. The calculated transient heat flux will exceed the real value when the mesh size tends to zero but will underestimate the real value when the mesh size is large. A criterion for determining the appropriate mesh size for the transient heat flux calculation will be discussed. The numerical scheme for HYPERION uses a 2D fully implicit finite-difference approach, allowing temperature-dependent thermal properties of PFC materials. The inversion algorithm is benchmarked against established heat flux calculation codes, TACO and THEODOR, based on thermography data from NSTX and DIII-D respectively. The primary benefits of HYPERION compared to TACO and THEODOR are that it is open-source and it allows for the optimization of mesh thickness along the substrate. The algorithm also accounts for the thermal properties of thin surface layers that characteristically form on PFCs due to plasma-material interactions. The agreement between HYPERION and THEODOR is excellent, as the percent difference between the codes is ~5% on average in the case of the DIII-D data for moderate to high heat flux. Verification tests with TACO show slightly higher average percent differences of 8% and 12%. In using HYPERION to study filaments in heat flux, the initial results indicate that small ELMs filaments significantly broaden the divertor heat flux, and decrease divertor peak flux. Compared to the inter-ELM, the small ELM filaments decrease the divertor peak surface temperature. With intermittent divertor filaments, the divertor heat flux width is comparable with that found in L-mode.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Event-driven readout development: testing of the EDWARD65P1 chip with integrated event generators

Building on a prototype readout integrated circuit for segmented silicon sensors with the EDWARD event-driven readout architecture, the front-end in each pixel was replaced by a hardware generator to verify readout performance, ensuring no data loss, consistent priority handling, and speed verification. Here, this generator produces Poisson-distributed readout requests with individually tunable rates per pixel via a digitally controlled oscillator. The resulting EDWARD65P1 test ASIC is a 32×32 pixel matrix with a 100 μm pitch, equipped with digital event generators simulating radiation hits at user-defined rates. Test results for this new design are presented.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

ICARUS: new voyage to sterile neutrino search in the Short Baseline Program

The ICARUS collaboration operated the 760-ton T600 detector in a successful three-year physics run at the underground LNGS laboratories studying neutrino oscillations with the CNGS neutrino beam from CERN, and searching for atmospheric neutrino interactions. ICARUS performed a sensitive search for LSND-like anomalous νe appearance in the CNGS beam, which contributed to the constraints on the allowed parameters to a narrow region around $Δm^2=1 e\text{V}^2$, where all the experimental results can be coherently accommodated at 90% C.L. After a significant overhaul at CERN, the T600 detector has been installed at Fermilab. In 2020 cryogenic commissioning began with detector cool down, liquid Argon filling and recirculation. ICARUS has started operations and is presently in its commissioning phase with the aim of collecting its first neutrino events from the Booster Neutrino Beam and the NuMI off-axis beam. The main goal of the first year of ICARUS data taking will then be the definitive verification of the recent claim by NEUTRINO-4 short baseline reactor experiment both in the $ν_μ$ channel with the BNB and in the $ν_e$ with NuMI. After the first year of operations, ICARUS will commence its search for evidence of a sterile neutrino jointly with the SBND near detector, within the Short Baseline Neutrino (SBN) program. The ICARUS exposure to the NuMI beam will also give the possibility for other physics studies such as light dark matter searches and neutrino-Argon cross section measurements. The proposed contribution addresses ICARUS achievements, its status and plans for the new run at Fermilab and the ongoing developments of the analysis tools needed to fulfill its physics program.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Quantifying Investment Risk: Analysis of the Purchase Decision of a Nuclear Power Plant

Cost overruns are an ill-fated part of the deployment history of nuclear power plants (NPPs) in the United States, and yet studies increasingly show the important role nuclear technologies must play in decarbonizing the U.S. economy. Paradoxically, then, a key piece of a coherent decarbonization strategy depends on attracting investor action to a purchase where historical cost overruns have been sizeable. To address this challenge, this study aims to develop a financial model that quantifies risk of cost overruns in the decision-making process for purchasing advanced reactor concepts. Using the concept of Value at Risk (VaR), the model is built to evaluate financial risk nuclear construction with the aim to identify risk mitigation strategies. The objective is to identify strategies to mitigate cost-risk challenges and to assess the potential reduction in investor risk exposure. The paper presents the initial development and preliminary verification of the financial risk analysis model. The development of this model involved a comprehensive approach to estimating financial risk over the operating life of NPP that stems from construction uncertainties. By utilizing net present value (NPV) with discounted cash flows, the model captures the complex interconnections of project costs, construction timelines, revenue, and uncertainties. Verification of the model involved testing historical data from previous reactor construction projects against the construction project of Vogtle 3 and 4. The results of this paper present the comparison of the preconstruction cost overrun prediction with the current cost estimates from a nearly complete Vogtle 3 and 4.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Verification and Validation Activities for the Multi-Fidelity Toolkit

The Multi-Fidelity Toolkit (MFTK) is a simulation tool being developed at Sandia National Laboratories for aerodynamic predictions of compressible flows over a range of physics fidelities and computational speeds. These models include the Reynolds-Averaged-Navier-Stokes (RANS) equations, the Euler equations, and modified Newtonian aerodynamics (MNA) equations, and they can be invoked independently or coupled with hierarchical Kriging to interpolate between high-fidelity simulations using lower-fidelity data. However, as with any new simulation capability, verification and validation are necessary to gather credibility evidence. This work describes formal code- and solution-verification activities as well as model validation with uncertainty considerations. Code verification is performed on the MNA model by comparing with an analytical solution for flat-plate and inclined-plate geometries. Solution-verification activities include grid-refinement studies of HIFiRE-1 wind tunnel measurements, which are used for validation, for all model fidelities. A thorough treatment of the validation comparison with prediction error and validation uncertainty is also presented.

42 ENGINEERING↗
DOE OSTI2024

A Causal Approach to Model Validation and Calibration

This poster presents a novel method for validation and verification that focuses on identifying causal relationships between data elements, moving beyond traditional statistical and machine learning approaches. These methods employ causal discovery techniques to reveal the underlying mechanisms of data generation. The research utilizes structural causal models and directed acyclic graphs to depict causal relationships. This approach assists in achieving alignment between simulation models and reality.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

RTN-117: Image Calibration and Instrument Signal Removal for the First Year of the LSST

The NSF-DOE Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) requires calibration products that provide uniform, stable, and accurate photometric and astrometric performance across the 3.2 gigapixel focal plane and throughout the 10-year survey. This paper details the algorithms and workflows used to produce instrument calibrations and remove instrumental artifacts for Data Preview 2 (DP2)---the first end-to-end processing demonstration using on-sky data with the LSST Camera (LSSTCam). We describe the verification, acceptance, and certification framework used to assess calibration quality and quantify residual systematics. We show baseline metrics on calibrated science images to evaluate the robustness of the calibration and instrument signature removal (ISR) data processing pipelines for DP2. Finally, we summarize the known limitations observed in DP2 production and outline expected algorithmic improvements for the first public LSST data release (Data Release~1, DR1).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Expanded verification and validation studies of hypersonic aerodynamics with multiple physics-fidelity models

Hypersonic aerothermodynamics is an important domain of modern multiphysics simulation. The Multi-Fidelity Toolkit is a simulation tool being developed at Sandia National Laboratories to predict aerodynamic properties for compressible flows from a range of physics fidelities and computational speeds. These models include the Reynolds-averaged Navier–Stokes (RANS) equations, the Euler equations with momentum-energy integral technique (MEIT), and modified Newtonian aerodynamics with flat-plate boundary layer (MNA+FPBL) equations, and they can be invoked independently or coupled with hierarchical Kriging to interpolate between high-fidelity simulations using lower-fidelity data. However, as with any new simulation capability, verification and validation are necessary to gather credibility evidence. This work describes formal code- and solution-verification activities, as well as model validation with uncertainty considerations. Code verification activities on the MNA+FPBL model build on previous work by focusing on the viscous portion of the model. Viscous quantities of interest are compared against those from an analytical solution for flat-plate, inclined-plate, and cone geometries. The code verification methodology for the MEIT model is also presented. Test setup and results of code verification tests on the laminar and turbulent models within MEIT are shown. Solution-verification activities include grid-refinement studies on simulations that model the HIFiRE-1 wind tunnel experiments. These experiments are used for validation of all model fidelities. A thorough validation comparison with prediction error and uncertainty is also presented. Three additional HIFiRE-1 experimental runs are simulated in this study, and the solution verification and validation work examines the effects of the associated parameter changes on model performance. Finally, a study is presented that compares the computational costs and fidelities from each of the different models.

42 ENGINEERING↗
DOE OSTI2021

Verification and validation of developed short-term forecasting models

Recent advancements in machine learning (ML) and artificial intelligence (AI) technologies provide an opportunity for leveraging data-driven algorithms to predict future nuclear power plant (NPP) operating conditions by using recorded plant process data. Successfully implementing these models can lead to cost-reducing, conditioned-based predictive maintenance through optimized maintenance schedules and a reduction of unnecessary maintenance activities. This report discusses the verification and validation of short-term forecasting processes (i.e., data cleaning, feature selection, model optimization, and forecasting) developed in previous reports. The verification and validation (V&V) process demonstrates the expected precision and accuracy when the ML model encounters new datasets from different systems. Shapley additive explanations were used as the primary means of feature selection across these different data set. Individual models were trained for each data set, then validated through a cross-validation procedure. In this report, two different ML models were tasked to predict variables from three different plant process data sets with varying prediction horizons. The results indicate that support vector regression (SVR) outperformed long short-term memory (LSTM) neural networks in regard to each data set and each prediction horizon in this study, but further tuning and optimization could improve long short-term memory results. However, each forecasting model showed reduced performance as the prediction horizon was extended from 1 hour to 1 day ahead. Research is ongoing to evaluate the optimal input variable space, which is based on a given set of process parameters, to further improve forecasting accuracy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

H2@Scale Program Multi-Party Cooperative Research and Development Agreement: California Hydrogen Infrastructure Research Consortium Task (Cooperative Research and Development Final Report, CRADA Number CRD-18-00754)

Many stakeholders are working on hydrogen and fuel cell products, markets, requirements, mandates, and policies. California has been leading the way for hydrogen infrastructure and fuel cell electric vehicle (FCEV) deployment. This leadership has advanced a hydrogen network that is not duplicated anywhere in the United States and is unique in the world for its focus on providing a retail fueling experience. In addition, the advancements have identified many lessons learned for hydrogen infrastructure development, deployment, and operation. Other interested states and countries are using California's experience as a model case, making success in California paramount to enabling market acceleration and uptake in the United States. The technical research capability of the national laboratories can be used to assist California in decisions and evaluations, as well as to verify solutions to problems impacting the industry. Because these challenges cannot be addressed by one agency or one laboratory, a hydrogen research consortium has been organized to combine and collaborate. The collaboration aims to ensure that data are available to evaluate projects and inform decision makers, independently verify and validate component solutions, provide experimental results for future hydrogen infrastructure, increase the availability of technical experts for quick-need issues for California hydrogen infrastructure development, deployment, operation, and technology advances. The proposed tasks include data collection from operational stations, component failure fix verification (i.e. nozzle freeze lock), new fueling methods for medium and heavy duty applications, and ensuring hydrogen quality is maintained. U.S. leadership for hydrogen technologies is rooted in California, a location for implementing many H2@Scale pathways such as reducing curtailment and stranded resources, reducing petroleum use and emissions, and developing and creating jobs.

08 HYDROGEN↗
DOE OSTI2021

Robust verification of stochastic simulation codes

We introduce a robust verification tool for computational codes, which we call Stochastic Robust Extrapolation based Error Quantification (StREEQ). Unlike the prevalent Grid Convergence Index (GCI) [1] method, our approach is suitable for both stochastic and deterministic computational codes and is generalizable to any number of discretization variables. Building on ideas introduced in the Robust Verification [2] approach, we estimate the converged solution and orders of convergence with uncertainty using multiple fits of a discretization error model. In contrast to Robust Verification, we perform these fits to many bootstrap samples yielding a larger set of predictions with smoother statistics. Here, bootstrap resampling is performed on the lack-of-fit errors for deterministic code responses, and directly on the noisy data set for stochastic responses. This approach lends a degree of robustness to the overall results, capable of yielding precise verification results for sufficiently resolved data sets, and appropriately expanding the uncertainty when the data set does not support a precise result. For stochastic responses, a credibility assessment is also performed to give the analyst an indication of the trustworthiness of the results. Furthermore, this approach is suitable for both code and solution verification, and is particularly useful for solution verification of high-consequence simulations..

97 MATHEMATICS AND COMPUTING↗