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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 1,207 records · Page 67

Improved Time-Stepping Methods in Global to Regional Ocean Modeling (Annual Status Report 2020)

Time stepping algorithms are an important part of ocean models, and strongly influence both the accuracy of solution and performance. There have been a number of projects investigating various improvements for ocean time-stepping schemes in the Model for Prediction Across Scales-Ocean (MPAS-Ocean), a component of the DOE Energy Exascale Earth System Model. Ocean dynamics include fast surface gravity waves, which are two-dimensional, and slower internal waves, which are three-dimensional, so ocean models use a split time-stepping scheme that separates these barotropic and baroclinic modes for efficiency. MPAS-Ocean runs on variable-resolution horizontal meshes, and must scale to tens of thousands of cores and millions of horizontal gridcells. Ocean models require time stepping algorithms that are customized to these needs, and which are tuned for performance on various resolutions and architectures.

58 GEOSCIENCES↗

Improved Time-Stepping Methods in Global to Regional Ocean Modeling (Annual Status Report)

Time stepping algorithms are an important part of ocean models, and strongly influence both the accuracy of solution and performance. There have been a number of projects investigating various improvements for ocean time-stepping schemes in the Model for Prediction Across Scales-Ocean (MPAS-Ocean), a component of the DOE Energy Exascale Earth System Model. Ocean dynamics include fast surface gravity waves, which are two-dimensional, and slower internal waves, which are three-dimensional, so ocean models use a split time-stepping scheme that separates these barotropic and baroclinic modes for efficiency. MPAS-Ocean runs on variable-resolution horizontal meshes, and must scale to tens of thousands of cores and millions of horizontal gridcells. Ocean models require time stepping algorithms that are customized to these needs, and which are tuned for performance on various resolutions and architectures.

58 GEOSCIENCES↗

Feedback-Based Fault-Tolerant and Health-Adaptive Optimal Charging of Batteries

The key technology barriers that hinder the growth of Electric Vehicles (EVs) are long charging time, the shorter life-time of EV batteries, and battery safety. Specifically, EV charging protocols have significant effects on battery lifetime and safety. If not charged properly, the battery could end up with shorter life, and more importantly, improper charging can cause battery faults leading to catastrophic failures. To overcome these barriers, we propose a closed-loop feedback based approach, that enables real-time optimal fast charging protocol adaptation to battery health and possess active diagnostic capabilities in the sense that, during charging, it detects real-time faults and takes corrective action to mitigate such fault effects. We utilize battery electrical-thermal model, explicit battery capacity and power fade aging models, and thermal fault model to capture battery behavior. In conjunction with the models, we adopt linear quadratic optimal control techniques to realize the feedback-based control algorithm. Simulation studies are presented to illustrate the effectiveness of the proposed scheme.

batteries↗

PSpecteR: A User-Friendly and Interactive Application for Visualizing Top-Down and Bottom-Up Proteomics Data in R

Visual examination of mass spectrometry data is necessary to assess data quality and to facilitate data exploration. Graphics provide the means to evaluate spectral properties, test alternative peptide/protein sequence matches, prepare annotated spectra for publication, and fine-tune parameters during wet lab procedures. Visual inspection of MS data is hindered by proprietary proteomics visualization software designed for particular workflows and academic software that lack visualization tools. We built PSpecteR, an open-source and interactive R Shiny web application to address these issues, with support for several steps of proteomics data processing, including: reading various mass spectrometry files, running open-source database search tools, labelling spectra with fragmentation patterns, testing post-translational modifications, plotting where identified fragments map to reference sequences, and visualizing algorithmic output and metadata. All figures, tables, and spectra are exportable within one easy-to-use graphical user interface. Our current software provides a flexible and modern R framework to support fast implementation of additional features. The open source code is readily available (https://github.com/EMSL-Computing/PSpecteR), and a PSpecteR Docker container (https://hub.docker.com/r/emslcomputing) is available for easy local installation.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Report on PTT Imaging of Defects in AM Metallic Materials-Part 2

Metal Additive Manufacturing (AM) is a promising method for cost-efficient fabrication of complex shape structures for applications in harsh environment, such as in a nuclear reactor. However, internal defects (pores) occur in high-strength AM alloys, which are manufactured with Laser Powder Bed Fusion (LPBF) AM method. Pulsed Infrared Thermography (PIT) is an efficient nondestructive evaluation (NDE) method to examine actual structures, because this method offers one-sided non-contact measurements, and fast processing of large sample areas. However, imaging of material defects, particularly defects with sizes at microscopic level, is challenging. In this report, we benchmark the performance of several Unsupervised Learning (UL) algorithms designed to enhance imaging of microscopic defects in metals with PIT. UL aims to learn the latent principal patterns (dictionaries) in PIT data to detect defects with minimal human supervision. Performance of Independent Component Analysis (ICA), Sparse Coding (SC), Principal Component Analysis (PCA) and Exploratory Factor Analysis (EFA) was compared using F-score, UL model training time and defects reconstruction time. We obtained the average F-score of 0.75, and a highest F-score of 0.89 for the EFA algorithm. Overall, EFA outperforms other UL algorithms considered in this study.

36 MATERIALS SCIENCE↗

Pulsed Thermal Tomography Nondestructive Examination of Additively Manufactured Reactor Materials and Components (Final Technical Report)

Metal Additive Manufacturing (AM) is a promising method for cost-efficient fabrication of complex shape structures for applications in harsh environment, such as in a nuclear reactor. However, internal defects (pores) occur in high-strength AM alloys, which are manufactured with Laser Powder Bed Fusion (LPBF) AM method. Pulsed Infrared Thermography (PIT) is an efficient nondestructive evaluation (NDE) method to examine actual structures, because this method offers one-sided non-contact measurements, and fast processing of large sample areas. However, imaging of material defects, particularly defects with sizes at microscopic level, is challenging. In this report, we benchmark the performance of several Unsupervised Learning (UL) algorithms designed to enhance imaging of microscopic defects in metals with PIT. UL aims to learn the latent principal patterns (dictionaries) in PIT data to detect defects with minimal human supervision. Performance of Independent Component Analysis (ICA), Sparse Coding (SC), Principal Component Analysis (PCA) and Exploratory Factor Analysis (EFA) was compared using F-score, UL model training time and defects reconstruction time. We obtained the average F-score of 0.75, and a highest F-score of 0.89 for the EFA algorithm. Overall, EFA outperforms other UL algorithms considered in this study. In another approach, we investigate Thermal Tomography (TT), which is a computational method for reconstruction of depth profile of internal material defects from PIT nondestructive evaluation (NDE). TT algorithm obtains depth reconstructions of thermal effusivity, which has been shown to provide visualization of subsurface internals defects in metals. In many applications, one needs to determine the defect shape and orientation from reconstructed effusivity images. Interpretation of TT images is non-trivial because of blurring, which increases with depth due to heat diffusion-based nature of image formation. We have developed a deep learning convolutional neural network (CNN) to classify size and orientation of subsurface material defects in TT images. CNN was trained with TT images produced with computer simulations of 2D metallic structures (thin plates) containing elliptical subsurface voids. Performance of CNN was investigated using test TT images developed with computer simulations of plates containing elliptical defects, and defects with shape imported from scanning electron microscopy (SEM) images. CNN demonstrated the ability to classify radii and angular orientation of elliptical defects in previously unseen test TT images. We have also demonstrated that CNN trained on TT images of elliptical defects is capable of classifying shape and orientation of irregular defects. Training the CNN on irregular defect shapes instead of on elliptical shapes would make the resulting classifications more descriptive of actual defect shapes. However, this requires a much higher volume of SEM images of material defects, which are difficult to obtain because of random occurrence of defects in LPBF. To address this challenge, we developed a generative adversarial network (GAN) to augment the existing dataset of SEM defect images. The GAN model is demonstrated to create novel yet realistic defect shapes that can be used as input for simulated PTT images to train CNN. We also investigate several approaches based on Gaussian Random Circle and Bezier Curves for constructing parametric models of irregular-shape defects.

36 MATERIALS SCIENCE↗

Nonlinear problems of the theory of heterogeneous slightly curved shells

An account if given of the variational method of the solution of physically and geometrically nonlinear problems of the theory of heterogeneous slightly curved shells. Examined are the bending and supercritical behavior of plates and conical and spherical cupolas of variable thickness in a temperature field, taking into account the dependence of the elastic parameters on temperature. The bending, stability in general and load-bearing capacity of flexible isotropic elastic-plastic shells with different criteria of plasticity, taking into account compressibility and hardening. The effect of the plastic heterogeneity caused by heat treatment, surface work hardening and irradiation by fast neutron flux is investigated. Some problems of the dynamic behavior of flexible shells are solved. Calculations are performed in high approximations. Considerable attention is given to the construction of a machine algorithm and to the checking of the convergence of iterative processes.

Kantor, B. Y.↗

Exposure compensation for sequential superposition holographic display

A fast and computationally simple computer-aided holographic technique for producing low-information-content 3-D displays by sequential superimposition of point-object Fresnel holograms is described. An exposure control algorithm is used to ensure uniformity of exposure across the sequentially superimposed holograms. The result is a significant increase in the number of recordable object points. The algorithm has been used to produce displays containing up to 2800 individual point exposures.

Gaynor, Edwin S.↗

An implicit algorithm for the conservative, transonic full-potential equation with effective rotated differencing

A new differencing scheme for the conservative full potential equation which effectively simulates rotated differencing is presented. The scheme was implemented by an appropriate upwind bias of the density coefficient along coordinate directions. A fast, fully implicit, approximate factorization iteration scheme was then used to solve the resulting difference equations. Solutions for a number of traditionally difficult transonic airfoil test cases are presented.

Holst, T. L.↗

Fast gravity, gravity partials, normalized gravity, gravity gradient torque and magnetic field: Derivation, code and data

Derivation of first and second partials of the gravitational potential is given in both normalized and unnormalized form. Two different recursion formulas are considered. Derivation of a general gravity gradient torque algorithm which uses the second partial of the gravitational potential is given. Derivation of the geomagnetic field vector is given in a form that closely mimics the gravitational algorithm. Ada code for all algorithms that precomputes all possible data is given. Test cases comparing the new algorithms with previous data are given, as well as speed comparisons showing the relative efficiencies of the new algorithms.

Gottlieb, Robert G.↗

Fast Neutron Spectroscopy with Organic Scintillation Detectors in a High-Radiation Environment

Organic scintillators with pulse shape discrimination capability are widely used in both research and practical applications of neutron detection. The neutron and gamma-ray identification performance of the detector depends on the classification algorithms, noise filters and pileup rejection criteria in a high-flux bremsstrahlung radiation environment. In this paper, a technique has been developed and implemented for the neutron detection with multiple filter and discrimination steps, which to a high confidence level eliminates counting of gamma-ray pulses. Such a technique is merited when making measurements in a high flux bremsstrahlung and secondary fluorescence environment. The EJ-309 and stilbene detectors coupled to the digital data acquisition system were used for the calibration assessments with standard gamma-ray and neutron sources such as 137Cs, 60Co, 252Cf, and Am-Be. The MCNPX-PoliMi and GEANT4 toolkits were used to simulate the light output and the optical photon transport in the scintillators and create detector response functions for each type of detector. The neutron spectrum unfolding algorithm, GRAVELW, was used to recreate and calibrate with the Am-Be as final step before applying the neutron detection system to extract fusion neutron spectra generated in an intense bremsstrahlung radiation environment. This new technique described offers the user the ability to measure neutron spectra in a high-flux gamma-ray field and tune the parameters to meet required filtering needs.

Neutron Detector, Organic Scintillator, PulseShape↗

Machine Learning Augmented Predictive and Generative Model for Rupture Life in Ferritic and Austenitic Steels

The Larson-Miller parameter (LMP) offers an efficient and fast scheme to estimate the creep rupture life of alloy materials for high temperature applications. However, owing to poor generalizability and dependence on the constant C, which is typically not known a-priori, estimations using the Larson-Miller parameter often result in suboptimal performance for a wide range of materials. At best it is useful in comparing alloys of similar composition. In this work, three machine learning (ML) schemes were developed for rupture life prediction for 9-12% Cr ferritic-martensitic steels and austenitic stainless steels, i.e., a hierarchical model to parameterize LMP using the LMP constant C to compute rupture life, a hierarchical model to parameterize both C and LMP to compute rupture life, and a direct prediction of rupture life. Specifically, we show that the third scheme, using a gradient boosting algorithm, can be used to train ML models for very accurate prediction of rupture life in a variety of alloys (Pear-son Correlation Coefficient > 0.9 for 9-12% Cr and > 0.8 for austenitic stainless steels). In addition, the Shapley value was used to quantify feature importance, making the model interpretable by identifying the effect of various features on the model performance. Furthermore, a variational autoencoder-based generative model was built by conditioning on the experimental dataset to sample hypothetical synthetic candidate alloys from the learnt joint distribution not existing in both 9-12 % Cr ferritic-martensitic steel and austenitic stainless steel datasets. Finally, based on the predictive and generative model, a reinforcement learning strategy has been proposed to guide experimentalists into designing better heat resistant alloys.

Mamun, Md Osman G.↗

Systematic evaluation of fast neutron sensing with Cesium Hafnium Chloride

Cesium Hafnium Chloride (CHC) is a promising new scintillator for dual mode sensing of both neutrons and gamma-rays. The high chlorine content allows for both 35 Cl(n,p) 35 S and 35 Cl(n,α) 32 P reaction channels leading to reliable detection of fast neutrons. By utilizing pulse shape discrimination (PSD), these neutron interactions may be reliably separated from gamma-ray signals with a high figure-of-merit (FOM) after optimization of the PSD algorithm. Here, in this study, the PSD algorithm settings for CHC were systematically investigated using a bare 252 Cf and a lead shielded plutonium beryllium neutron source. It was found that the PSD algorithm settings affects both the FOM and the neutron detection efficiency, but a FOM as high as 4.5 for alpha particles was observed in one data processing scenario. Further, an intrinsic 5 parts per million alpha emitting contamination was observed in the sample, which we attribute to natural uranium.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Ameliorating the Courant-Friedrichs-Lewy condition in spherical coordinates: A double FFT filter method for general relativistic MHD in dynamical spacetimes

Numerical simulations of merging compact objects and their remnants form the theoretical foundation for gravitational wave and multimessenger astronomy. While Cartesian-coordinate-based adaptive mesh refinement is commonly used for simulations, spherical-like coordinates are more suitable for nearly spherical remnants and azimuthal flows due to lower numerical dissipation in the evolution of fluid angular momentum, as well as requiring fewer numbers of computational cells. However, the use of spherical coordinates to numerically solve hyperbolic partial differential equations can result in severe Courant-Friedrichs-Lewy (CFL) stability condition time step limitations, which can make simulations prohibitively expensive. This paper addresses this issue for the numerical solution of coupled spacetime and general relativistic magnetohydrodynamics evolutions by introducing a double fast Fourier transform (FFT) filter and implementing it within the fully message passing interface (mpi)-parallelized sphericalnr framework in the einstein toolkit. In conclusion, we demonstrate the effectiveness and robustness of the filtering algorithm by applying it to a number of challenging code tests, and show that it passes these tests effectively, demonstrating convergence while also increasing the time step significantly compared to unfiltered simulations.

79 ASTRONOMY AND ASTROPHYSICS↗

Multi-Resolution UAV Path Replanning for Inspection of Tailings Dams

Autonomous inspection of large and complex structures with a commercial unmanned aerial vehicle (UAV) is a challenging problem that has been addressed in recent years. In this paper, we address the global motion planning problem of creating autonomous inspection missions for UAVs considering photogrammetry constraints. We focus on the inspection of large tailings dams, which are dam structures used to store waste byproducts of mining. Our method uses a prior sparse point cloud of the dam to generate a voxel grid, where paths satisfying photogrammetry constraints are tested for collisions. We then apply the A* algorithm as a local planner to avoid obstacles within the global mission. Moreover, we address the problem of changing routes online by using octree-based multi-resolution grids for efficient and fast pathfinding. Our results, obtained using tridimensional maps of an actual coal mine tailings dam, show that using octrees for multi-resolution motion planning is faster than using a fixed voxel grid in online missions while inspecting large structures.

42 ENGINEERING↗

High-Fidelity Analysis of EV Integration on Real Utility Feeders in Colorado

Residential electric vehicle (EV) charging has the potential to alter long-held assumptions on load characteristics impacting distribution grid planning, operations, and design standards. This study identifies analysis and control methods to increase the affordability of residential EV charging both for Xcel Energy and their customers. The project also provides solutions for more reliable grid interconnection that can support a reliable utility business model prepared for increasing EV charging load in the coming years. For this project, we referenced Level 2 alternating current (AC) onboard charging profiles for various vehicle models and high-fidelity charging data collected at the experimental setup established at the EV Research Infrastructure Laboratory at the National Renewable Energy Laboratory (NREL). Next, we developed EV adoption models for 2030 and 2040 for the Boulder and Aurora regions in Colorado. Moreover, we evaluated different smart charging control algorithms and compared their performance. We developed time-of-use (TOU)-based and grid-aware active EV charging control methods and integrated them within the study region to understand field impacts. Diving deeper, we selected 10 feeders in Boulder and Aurora for high-fidelity grid modeling down to the house level. We executed detailed grid analysis comparing the smart charge management (SCM) algorithms we developed. Finally, we created a novel tool, Electric Vehicle Infrastructure--Distribution System Integration Tool (EVI-DiST), to integrate all the approaches in a single software environment to provide easy integration, fast simulation, and detailed evaluation capability for utility engineers and other stakeholders.

33 ADVANCED PROPULSION SYSTEMS↗

High-Voltage DC MULTI-terminal SIMulation (HVDC MULTISIM): Technical Program Summary

Expansion of the power grid in the USA is essential to fulfilling the rising energy demand of the country. In particular, the transmission grid, a network of electrical energy corridors that enable the flow of large amounts of energy from the point of generation to the point of consumption, needs significant expansion to cater to this growth of electrification. The current infrastructure is also dated, and any new transmission corridor should be based on a vision of building a modern infrastructure that is futureproof. High voltage DC (HVDC) transmission technology falls in this category: it is the most economical way to build large transmission lines and relies on sophisticated electronics and flexible controls, rather than just passive components like switchgear and transformers. This project is aimed at establishing the technical and economic feasibility of a network of HVDC lines that are interconnected to form a multi-terminal DC network. HVDC transmission is not a new technology and United States has a number of such lines; however, these are point to point transmissions and do not form a DC grid. Modeling and analyzing DC grids is challenging since there are no established modeling tools and the traditional ways of modeling AC grids fall short of providing the fidelity required the fast dynamics of the DC grid. This project aims to build a software-in-the-loop simulator for a multi-terminal HVDC grid, called MULTISIM and, establish new control and protection algorithms to operate such a connected DC system. NLR, a key partner, established the core framework of the MULTISIM simulator and validated its functionality. The GE Vernova team, created a full-scale model of a four-terminal HVDC network using PSCAD (Power Systems Computer Aided Design) software and established the baseline performance of the system during normal and fault operation. The project was started on 10/12024 with a kick-off meeting held on 12/11/2024 and ran through two quarters till termination. All the tasks, milestones and deliverables during this period were met. Several interim reports detailing the various tasks were submitted. The following sections provide details on the completed tasks till the project pause and termination after Q2.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Numerical study of supersonic combustion using a finite rate chemistry model

The governing equations of two-dimensional chemically reacting flows are presented together with a global two-step chemistry model for H2-air combustion. The explicit unsplit MacCormack finite difference algorithm is used to advance the discrete system of the governing equations in time until convergence is attained. The source terms in the species equations are evaluated implicitly to alleviate stiffness associated with fast reactions. With implicit source terms, the species equations give rise to a block-diagonal system which can be solved very efficiently on vector-processing computers. A supersonic reacting flow in an inlet-combustor configuration is calculated for the case where H2 is injected into the flow from the side walls and the strut. Results of the calculation are compared against the results obtained by using a complete reaction model.

Chitsomboon, T.↗