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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Offshore Wind Energy Validation Experiment Hierarchy

This paper provides a summary of planning work for experiments that will be necessary to address the long-term model validation needs required to meet offshore wind energy deployment goals. Conceptual experiments are identified and laid out in a validation hierarchy for both wind turbine and wind plant applications. Instrumentation needs that will be required for the offshore validation experiments to be impactful are then listed. The document concludes with a nominal vision for how these experiments can be accomplished.

17 WIND ENERGY↗
DOE OSTI2022

Evaluating Class 6 Delivery Truck Fuel Economy and Emissions Using Vehicle System Simulations for Conventional and Hybrid Powertrains and Co-Optima Fuel Blends

The US Department of Energy’s Co-Optimization of Engine and Fuels Initiative (Co-Optima) investigated how unique properties of bio-blendstocks considered within Co-Optima help address emissions challenges with mixing controlled compression ignition (i.e., conventional diesel combustion) and enable advanced compression ignition modes suitable for implementation in a diesel engine. Additionally, the potential synergies of these Co-Optima technologies in hybrid vehicle applications in the medium- and heavy-duty sector was also investigated. In this work, vehicles system were simulated using the Autonomie software tool for quantifying the benefits of Co-Optima engine technologies for medium-duty trucks. A Class 6 delivery truck with a 6.7 L diesel engine was used for simulations over representative real-world and certification drive cycles with four different powertrains to investigate fuel economy, criteria emissions, and performance. Comparisons were made between ultralow-sulfur diesel and a blend of 25% hexyl hexanoate with diesel. Model validation data were informed by 2019 model year Cummins ISB 6.7 L diesel engine maps and transient validation data in a pre-production hybrid configuration and a direct dyno coupled configuration with diesel fuel and a blend of 25% hexyl hexanoate with diesel.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Multimodel validation of single wakes in neutral and stratified atmospheric conditions

Previous research has revealed the need for a validation study that considers several wake quantities and code types so that decisions on the trade-off between accuracy and computational cost can be well informed and appropriate to the intended application. In addition to guiding code choice and setup, rigorous model validation exercises are needed to identify weaknesses and strengths of specific models and guide future improvements. Here, we consider 13 approaches to simulating wakes observed with a nacelle-mounted lidar at the Scaled Wind Technology Facility (SWiFT) under varying atmospheric conditions. We find that some of the main challenges in wind turbine wake modeling are related to simulating the inflow. In the neutral benchmark, model performance tracked as expected with model fidelity, with large-eddy simulations performing the best. In the more challenging stable case, steady-state Reynolds-averaged Navier–Stokes simulations were found to outperform other model alternatives because they provide the ability to more easily prescribe noncanonical inflows and their low cost allows for simulations to be repeated as needed. Dynamic measurements were only available for the unstable benchmark at a single downstream distance. These dynamic analyses revealed that differences in the performance of time-stepping models come largely from differences in wake meandering. This highlights the need for more validation exercises that take into account wake dynamics and are able to identify where these differences come from: mesh setup, inflow, turbulence models, or wake-meandering parameterizations. In addition to model validation findings, we summarize lessons learned and provide recommendations for future benchmark exercises.

17 WIND ENERGY↗
DOE OSTI2024

Wave-powered water pump for upwelling in aquaculture: Numerical model and ocean test

Wave-powered upwelling can increase the productivity and survivability of several aquaculture species. This enhancement is due to transporting cold, nutrient-rich ocean water, typically found lower in the water column, to the surface. Macroalgaes, like kelp, exhibit increased growth from these altered conditions. The University of New Hampshire’s (UNH) wave-powered water pump (wave pump) is a point absorber wave energy converter (WEC) that uses ocean waves to create relative motion between a spar buoy and a concentric float which drives an internal pump. A numerical model of the wave pump was developed using WEC-Sim to predict device performance in the ocean. Wave pump performance was evaluated during a five day ocean test near Appledore Island in Maine in March 2023, where volumetric flow rate, relative distance between spar and float, and wave conditions were measured. These data were then used for numerical model validation. The ocean deployment recorded the device’s performance in a variety of sea states, with average significant wave heights up to 0.7 m. The ocean test data were compared to the WEC-Sim numerical model of the device with favorable results. Average values of device stroke period, stroke height, and flow rate agreed between the ocean test and model data to within approximately 16 to 22%. Furthermore, the validated numerical model provides a valuable tool for improving the design and developing a commercial-scale, wave-powered water pump for use in aquaculture.

16 TIDAL AND WAVE POWER↗
DOE OSTI2020

An improved detailed chemical kinetic model for C3-C4 linear and iso-alcohols and their blends with gasoline at engine-relevant conditions

Propanol and butanol isomers have received significant research attention as promising fuel additives or neat biofuels. Robust chemical kinetic models are needed that can provide accurate and efficient predictions of combustion performance across a wide range of engine relevant conditions. Herein, this study seeks to improve the understanding of ignition and combustion behavior of pure C3-C4 linear and iso-alcohols, and their blends with gasoline at engine-relevant conditions. In this work, a kinetic model with improved thermochemistry and reaction kinetics was developed based on recent theoretical calculations of H-atom abstraction and peroxy radical reaction rates. Kinetic model validations are reported, and the current model reproduces the ignition delay times of the C3 and C4 alcohols well. Variations in reactivity over a wide range of temperatures and other operating conditions are also well predicted by the current model. Recent ignition delay time measurements from a rapid compression machine of neat iso-propanol and iso-butanol [Cheng et al., Proc. Combust Inst. (2020)] and blends with a research grade gasoline [Goldsborough et al., Proc. Combust Inst. (2020)] at elevated pressure (20–40 bar) and intermediate temperatures (780–950 K) were used to demonstrate the accuracy of the current kinetic model at conditions relevant to boosted spark-ignition engines. The effects of alcohol blending with gasoline on the autoignition behavior are discussed. The current model captures the suppression of reactivity in the low-temperature and negative-temperature-coefficient (NTC) region when either isopropanol and isobutanol are added to a research grade gasoline. Sensitivity and reaction flux analysis were performed to provide insights into the relevant fuel chemistry of the C3-C4 alcohols.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Robust Machine Learning Inference from X-ray Absorption Near Edge Spectra through Featurization

X-ray absorption spectroscopy (XAS) is a commonly employed technique for characterizing functional materials. In particular, X-ray absorption near edge spectra (XANES) encode local coordination and electronic information, and machine learning approaches to extract this information are of significant interest. To date, most ML approaches for XANES have primarily focused on using the raw spectral intensities as input, overlooking the potential benefits of incorporating spectral transformations and dimensionality reduction techniques into ML predictions. Here, in this work, we focused on systematically comparing the impact of different featurization methods on the performance of ML models for XAS analysis. We evaluated the classification and regression capabilities of these models on computed data sets and validated their performance on previously unseen experimental data sets. Our analysis revealed an intriguing discovery: the cumulative distribution function feature achieves both high prediction accuracy and exceptional transferability. This remarkably robust performance can be attributed to its tolerance to horizontal shifts in the spectra, which is crucial when validating models using experimental data. While this work exclusively focuses on XANES analysis, we anticipate that the methodology presented here will hold promise as a versatile asset to the broader spectroscopy community.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Modeling and experimental validation of dynamical effects in Bragg coherent x-ray diffractive imaging of finite crystals

Bragg coherent diffractive imaging (BCDI) is a noninvasive microscopy technique that can visualize the shape and internal lattice deviations of crystals with nanoscale spatial resolution and picometer deformation sensitivity. Its strain imaging capability relies on Fourier transform–based iterative phase retrieval algorithms, which are mostly developed under the kinematical approximation. Such approximation prohibits the application of BCDI on larger crystals, which are commonly seen in most emerging functional materials. Understanding the dynamical effect in BCDI, as well as developing a validated method for modeling BCDI at the dynamical diffraction limit, is crucial for applying BCDI to hierarchical systems that contain micron-sized crystals and grains. Thus we report a comparative study on the impact of dynamical diffraction effects by comparing the reconstruction results from two measurements of the same crystal. Forward simulation is implemented to show subtle changes of interference fringes in the diffraction pattern due to the dynamical diffraction, and is compared directly with the experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Six Machine-Learning Methods for Predicting Hospital-Stay Duration for Patients with Sepsis: A Comparative Study

Sepsis is a life-threatening medical condition that, if not treated promptly, can result in tissue damage, organ failure, and death. According to the Centers for Disease Control, about 270,000 individuals die of sepsis in the US each year. Further, sepsis expenditures accounted for 13% of total US hospital costs in 2013, totaling more than $24 billion. Our project objectives were to determine if Machine Learning algorithms could reliably predict hospital stay duration for patients with sepsis. The data set we used has been de-identified and is freely available through the BupaR package. The data includes 1050 cases, 15214 events, and 16 types of actions related to sepsis patient care. First, we used process mining to determine how long each patient was in the hospital. Using BupaR’s functions, we created several process model graphs. These process models depict the movement of patients at a hospital and provide duration data for each patent case. Second, we identified outlier data and created two dataset versions: one with and one without outliers. We then applied the following analysis methods: Linear Regression, Random Forest, K-Nearest Neighbors, Neural Networks, XGBoost, and lightGBM. We compared the model validations for the six machine learning models using the same data-splitting method. We found that the XGBoost model had the best prediction accuracy of 73.9 percent for cases with outliers, and 79 percent for cases without outliers. We also found that the lightGBM model had the lowest mean absolute error between prediction and actual duration in days with 3.66 days for the case with outliers, and 2.4 days for the case without outliers. These two models outperformed the other four models. This work will be enhanced in the future by exploring new prediction algorithms and comparing them with the results of this study.

Chen, Lingtao↗
DOE OSTI2021

TRANSIENT THERMAL MODELING OF THE HIGH BURNUP DEMONSTRATION RESEARCH PROJECT CASK USING STAR-CCM+ AND COBRA-SFS

The Department of Energy in collaboration with the Electric Power Research Institute is in the process of conducting the High Burnup Demonstration Project. Where the objective is to characterize the performance of high-burnup fuel in long term storage. As part of this demonstration, a TN-32B dry storage cask was instrumented and loaded with spent nuclear fuel at North Anna Nuclear Generating Station in November 2017. The project cask provides a unique opportunity to gain information on spent fuel and cask performance from an in-service operational system. The cask was instrumented with thermocouples inside of the fuel assemblies, then loaded and dried using normal procedures. After the drying process a thermal soak period where the cask was left indoors was used to obtain steady temperatures for model comparison along with surface temperatures. This paper details thermal modeling validation work that was done to model both the steady state and transient cases. Two modeling tools were used to predict temperatures in the cask. The general purpose CFD and heat transfer code STAR-CCM+ was used with both a detailed pin-by-pin model was used along with a more efficient k-effective simplification. The other code is COBRA-SFS, a purpose-built detailed thermal modeling tool developed and maintained at PNNL. Results from all the modeling tools were compared blind to the test data. Each model utilized general design information and compared reasonably well to the blind steady state data using convection and surface temperature boundary conditions. Post-test adjustments were later made to better reflect the “as built” conditions of the cask. Based on lessons learned from the steady state analysis the vacuum drying process was modeled in both codes. Utilizing the measured loading conditions the transient models were able to compare very well with the measured data. Overall the project showed an ability to model spent fuel storage conditions very well and future work is planned to generalize the methodology used for vacuum drying.

Thermal Analysis, Spent Fuel, Dry Storage↗
DOE OSTI2020

SAM Plug-in Development (Phase I Final Report)

The DOE Office of Nuclear Energy (NE) has created an extensive set of advanced modeling and simulation tools for nuclear engineering analysis. The advanced capabilities of these newer analysis codes require more in-depth training, skills, and knowledge in order to effectively utilize them for the design, analysis, and licensing of advanced nuclear systems and experiments. A high learning curve for inexperienced users may deter organizations from incorporating these tools into their internal processes. This project involved development of a plug-in to the Symbolic Nuclear Analysis Package (SNAP) for the System Analysis Module (SAM) tool. SAM is an advanced system analysis tool for reactor transient analyses being developed at Argonne National Laboratory under the U.S. DOE Office of Nuclear Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. SAM utilizes an object-oriented application framework (MOOSE), and its underlying meshing and finite-element library (libMesh) and linear and non-linear solvers (PETSc), to leverage modern advanced software environments and numerical methods. SNAP provides a highly flexible framework for creating, modifying and documenting input for engineering analysis codes such as SAM as well as extensive functionality for submitting, monitoring, and interacting with the codes through an intuitive graphical user interface (GUI). The common user interface provided by SNAP minimizes the learning curve for engineers starting with a new analysis code and provides an intuitive framework for transitioning between different analysis codes. SNAP provides a powerful but intuitive interface to facilitate access to advanced modeling and simulation tools for inexperienced users. Unlike many “form based” GUI’s, SNAP maps each engineering code’s component input to an internal database which manages all component input parameters along with component interconnections. This level of abstraction permits SNAP to support several advanced capabilities such as renodalization, model validation and consistency checks, embedded documentation, model notebook generation, data ownership and reviewer tracking, and variable assignment for inputs to name a few. SNAP includes a built-in Python interpreter and is interfaced to several commercial and open source packages including CPython, MATLAB/OCTAVE, Microsoft Office, Open Office, and SANDIA’s DAKOTA package which provides Uncertainty Quantification analysis through the SNAP plug-ins. Phase I of this project involved development a fully functional basic SAM plug-in to SNAP. This plug-in provides the ability to import existing models, graphically construct, edit and submit models using SNAP’s extensive functionality.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Two-Fluid and Discrete Element Modeling of a Parallel Plate Fluidized Bed Heat Exchanger for Concentrating Solar Power

A novel high-temperature particle solar receiver is developed using a light trapping planar cavity configuration. As particles fall through the cavity, the concentrated solar radiation warms the boundaries of the receiver and in turn heats the particles. Particles flow through the system, forming a fluidized bed at the lower section, leaving the system from the bottom at a constant flowrate. Air is introduced to the system as the fluidizing medium to improve particle heat transfer and mixing. A laboratory scale cavity receiver is built by collaborators at the Colorado School of Mines and their data are used for model validation. In this experimental setup, near IR quartz lamp is used to provide flux to the vertical wall of the heat exchanger. The system is modeled using the discrete element method and a continuum two-fluid method. The computational model matches the experimental system size and the particle size distribution is assumed monodisperse. A new continuum conduction model that accounts for the effects of solid concentration is implemented, and the heat flux boundary condition matches the experimental setup. Radiative heat transfer is estimated using a widely used correlation during the post-processing step to determine an overall heat transfer coefficient. The model is validated against testing data and achieves less than 30% discrepancy and a heat transfer coefficient greater than 1000 W/m2 K.

concentrating solar power↗
DOE OSTI2020

Validation of Reanalysis-Based Offshore Wind Resource Characterization Using Lidar Buoy Observations

The offshore wind industry in the U.S. is gaining strong momentum to achieve sustainable energy goals, and the need for observations to provide resource characterization and model validation is greater than ever. Pacific Northwest National Laboratory (PNNL) operates two lidar buoys for the U.S. Department of Energy (DOE) in order to collect hub height wind data and associated meteorological and oceanographic information near the surface in areas of interest for offshore wind development. This work evaluates the performance of commonly used reanalysis products and spatial approximation techniques using lidar buoy observations off the coast of New Jersey and Virginia, USA. Reanalysis products are essential tools in order to set performance expectations and quantify the wind resource variability at a given site. Long-term accurate observations at typical wind turbine hub-heights have been lacking at offshore locations. Using wind speed observations from both lidar buoy deployments, biases and degrees of correspondence for the Modern Era Retrospective Analysis for Research and Applications-2 (MERRA-2), the North American Regional Reanalysis (NARR), and the analysis system of the Rapid Refresh (RAP) are examined both at hub height and near surface. Results provide insights on the performance and uncertainty of using reanalysis products for long-term wind resource characterization.

lidar buoy, model validation, offshore wind energy↗
DOE OSTI2019

Cookoff experiments of a melt cast explosive (Comp-B3)

Validated models of melt cast explosives exposed to accidental fires are essential for safety analysis. In the current work, we provide several experiments that can be used to develop and validate cookoff models of melt cast explosives such as Comp-B3 composed of 60:40 wt% RDX:TNT. We present several vented and sealed experiments from 2.5 mg to 4.2 kg of Comp-B3 in several configurations. We measured pressure, spatial temperature, and ignition time. Some experiments included borescope images obtained during both vented and sealed decomposition. We observed the TNT melt, the suspension of RDX particles in the melt, bubble formation caused by RDX decomposition, and bubble-induced mixing of the suspension. The RDX suspension did not completely dissolve, even as temperatures approached ignition. Our results contrast with published measurements of RDX solubility in hot TNT that suggest RDX would be completely dissolved at these high temperatures. These different observations are attributed to sample purity. We did not observe significant movement of the two-phase mixture until decomposition gases formed bubbles. Bubble generation was inhibited in our sealed experiments and suppressed mixing.

42 ENGINEERING↗
DOE OSTI2021

Simulation studies of the interaction of laser radiation with additively manufactured foams

The interaction of laser radiation with foams of various porosities and low densities has been the subject of several numerical and experimental studies. In all cases, the modeling of low-Z under-dense foams as uniform gases of equivalent average density using standard radiation-hydrodynamics codes has resulted in heat-front velocities that are considerably faster than those observed experimentally. It has been theoretically conjectured that this difference may be attributed to the breakdown of the foam’s morphology, leading to a dynamics of filament expansion where the ion and electron energy partitions are significantly different from those calculated using the uniform gas model. We found that 3D computer simulations employing a disconnected representation of the foam’s microstructure which allowed for the dynamics of foam element heating, expansion, and stagnation largely supported the theoretical picture. Simulations using this model for laser experiments on under-dense 2 mg cc -1 SiO 2 aerogel foams reproduced the experimental data fairly well. We used the validated model in simulations of low-density structured foam-like materials (produced via additive manufacturing) with a variety of morphologies. We found that the log-pile configurations were consistent with the analytical propagation model of Gus’kov et al. Further validation of the model was obtained by simulating experiments performed at the Jupiter Laser Facility using the log-pile and octet-truss foam morphologies. Simulations of the foam-laser interaction using a wave propagation code showed that the microstructure was able to enhance stimulated Brillouin scattering (SBS) by concentrating the light energy into density holes. In turn, this promotes laser filamentation, reducing SBS and bringing the predicted values closer to the experimental data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Foundational Open Source Solar System Modeling Through Improvement and Validation of the System Advisor Model and PVWatts (FY19-FY21 Final Technical Report)

Accelerating intelligent deployment of solar energy technologies demands accurate system modeling every step of the way. From project development to policy research, grid integration studies to development of novel technologies, industry and researchers alike need validated, transparent, easy-to-use, extensible, cutting-edge, and accurate models of both the performance and financing of solar systems. The System Advisor Model (SAM) and PVWatts tools provide a platform to fill that need. The overarching goal of this set of software tools is to enable accurate PV system modeling across the industry, and our usage metrics indicate that we continue to succeed in that endeavor, with a user starting SAM every 2 minutes globally, and over 17 million PVWatts hits per month. This project leveraged DOEs past investment in the SAM and PVWatts platforms to continue to provide valuable and extensible PV, battery, and financial modeling resources to the larger solar community. We pursued multiple avenues in parallel: software maintenance and technical support that are foundational to the continued usability of the SAM and PVWatts platforms; platform and PV model improvements and stakeholder engagement activities that are core to the continued relevance of the platforms; and open source activities to foster the continued creation of a vibrant open-source community around the SAM and PVWatts tools, which opens up exciting new opportunities for industry interaction.

14 SOLAR ENERGY↗
DOE OSTI2021

Experiments and CFD simulation of mass transfer and hydrodynamics in a cylindrical bubble column

Flow visualization, Particle Image Velocimetry (PIV) and dissolved oxygen charging experiments are carried out in a small-scale cylindrical air-water bubble column at different superficial gas velocities. Void fraction profile, total gas holdup, liquid phase velocity field and volumetric mass transfer coefficient are obtained. Details of each experiment are given, with a new procedure for obtaining a 2D void fraction profile from flow visualization by image processing and time averaging which could provide useful information for CFD model validation. The experimental results are analyzed and compared with simulations where good agreement is found for both local and global flow patterns. The averaged governing equations and constitutive relations used in the simulation are discussed briefly, with emphasis on the proper comparison between simulations and experiments based on the derivation of the two-fluid model. Finally, by conducting three sets of experiments related to phase distribution, velocity field and mass transfer in the same apparatus, a validated CFD model for multiphase mass transfer is established and can be used in the future design of a multi-phase reactor.

42 ENGINEERING↗
DOE OSTI2025

Analysis of soot formation from aviation fuels in laminar counterflow flames

Combustion emissions from aviation contribute to the formation of condensation trail (contrail) that can lead to the formation of anthropogenic cirrus clouds. Ice particles that form contrails are observed to have a linear correlation with soot particle number density. Synthetic aviation fuels (SAFs) offer a promising route to mitigate the production of soot particles while also increasing energy security. Although studies have focused on combustion and spray behavior, the detailed investigation of soot formation processes for different jet fuels and their impact on models for computational fluid dynamics (CFD) applications is not well understood. Moreover, experimental measurements of soot for canonical flames using Synthetic aviation fuels (SAF) for model validation remain scarce. To address this, we use employed the Lawrence Livermore National Laboratory (LLNL) detailed soot model based on the discrete sectional method. Additionally, we develop two reduced chemical mechanisms for Jet-A and Alcohol-to-Jet (C1) that are suitable for turbulent flame simulations and couple them with the Hybrid Method of Moments (HMOM). The detailed and reduced model frameworks are validated against experimental measurements of soot volume fraction (ƒ ν ) from a counterflow burner experiment previously reported in the literature. Given the good agreement between modeling results and experimental measurements for the (1) spatial distribution of ƒ ν and (2) the non-linear variation of peak ƒ ν with strain rate, we further investigate the modeled sub-processes (nucleation, condensation, surface growth, and oxidation) using the LLNL model to analyze the assumptions in the reduced model framework. Furthermore, the results indicate a significant contribution from resonant radicals to the surface growth of soot particles, which are not accounted for in the current implementation of HMOM and could help reconcile soot predictions by the reduced model with observations.

Counterflow↗
DOE OSTI2024

Microstructure development during rapid alloy solidification

Abstract Solidification processing of structural alloys can take place over an extremely wide range of solid–liquid interface velocities spanning six orders of magnitude, from the low-velocity constitutional supercooling limit of microns/s to the high-velocity absolute stability limit of m/s. In between these two limits, the solid–liquid interface is morphologically unstable and typically forms cellular-dendritic microstructures, but also other microstructures that remain elusive. Rapid developments in additive manufacturing have renewed the interest in modeling the high-velocity range, where approximate analytical theories provide limited predictions. In this article, we discuss recent advances in phase-field modeling of rapid solidification of metallic alloys, including a brief description of state-of-the-art experiments used for model validation. We describe how phase-field models can cope with the dual challenge of carrying out simulations on experimentally relevant length- and time scales and incorporating nonequilibrium effects at the solid–liquid interface that become dominant at rapid rates. We present selected results, illustrating how phase-field simulations have yielded unprecedented insights into high-velocity interface dynamics, shedding new light on both the absolute stability limit and the formation of banded microstructures that are a hallmark of rapid alloy solidification near this limit. We also discuss state-of-the-art experiments used to validate those insights. Graphical abstract

36 MATERIALS SCIENCE↗