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DOE OSTI2024

Data-driven closure modeling for hypersonic turbulent flows

The Reynolds-averaged Navier–Stokes (RANS) equations remain a workhorse technology for simulating compressible fluid flows of practical interest. Due to model-form errors, however, RANS models can yield erroneous predictions that preclude their use on mission-critical problems. This report summarizes work performed from FY22-FY24 focused on improving RANS models for hypersonic flows using data-driven modeling and scientific machine learning. In this work we: 1. Investigate the current capabilities of RANS models in Sandia’s parallel aerodynamics and re-entry code (SPARC) for hypersonic flows with a focus on shock boundary layer interactions (SBLIs), 2. Assess several established corrections that exist in the literature aimed at improving predictions for SBLIs, 3. Develop improved models for the Reynolds stress tensor using tensor-basis neural networks, 4. Develop a neural-network-based variable turbulent Prandtl number model to reduce errors in wall heating in SBLIs. 5. Begin future investigations including employing the LIFE framework to improve wall heating predictions in SBLIs as well as the ensemble Kalman filter. We find that current RANS models in SPARC are deficient for complex SBLI flows. In particular, no current model jointly predicts wall heat flux, wall shear stress, and wall pressure with reasonable accuracy. Existing corrections help, but do not alleviate this issue altogether. The development of improved models for the Reynolds stress tensor via tensor-basis neural networks results in more predictive RANS models across a suite of low-speed and high-speed cases. For hypersonic boundary layers, the inclusion of the wall-normal Reynolds stress via TBNNs has an appreciable impact on the wall-normal momentum balance and wall quantities. However, we find that improvements to the Reynolds stress tensor do not address the over-prediction in wall heat flux in SBLIs. We find that a neural-network-based variable turbulent Prandtl number model systematically and substantially improves wall heating predictions for a range of SBLI cases.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Gas-Cooled High-Temperature Pebble-Bed Reactor Reference Plant Model Updates

This work presents the latest improvements to, and investigations performed with, the pebble-bed high-temperature gas-cooled reactor (PB-HTGR) reference plant models for the United States Nuclear Regulatory Commission. These models serve as the foundation for the future development of detailed design evaluation models based on license applications. The reference plant models have been developed with the Comprehensive Reactor Analysis Bundle, or BlueCRAB, which is the code suite proposed for non-light-water reactor systems safety analysis. It incorporates various simulation tools developed by the Nuclear Energy Advanced Modeling and Simulation program, including the Griffin code for reactor physics, the Pronghorn and SAM codes for core thermal fluids, the BISON code for solid conduction and fuel performance, and the SAM code for system analysis. The primary objective of the work that was performed was to assess BlueCRAB’s level of readiness for modeling a PB-HTGR. To do so, we first developed numerical models in BlueCRAB that include the key physics for this technology to ensure an adequate level of fidelity for modeling PB-HTGR core performance and for performing multiphysics simulations for equilibrium core conditions and different accident scenarios. Then we simulated transient scenarios, including depressurized and pressurized loss of forced cooling accidents, over-cooling, and control rod withdrawal events with delayed and prompt supercritical reactivity insertions. The analysis in this report includes comparisons of the 2D thermal fluid porous media models in Pronghorn and SAM, and comparisons of coupled SAM/Griffin/SAM and coupled Pronghorn/Griffin for depressurized and pressurized loss of forced cooling, over-cooling, and control rod withdrawal events. In addition, we compare 3D, 2D, and 0D/PKE neutronic models for the two control rod withdrawal scenarios with coupled Pronghorn/Griffin. The comparisons show that the BlueCRAB models lead to physically intuitive solutions for the scenarios examined. The changes in the various scalar and vector fields, such as neutron flux, power, temperature, density, pressure, and velocity, are within the expected ranges, and their distributions can be explained by the system response of the transients and the geometric and material variations. Several comparisons suggest that the porous media models in Pronghorn and SAM can lead to similar solutions, even though they are based on different methodologies. This work further highlights the need for flexible tools with various levels of fidelity to cover the breadth and depth of needs that may arise in future technical evaluations of the PB-HTGR. We believe that the BlueCRAB capabilities will be a significant asset for confirmatory analyses in order to resolve important safety questions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

A multirate mass transfer model to represent the interaction of multicomponent biogeochemical processes between surface water and hyporheic zones (SWAT-MRMT-R 1.0)

Abstract. Surface water quality along river corridors can be modulated by hyporheic zones (HZs) that are ubiquitous and biogeochemically active. Watershed management practices often ignore the potentially important role of HZs as a natural reactor. To investigate the effect of hydrological exchange and biogeochemical processes on the fate of nutrients in surface water and HZs, a novel model, SWAT-MRMT-R, was developed coupling the Soil and Water Assessment Tool (SWAT) watershed model and the reaction module from a flow and reactive transport code (PFLOTRAN). SWAT-MRMT-R simulates concurrent nonlinear multicomponent biogeochemical reactions in both the channel water and its surrounding HZs, connecting the channel water and HZs through hyporheic exchanges using multirate mass transfer (MRMT) representation. Within the model, HZs are conceptualized as transient storage zones with distinguished exchange rates and residence times. The biogeochemical processes within HZs are different from those in the channel water. Hyporheic exchanges are modeled as multiple first-order mass transfers between the channel water and HZs. As a numerical example, SWAT-MRMT-R is applied to the Hanford Reach of the Columbia River, a large river in the United States, focusing on nitrate dynamics in the channel water. Major nitrate contaminants entering the Hanford Reach include those from the legacy waste, irrigation return flows (irrigation water that is not consumed by crops and runs off as point sources to the stream), and groundwater seepage resulting from irrigated agriculture. A two-step reaction sequence for denitrification and an aerobic respiration reaction is assumed to represent the biogeochemical transformations taking place within the HZs. The spatially variable hyporheic exchange rates and residence times in this example are estimated with the basin-scale Networks with EXchange and Subsurface Storage (NEXSS) model. Our simulation results show that (1), given a residence time distribution, how the exchange fluxes to HZs are approximated when using MRMT can significantly change the amount of nitrate consumption in HZs through denitrification and (2) source locations of nitrate have a different impact on surface water quality due to the spatially variable hyporheic exchanges.

58 GEOSCIENCES↗

NASA NTRS1980

Application of a reversible chemical reaction system to solar thermal power plants

Three distributed dish solar thermal power systems using various applications of SO2/SO3 chemical energy storage and transport technology were comparatively assessed. Each system features various roles for the chemical system: (1) energy storage only, (2) energy transport, or (3) energy transport and storage. These three systems were also compared with the dish-Stirling, using electrical transport and battery storage, and the central receiver Rankine system, with thermal storage, to determine the relative merit of plants employing a thermochemical system. As an assessment criterion, the busbar energy costs were compared. Separate but comparable solar energy cost computer codes were used for distributed receiver and central receiver systems. Calculations were performed for capacity factors ranging from 0.4 to 0.8. The results indicate that SO2/SO3 technology has the potential to be more cost effective in transporting the collected energy than in storing the energy for the storage capacity range studied (2-15 hours)

Hanseth, E. J.↗

NASA NTRS1985

Error Reduction Program

The details of a study to select, incorporate and evaluate the best available finite difference scheme to reduce numerical error in combustor performance evaluation codes are described. The combustor performance computer programs chosen were the two dimensional and three dimensional versions of Pratt & Whitney's TEACH code. The criteria used to select schemes required that the difference equations mirror the properties of the governing differential equation, be more accurate than the current hybrid difference scheme, be stable and economical, be compatible with TEACH codes, use only modest amounts of additional storage, and be relatively simple. The methods of assessment used in the selection process consisted of examination of the difference equation, evaluation of the properties of the coefficient matrix, Taylor series analysis, and performance on model problems. Five schemes from the literature and three schemes developed during the course of the study were evaluated. This effort resulted in the incorporation of a scheme in 3D-TEACH which is usuallly more accurate than the hybrid differencing method and never less accurate.

Syed, S. A.↗

NASA NTRS1991

Radiation protection for human missions to the Moon and Mars

Radiation protection assessments are performed for advanced Lunar and Mars manned missions. The Langley cosmic ray transport code and the nucleon transport code are used to quantify the transport and attenuation of galactic cosmic rays and solar proton flares through various shielding media. Galactic cosmic radiation at solar maximum and minimum, as well as various flare scenarios are considered. Propagation data for water, aluminum, liquid hydrogen, lithium hydride, lead, and lunar and Martian regolith (soil) are included. Shield thickness and shield mass estimates required to maintain incurred doses below 30 day and annual limits (as set for Space Station Freedom and used as a guide for space exploration) are determined for simple geometry transfer vehicles. On the surface of Mars, dose estimates are presented for crews with their only protection being the carbon dioxide atmosphere and for crews protected by shielding provided by Martian regolith for a candidate habitat.

Simonsen, Lisa C.↗

NASA NTRS1991

Practical response to radiation assessment for spacecraft design

An innovative radiative assessment system that combines the advantages of computer-aided design and enhanced radiative transport codes is described. An analysis of a Space Station habitat module is carried out. A scheme that makes it possible to account for anisotropies existing in the radiation environment of LEO is developed.

Appleby, M. H.↗

NASA NTRS1991

Mission and system optimization of nuclear electric propulsion vehicles for lunar and Mars missions

The detailed mission and system optimization of low thrust electric propulsion missions is a complex, iterative process involving interaction between orbital mechanics and system performance. Through the use of appropriate approximations, initial system optimization and analysis can be performed for a range of missions. The intent of these calculations is to provide system and mission designers with simple methods to assess system design without requiring access or detailed knowledge of numerical calculus of variations optimizations codes and methods. Approximations for the mission/system optimization of Earth orbital transfer and Mars mission have been derived. Analyses include the variation of thruster efficiency with specific impulse. Optimum specific impulse, payload fraction, and power/payload ratios are calculated. The accuracy of these methods is tested and found to be reasonable for initial scoping studies. Results of optimization for Space Exploration Initiative lunar cargo and Mars missions are presented for a range of power system and thruster options.

Gilland, James H.↗

NASA NTRS1997

Inlet Distortion for an F/A-18A Aircraft During Steady Aerodynamic Conditions up to 60 deg Angle of Attack

The effects of high-angle-of-attack flight on aircraft inlet aerodynamic characteristics were investigated at NASA Dryden Flight Research Center, Edwards, California, as part of NASA's High Alpha Technology Program. The highly instrumented F/A-18A High Alpha Research Vehicle was used for this research. A newly designed inlet total-pressure rake was installed in front of the starboard F404-GE-400 engine to measure inlet recovery and distortion characteristics. One objective was to determine inlet total-pressure characteristics at steady high-angle-of-attack conditions. Other objectives include assessing whether significant differences exist in inlet distortion between rapid angle-of-attack maneuvers and corresponding steady aerodynamic conditions, assessing inlet characteristics during aircraft departures, providing data for developing and verifying computational fluid dynamic codes, and calculating engine airflow using five methods. This paper addresses the first objective by summarizing results of 79 flight maneuvers at steady aerodynamic conditions, ranging from -10 deg to 60 deg angle of attack and from -8 deg to 11 deg angle of sideslip at Mach 0.3 and 0.4. These data and the associated database have been rigorously validated to establish a foundation for understanding inlet characteristics at high angle of attack.

Walsh, Kevin R.↗

NASA NTRS2004

Advanced Chemical Propulsion Study

A study was performed of advanced chemical propulsion technology application to space science (Code S) missions. The purpose was to begin the process of selecting chemical propulsion technology advancement activities that would provide greatest benefits to Code S missions. Several missions were selected from Code S planning data, and a range of advanced chemical propulsion options was analyzed to assess capabilities and benefits re these missions. Selected beneficial applications were found for higher-performing bipropellants, gelled propellants, and cryogenic propellants. Technology advancement recommendations included cryocoolers and small turbopump engines for cryogenic propellants; space storable propellants such as LOX-hydrazine; and advanced monopropellants. It was noted that fluorine-bearing oxidizers offer performance gains over more benign oxidizers. Potential benefits were observed for gelled propellants that could be allowed to freeze, then thawed for use.

Woodcock, Gordon↗

NASA NTRS2004

Advanced Chemical Propulsion Study

Woodcock, Gordon↗

NASA NTRS2005

Airborne Shaped Sonic Boom Demonstration Pressure Measurements with Computational Fluid Dynamics Comparisons

The Shaped Sonic Boom Demonstration project showed for the first time that by careful design of aircraft contour the resultant sonic boom can maintain a tailored shape, propagating through a real atmosphere down to ground level. In order to assess the propagation characteristics of the shaped sonic boom and to validate computational fluid dynamics codes, airborne measurements were taken of the pressure signatures in the near field by probing with an instrumented F-15B aircraft, and in the far field by overflying an instrumented L-23 sailplane. This paper describes each aircraft and their instrumentation systems, the airdata calibration, analysis of the near- and far-field airborne data, and shows the good to excellent agreement between computational fluid dynamics solutions and flight data. The flights of the Shaped Sonic Boom Demonstration aircraft occurred in two phases. Instrumentation problems were encountered during the first phase, and corrections and improvements were made to the instrumentation system for the second phase, which are documented in the paper. Piloting technique and observations are also given. These airborne measurements of the Shaped Sonic Boom Demonstration aircraft are a unique and important database that will be used to validate design tools for a new generation of quiet supersonic aircraft.

Haering, Edward A., Jr.↗

NASA NTRS2009

Reaction Wheel Disturbance Model Extraction Software - RWDMES

The RWDMES is a tool for modeling the disturbances imparted on spacecraft by spinning reaction wheels. Reaction wheels are usually the largest disturbance source on a precision pointing spacecraft, and can be the dominating source of pointing error. Accurate knowledge of the disturbance environment is critical to accurate prediction of the pointing performance. In the past, it has been difficult to extract an accurate wheel disturbance model since the forcing mechanisms are difficult to model physically, and the forcing amplitudes are filtered by the dynamics of the reaction wheel. RWDMES captures the wheel-induced disturbances using a hybrid physical/empirical model that is extracted directly from measured forcing data. The empirical models capture the tonal forces that occur at harmonics of the spin rate, and the broadband forces that arise from random effects. The empirical forcing functions are filtered by a physical model of the wheel structure that includes spin-rate-dependent moments (gyroscopic terms). The resulting hybrid model creates a highly accurate prediction of wheel-induced forces. It accounts for variation in disturbance frequency, as well as the shifts in structural amplification by the whirl modes, as the spin rate changes. This software provides a point-and-click environment for producing accurate models with minimal user effort. Where conventional approaches may take weeks to produce a model of variable quality, RWDMES can create a demonstrably high accuracy model in two hours. The software consists of a graphical user interface (GUI) that enables the user to specify all analysis parameters, to evaluate analysis results and to iteratively refine the model. Underlying algorithms automatically extract disturbance harmonics, initialize and tune harmonic models, and initialize and tune broadband noise models. The component steps are described in the RWDMES user s guide and include: converting time domain data to waterfall PSDs (power spectral densities); converting PSDs to order analysis data; extracting harmonics; initializing and simultaneously tuning a harmonic model and a wheel structural model; initializing and tuning a broadband model; and verifying the harmonic/broadband/structural model against the measurement data. Functional operation is through a MATLAB GUI that loads test data, performs the various analyses, plots evaluation data for assessment and refinement of analysis parameters, and exports the data to documentation or downstream analysis code. The harmonic models are defined as specified functions of frequency, typically speed-squared. The reaction wheel structural model is realized as mass, damping, and stiffness matrices (typically from a finite element analysis package) with the addition of a gyroscopic forcing matrix. The broadband noise model is realized as a set of speed-dependent filters. The tuning of the combined model is performed using nonlinear least squares techniques. RWDMES is implemented as a MATLAB toolbox comprising the Fit Manager for performing the model extraction, Data Manager for managing input data and output models, the Gyro Manager for modifying wheel structural models, and the Harmonic Editor for evaluating and tuning harmonic models. This software was validated using data from Goodrich E wheels, and from GSFC Lunar Reconnaissance Orbiter (LRO) wheels. The validation testing proved that RWDMES has the capability to extract accurate disturbance models from flight reaction wheels with minimal user effort.

Blaurock, Carl↗

NASA NTRS2021

Analysis of simultaneous aerosol and ocean glint retrieval using multi-angle observations

Since early 2000, NASA's Multi-angle Imaging SpectroRadiometer (MISR) instrument has been performing remote sensing retrievals of aerosol optical properties from the polar-orbiting Terra spacecraft. A noteworthy aspect of MISR observations over the ocean is that, for much of the Earth, some of the multi-angle views have contributions from solar reflection by the ocean surface (glint, or glitter), while others do not. Aerosol retrieval algorithms often discard these glint-influenced observations because they can overwhelm the signal and are difficult to predict without knowledge of the (wind-speed-driven) ocean surface roughness. However, theoretical studies have shown that multi-angle observations of a location at geometries with and without reflected sun glint can be a rich source of information, sufficient to support simultaneous retrieval of both the aerosol state and the wind speed at the ocean surface. We are in the early stages of creating such an algorithm. In this paper, we describe our assessment of the appropriate level of parameterization for simultaneous aerosol and ocean surface property retrievals using sun glint. For this purpose, we use generalized nonlinear retrieval analysis (GENRA), an information content assessment (ICA) technique employing Bayesian inference, and simulations from the Ahmad–Fraser iterative radiative transfer code. We find that four parameters are suitable: aerosol optical depth (τ), particle size distribution (expressed as the fine mode fraction f of small particles in a bimodal size distribution), surface wind speed (w), and relative humidity (r, to define the aerosol water content and complex refractive index). None of these parameters define ocean optical properties, as we found that the aerosol state could be retrieved with the nine MISR near-infrared views alone, where the ocean body is strongly absorbing in the open ocean. We also found that retrieval capability varies with observation geometry and that as τ increases so does the ability to determine aerosol intensive optical properties (r and f, while it decreases for w). Increases in w decrease the ability to determine the true value of that parameter but have minimal impact on retrieval of aerosol properties. We explored the benefit of excluding the two most extreme MISR view angles for which radiative transfer with the plane-parallel approximation is less certain, but we found no advantage in doing so. Finally, the impact of treating wind speed as a scalar parameter, rather than as a two-parameter directional wind, was tested. While the simpler scalar model does contribute to overall aerosol uncertainty, it is not sufficiently large to justify the addition of another dimension to parameter space. An algorithm designed upon these principles is in development. It will be used to perform an atmospheric correction with MISR for coincident ocean color (OC) observations by the Moderate Resolution Imaging Spectroradiometer (MODIS) instrument, also on the NASA Terra spacecraft. Unlike MISR, MODIS is a single-view-angle instrument, but it has a more complete set of spectral channels ideal for determination of optical ocean properties. The atmospheric correction of MODIS OC data can therefore benefit from MISR aerosol retrievals. Furthermore, higher-spatial-resolution data from coincident MISR observations may also improve glint screening.

Kirk Knobelspiesse↗

NASA NTRS2020

Sonic Booms in Atmospheric Turbulence (SonicBAT): The Influence of Turbulence on Shaped Sonic Booms

The objectives of the Sonic Booms in Atmospheric Turbulence (SonicBAT) Program were to develop and validate, via research flight experiments under a range of realistic atmospheric conditions, one numeric turbulence model research code and one classic turbulence model research code using traditional N-wave booms in the presence of atmospheric turbulence, and to apply these models to assess the effects of turbulence on the levels of shaped sonic booms predicted from low boom aircraft designs. The SonicBAT program has successfully investigated sonic boom turbulence effects through the execution of flight experiments at two NASA centers, Armstrong Flight Research Center (AFRC) and Kennedy Space Center (KSC), collecting a comprehensive set of acoustic and atmospheric turbulence data that were used to validate the numeric and classic turbulence models developed. The validated codes were incorporated into the PCBoom sonic boom prediction software and used to estimate the effect of turbulence on the levels of shaped sonic booms associated with several low boom aircraft designs. The SonicBAT program was a four year effort that consisted of turbulence model development and refinement throughout the entire period as well as extensive flight test planning that culminated with the two research flight tests being conducted in the second and third years of the program. The SonicBAT team, led by Wyle, includes partners from the Pennsylvania State University, Lockheed Martin, Gulfstream Aerospace, Boeing, Eagle Aeronautics, Technical & Business Systems, and the Laboratory of Fluid Mechanics and Acoustics (France). A number of collaborators, including the Japan Aerospace Exploration Agency, also participated by supporting the experiments with human and equipment resources at their own expense. Three NASA centers, AFRC, Langley Research Center (LaRC), and KSC were essential to the planning and conduct of the experiments. The experiments involved precision flight of either an F-18A or F-18B executing steady, level passes at supersonic airspeeds in a turbulent atmosphere to create sonic boom signatures that had been distorted by turbulence. The flights spanned a range of atmospheric turbulence conditions at NASA Armstrong and Kennedy in order to provide a variety of conditions for code validations. The SonicBAT experiments at both sites were designed to capture simultaneous F-18A or F-18B onboard flight instrumentation data, high fidelity ground based and airborne acoustic data, surface and upper air meteorological data, and additional meteorological data from ultrasonic anemometers and SODARs to determine the local atmospheric turbulence and boundary layer height.

Bradley, Kevin A.↗

DOE OSTI2022

AR reactor neutronics multi-code validation*

The affordable, robust, compact (ARC) reactor is a tokamak fusion reactor concept currently under development by Commonwealth Fusion Systems and Massachusetts Institute of Technology. There are three important neutronics considerations for the operation of the ARC reactor: (1) breeding of enough tritium in the blanket to sustain the D–T reaction in the plasma; (2) ensuring low fluence on the superconducting toroidal field coils; and (3) assessing neutron volumetric heating in structural components. Here, this work aims to perform a validation of the neutronics analysis approach by code-to-code comparison. State-of-the-art software stacks are employed for the neutronics analysis of the ARC reactor, and a computer-aided design (CAD) model is used directly for Monte Carlo (MC) neutron transport calculations. Three software stacks, Attila-MCNP, OpenMC-DAGMC, and Shift-DAGMC, are used to perform neutronic analyses of a 90° sector CAD model of the ARC reactor. In conclusion, results show that the flux tallies calculated by the three software stacks are very close. Also, the volumetric heating and tritium breeding values have less than 0.6% relative difference between codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Model Energy Codes End-Use Opportunity Analysis

Model energy codes (ASHRAE Standard 90.1 and IECC) has significantly impacted programs and policies aimed at improving energy efficiency both in United States and across the globe. Standard 90.1, first published in 1975 (originally referred to as Standard 90) provides minimum energy efficiency guidelines for designing, constructing, operating, and maintaining new construction and renovated buildings. It is updated continuously, with new editions published every 3 years. Pacific Northwest National Laboratory (PNNL) conducts simulated energy and cost savings analysis of model energy codes to determine their expected impact and to track progress toward net-zero goals and efficiency targets. Additionally, the simulation outputs are examined to assess how energy is used across primary systems within prominent U.S. commercial building types to understand how energy is used in each building type at the end-use level and to identify areas for improvements in future code cycles. This end-use opportunity analysis of model energy codes provides ASHRAE technical committees and other interested parties a better understanding of how the Standard affects various building systems and end uses, specifically, those in the Standard that most prominently influence energy efficiency. Additionally, findings provide industry stakeholders guidance in identifying building types and end-uses with the most potential for energy efficiency improvements through energy codes and those that may require beyond code measures to meet energy use reduction targets. This paper summarizes features and functionalities of a webtool created by PNNL to explore and visualize the End-Use opportunity analysis.

ASHRAE 90.1, Energy Codes, Tableau↗

DOE OSTI2023

Data and code repository for "How do the weather regimes drive wind speed and power production at the sub-seasonal to seasonal timescales over the CONUS?"

There has been an increasing need for forecasting power generation at the sub-seasonal to seasonal (S2S) timescales to support the operation, management, and planning of the wind-energy system. At the S2S timescales, atmospheric variability is largely related to recurrent and persistent weather patterns, referred to as weather regimes (WRs). In the study "How do the weather regimes drive wind speed and power production at the sub-seasonal to seasonal timescales over the CONUS?", we identify four WRs that influence wind resources over North America using a self-organizing map (SOM) algorithm. These WRs are responsible for large-scale wind and power production anomalies over the CONUS at the S2S timescales. The WR-based reconstruction explains up to 50% of the monthly variance of power production over the western United States, and the explanatory power generally increases with the increase of timescales. The identified relationship between WRs and power production reveals the potential and limitations of the regional WR-based wind resource assessment over different regions of the CONUS across multiple timescales. This repository includes all the data and codes we use for analyses in this study. Users may use them to reproduce the results of this study on their end.

17 WIND ENERGY↗