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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 19 records

Controlled catalyst-transfer polymerization in graphene nanoribbon synthesis

Exercising direct control over the unusual electronic structures arising from quantum confinement effects in graphene nanoribbons (GNRs) is intimately linked to geometric boundary conditions imposed by the structure of the ribbon. Besides composition and position of substitutional dopant atoms, the symmetry of the unit cell, width, length, and termination of a GNR govern its electronic structure. Here, we present a rational design that integrates each of these interdependent variables within a modular bottom-up synthesis. Our hybrid chemical approach relies on a catalyst-transfer polymerization that establishes excellent control over length, width, and end groups. Complemented by a surface-assisted cyclodehydrogenation step, uniquely enabled by matrix-assisted direct (MAD) transfer protocols, geometry and functional handles encoded in a polymer template are faithfully mapped onto the structure of the corresponding GNR. Bond-resolved scanning tunneling microscopy (BRSTM) and spectroscopy (STS) validate the robust correlation between polymer template design and GNR electronic structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimizing flow condensation models for next-generation refrigerants in axial micro-fin aluminum tubes

To support the transition to next-generation refrigerants, accurate modelling of heat transfer and pressure drop is essential for designing efficient heat exchangers. Current models, largely based on traditional refrigerants and unexpanded micro-fin tubes, may not reliably predict performance for new refrigerants and expanded micro-fin geometries. This study evaluates four condensation models using experimental data for six A2L refrigerants: R-32, R-454B, R-454C, R-455A, R-1234yf, and R-1234ze(E). For heat transfer models, the Han and Lee (2005) model initially yields the best accuracy (mean absolute Deviation, MAD = 22.1%). To further improve predictions, a correction factor reduces the Cavallini et al. (2009) model’s MAD from 68.2% to 15.4%, while optimization of the Kedzierski and Goncalves (1997) model achieves a MAD of 13.1%. For pressure drop, the Cavallini et al. (1997) model proves most accurate (MAD = 6.4%), with the simpler Haraguchi et al. (1993) model also effective (MAD = 9.4%). Keywords: Flow condensation models, heat transfer coefficient, frictional pressure drop, next-generation refrigerants, aluminum micro-fin tubes

Hu, Yifeng [ORNL] (ORCID:0000000242875185)↗

Evaluation and development of flow condensation correlations using the data from low GWP refrigerants in an axial micro-fin aluminum tube

To mitigate global warming, the world is transitioning to refrigerants with low global warming potential (GWP). Supporting this shift requires a model that can accurately predict the heat transfer and pressure drop of new refrigerants, crucial for designing efficient heat exchangers. Existing models, however, are largely based on currently deployed refrigerants and primarily developed for unexpanded micro-fin tubes with spiral angles of 6° to 30°. Their applicability to new refrigerants, especially in expanded micro-fin tubes, is uncertain. This study assesses the performance of four well-known condensation models for six emerging refrigerants—R-32, R-454B, R-454C, R-455A, R-1234yf, and R-1234ze(E)—against experimental data. Initially, the Han and Lee (2005) model shows the best prediction accuracy with a mean absolute deviation (MAD) of 22.1 %. To enhance the accuracy of heat transfer models for new refrigerants and geometries with large temperature glides, two approaches are proposed. Here, the first approach applies a simple correction factor, reducing the MAD of the Cavallini et al. (2009) model from 68.2 % to 15.4 %. The second approach uses the variable metric method for minimization, fitting new constants to the data. This optimization results in the Kedzierski and Goncalves (1997) model achieving the highest accuracy, with a MAD of 13.1 %. For pressure drop models, the Cavallini et al. (1997) model is the most accurate with a MAD of 6.4 %, followed by the Haraguchi et al. (1993) model with a MAD of 9.4 %. Due to its simplicity, the Haraguchi et al. (1993) model is a practical option for predicting frictional pressure drop.

Axial micro-fin tubes↗

Analysis of Hydrology and Interim Measure Performance in the Chromium Plume at Los Alamos National Laboratory - 20498

Hexavalent chromium, Cr(VI), is present in the regional aquifer beneath Los Alamos National Laboratory (LANL) at concentrations greater than the New Mexico groundwater standard (50 ppb). The source of the Cr is blowdown from a power plant where potassium dichromate was used as a corrosion inhibitor from 1956 to 1972. Blowdown comingled with effluent from another source and migrated approximately 3 miles down a canyon, primarily as surface flow, until reaching an alluvial infiltration zone. The infiltrating water moved vertically through a thick (approximately 900 ft), complex stratigraphic sequence of unsaturated tuffs, basalt, and unconsolidated alluvial deposits. Horizontal transport also took place within spatially limited perched groundwater horizons in the vadose zone (VZ). Breakthrough at the regional aquifer water table is thought to have occurred in multiple hydraulic windows or 'drip points' located approximately 3 miles from the initial release site at the power plant. The regional aquifer is highly heterogeneous and anisotropic, and displays unconfined behavior in an upper zone and confined behavior at depth. The Cr(VI) contamination has so far remained confined to the upper approximately 25 m of the aquifer. The ambient hydraulic gradient in the regional aquifer is toward the east/southeast, but the water table is extremely flat in the Cr plume area compared to surrounding areas. There is some local variability in flow direction, potentially related to effects of seasonal pumping from nearby Los Alamos county water-supply wells, which draw from the regional aquifer several hundred feet below the water table. An interim measure (IM) is currently operating at the site to achieve hydraulic control of plume migration using a series of extraction wells, ion-exchange treatment, and injection along the downgradient portion of the plume. The migration of Cr contamination in the aquifer has been previously evaluated using a calibrated probabilistic numerical model, which has also been used to design the spatial configuration of extraction and injection wells for the IM, and to identify locations for monitoring wells. The model is built using the Finite Element Heat and Mass (FEHM) transfer code, and the Model Analysis and Decision Support (MADS) software is used for analyses. To date, the portion of the IM system that has operated in a continuous manner has been very effective at hydraulic control. Modifications to the flow field associated with the influence of IM pumping and injection are evaluated here, with modeling constraints to be provided by recent observations of tracers injected into both monitoring wells and IM injection wells, as well as opportunistic observations of geochemical signatures of treated ion-exchange effluent injected into IM injection wells. The tracer and geochemical data provide insights into modified flow directions within the Cr plume area that cannot be otherwise obtained. Results of the modeling work are being used to inform adaptive management of IM operations and will be a valuable tool for development and refinement of long-term remediation strategies. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

r 2 SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications

We combine a regularized variant of the strongly constrained and appropriately normed semilocal density functional with the latest generation semi-classical London dispersion correction. The resulting density functional approximation r 2 SCAN-D4 has the speed of generalized gradient approximations while approaching the accuracy of hybrid functionals for general chemical applications. We demonstrate its numerical robustness in real-life settings and benchmark molecular geometries, general main group and organo-metallic thermochemistry, and non-covalent interactions in supramolecular complexes and molecular crystals. Main group and transition metal bond lengths have errors of just 0.8%, which is competitive with hybrid functionals for main group molecules and outperforms them for transition metal complexes. The weighted mean absolute deviation (WTMAD2) on the large GMTKN55 database of chemical properties is exceptionally small at 7.5 kcal/mol. This also holds for metal organic reactions with an MAD of 3.3 kcal/mol. The versatile applicability to organic and metal–organic systems transfers to condensed systems, where lattice energies of molecular crystals are within the chemical accuracy (errors <1 kcal/mol).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

On falling film evaporator – A review of mechanisms and critical assessment of correlation on a horizontal tube bundle with updated development

Optimization of the energy efficiency and reduction of the greenhouse gas emission for the heat pump system is imperative to meet the net-zero goals at 2050. Chillers with falling film evaporator design not only possess better system performance but also contain less refrigerant inventory. Hence, accurate prediction of the evaporator performance is pivotal especially when charged with low-GWP refrigerant. Here, the study reviews the correlations for falling film evaporator with a horizontal tube bundle configuration. The major efforts of this study include four tasks: (a) literature review of the experimental studies and available empirical correlations; (b) comprehensive discussion of the falling film evaporation heat transfer mechanism; (c) development of a new rationally based correlation based on available literature; and (d) comparison of different correlations based on the existing data. The collected data includes 4114 data points from 8 sources, 6 refrigerants (R-600a, R-290, R-245fa, R-134a, R-1234ze(E), R-123), 5 types of the tubes (Plain, Turbo-GII-HP, GEWA-B, Low-fin, High-Flux), liquid Weber number from 2.2 × 10 –6 to 0.7, imposed vapor Weber number from 0 to 37.2, heat flux from 2.5 to 151.5 kW/m 2 , and film Reynolds number from 1 to 3159.8. The new correlation gives a MAD of 28.3%, and an R 2 of 0.86. Yet, the developed correlation considers various heat transfer mechanisms, including the transition point from falling film evaporation to the nucleate boiling, local evaporation, dry-out, mist flow, imposed flow, and enhanced tube effects.

42 ENGINEERING↗

Universal correlation for falling film evaporation heat transfer coefficients of water and seawater

Horizontal falling film evaporators are widely utilized in desalination industries to increase fresh water supply. However, universal correlations for seawater falling film evaporation under varied operational and geometrical conditions are simply unavailable in open literature. Thus, this study aims to develop such a universal correlation for both plain and enhanced tubes. The detailed heat transfer mechanisms are reviewed, and rational parameters are incorporated to develop the universal correlation. A dataset of 994 data points from 9 sources covering a wide range of conditions was compiled. These conditions include Reynolds numbers from 10 to 7235, heat fluxes from 7.7 to 208 kW/m -2 , saturation temperatures from 278 to 401 K, salinities from 0 to 60 gsalt kg -1 water, tube diameters from 15.8 to 50.8 mm, and liquid feeder height to diameter ratios from 1 to 2.25. Upon analysis, it was found that most of the recommended existing correlations exhibited poor predictive accuracy, as evidenced by larger MADs. The developed correlation in this study demonstrated the best predictive accuracy for the entire dataset, yielding a MAD of 16.8 % and an R 2 of 0.82. Furthermore, the performance of the new correlation was individually assessed across a broader spectrum of operational and design conditions, reflecting the individual conditions’ influences with an overall MAD of 20 %.

42 ENGINEERING↗

Scanning thermal plumes

In order to study the behavior and effects of thermal plumes associated with the condenser cooling of power plants, thermal line scans are periodically made from aircraft over all power plants along the Wisconsin shore of Lake Michigan. Simultaneous ground truth is also gathered with a radiometer. Some sequential imagery has been obtained for periods up to two hours to study short term variations in the surface temperature of the plume. The article concentrates on the techniques used to analyze thermal scanner data for a single power plant which was studied intensively. The calibration methods, temperature dependence of the thermal scanner, and calculation of the modulation transfer function for the scanner are treated. It is concluded that obtaining quantitative surface-temperature data from thermal scanning is a nontrivial task. Accuracies up to plus or minus 0.1 C are attainable.

Scarpace, F. L.↗

Universal correlation for falling film evaporation on a horizontal plain tube

Falling film evaporators are widely used in many industrial sectors, such as desalination, refrigeration & air-conditioning, and chemical processes. The heat transfer correlations suitable for wider operating conditions and various refrigerants are useful for designing falling film evaporators. Although many researchers developed the correlation for their own experimental data, there is a limited universal correlation for falling film evaporators. In addition, the dry-out effects were not considered in the available universal correlations. Here, therefore, this study proposes a new correlation for falling film evaporation on a single horizontal plain tube, which includes nucleate boiling, film evaporation, and dry-out effects. The proposed correlation covers a wider range of operating conditions (Heat flux is of 2.5–168kWm -2 , and film Reynolds number is up to 3500), various refrigerants (R134a, R245fa, R1234ze(E), R123, R32, R410A, R290, and R600a), and the large number of experimental data (1101 data in total). The proposed correlation is validated against the available standard correlation with regard to mean absolute deviation (MAD) and R 2 values. The MAD of the new correlation is about 10%, respectively, which is the lowest among other correlations. Similarly, the R 2 showed a value of 0.92, which is the highest compared to the existing correlations. A simplified correlation is also proposed.

42 ENGINEERING↗

First Sagittarius A* Event Horizon Telescope Results. V. Testing Astrophysical Models of the Galactic Center Black Hole

In this paper we provide a first physical interpretation for the Event Horizon Telescope's (EHT) 2017 observations of Sgr A*. Our main approach is to compare resolved EHT data at 230 GHz and unresolved non-EHT observations from radio to X-ray wavelengths to predictions from a library of models based on time-dependent general relativistic magnetohydrodynamics simulations, including aligned, tilted, and stellar-wind-fed simulations; radiative transfer is performed assuming both thermal and nonthermal electron distribution functions. We test the models against 11 constraints drawn from EHT 230 GHz data and observations at 86 GHz, 2.2μm, and in the X-ray. All models fail at least one constraint. Light-curve variability provides a particularly severe constraint, failing nearly all strongly magnetized (magnetically arrested disk (MAD)) models and a large fraction of weakly magnetized models. A number of models fail only the variability constraints. We identify a promising cluster of these models, which are MAD and have inclination i ≤ 30°. They have accretion rate (5.2–9.5) × 10$^{−9}$ M $_{⊙}$ yr$^{−1}$, bolometric luminosity (6.8–9.2) × 10$^{35}$ erg s$^{−1}$, and outflow power (1.3–4.8) × 10$^{38}$ erg s$^{−1}$. We also find that all models with i ≥ 70° fail at least two constraints, as do all models with equal ion and electron temperature; exploratory, nonthermal model sets tend to have higher 2.2μm flux density; and the population of cold electrons is limited by X-ray constraints due to the risk of bremsstrahlung overproduction. Finally, we discuss physical and numerical limitations of the models, highlighting the possible importance of kinetic effects and duration of the simulations.

79 ASTRONOMY AND ASTROPHYSICS↗

Scanning thermal plumes

Over a three-year period 800 thermal line scans of power plant plumes were made by an airborne scanner, with ground truth measured concurrently at the plants. Computations using centered finite differences in the thermal scanning imagery show a lower bound in the horizontal temperature gradient in excess of 1.6 C/m. Gradients persist to 3 m below the surface. Vector plots of the velocity of thermal fronts are constructed by tracing the front motion in successive thermal images. A procedure is outlined for the two-point ground calibration of a thermal scanner from an equation describing the scanner signal and the voltage for two known temperatures. The modulation transfer function is then calculated by input of a thermal step function and application of digital time analysis techniques using Fast Fourier Transforms to the voltage output. Field calibration tests are discussed. Data accuracy is limited by the level of ground truth effort chosen.

Scarpace, F. L.↗

Synchrotron Polarization Signatures of Surface Waves in Supermassive Black Hole Jets

Abstract Supermassive black holes in active galactic nuclei are known to launch relativistic jets, which are observed across the entire electromagnetic spectrum and thought to be efficient particle accelerators. Their primary radiation mechanism for radio emission is polarized synchrotron emission produced by a population of nonthermal electrons. In this Letter, we present a global general relativistic magnetohydrodynamical (GRMHD) simulation of a magnetically arrested disk (MAD). After the simulation reaches the MAD state, we show that waves are continuously launched from the vicinity of the black hole and propagate along the interface between the jet and the wind. At this interface, a steep gradient in velocity is present between the mildly relativistic wind and the highly relativistic jet. The interface is, therefore, a shear layer, and due to the shear, the waves generate roll-ups that alter the magnetic field configuration and the shear layer geometry. We then perform polarized radiation transfer calculations of our GRMHD simulation and find signatures of the waves in both total intensity and linear polarization, effectively lowering the fully resolved polarization fraction. The telltale polarization signatures of the waves could be observable by future very long baseline interferometric observations, e.g., the next-generation Event Horizon Telescope.

Astronomy & Astrophysics↗

Structural Basis for "Flip-Flop" Action of Human Pyruvate Dehydrogenase

The derivative of vitamin B1, thiamin pyrophosphate is a cofactor of pyruvate dehydrogenase, a component enzyme of the mitochondrial pyruvate dehydrogenase multienzyme complex that plays a major role in directing energy metabolism in the cell. This cofactor is used to cleave the C(sup alpha)-C(=O) bond of pyruvate followed by reductive acetyl transfer to lipoyl-dihydrolipoamide acetyltransferase. In alpha(sub 2)beta(sub 2)-tetrameric human pyruvate dehydrogenase, there are two cofactor binding sites, each of them being a center of independently conducted, although highly coordinated enzymatic reactions. The dynamic nonequivalence of two, otherwise chemically equivalent, catalytic sites can now be understood based on the recently determined crystal structure of the holo-form of human pyruvate dehydrogenase at 1.95A resolution. The structure of pyruvate dehydrogenase was determined using a combination of MAD phasing and molecular replacement followed by rounds of torsion-angles molecular-dynamics simulated-annealing refinement. The final pyruvate dehydrogenase structure included coordinates for all protein amino acids two cofactor molecules, two magnesium and two potassium ions, and 742 water molecules. The structure was refined to R = 0.202 and R(sub free) = 0.244. Our structural analysis of the enzyme folding and domain assembly identified a simple mechanism of this protein motion required for the conduct of catalytic action.

Ciszak, Ewa↗

NASA Aeronautics Multidisciplinary Analysis and Design Fellowship Program

This program began as a grant from NASA Headquarters, NGT-10025, which was in effect from 10/l/93 until 10/31/96. The remaining funding for this effort was transferred from NASA Headquarters to NASA Langley and a new grant NGT-1-52155 was issued covering the period II/l/96 to 5/15/99. This report serves as the final report of NGT-1-52155. For a number of years, Virginia Tech had been on the forefront of research in the area of multidisciplinary analysis and design. In June of 1994, faculty members from aerospace and ocean engineering, engineering science and mechanics, mechanical engineering, industrial engineering, mathematics and computer sciences, at Virginia Tech joined together to form the Multidisciplinary Analysis and Design (MAD) Center for Advanced Vehicles. The center was established with the single goal: to perform research that is relevant to the needs of the US industry and to foster collaboration between the university, government and industry. In October of 1994, the center was chosen by NASA headquarters as one of the five university centers to establish a fellowship program to develop a graduate program in multidisciplinary analysis and design. The fellowship program provides full stipend and tuition support for seven U. S. students per year during their graduate studies. The grant is currently being administered by the NMO Branch of NASA Langley. To advise us regarding the problems faced by the industry, an industrial advisory board has been formed consisting of representatives from industry as well as government laboratories. The present membership includes major aerospace companies: Aurora Flight Sciences, Boeing: Philadelphia, Boeing: Long Beach, Boeing: Seattle, Boeing: St. Louis, Cessna, Ford, General Electric, Hughes, Lockheed-Martin: Palo Alto, Northrop-Grumman, Sikorsky, smaller, aerospace software companies: Aerosoft, Phoenix Integration and Proteus Engineering, along with representatives from government agencies, including: NASA Ames, Langley and Lewis. The function of the advisory board is to channel information from its member companies to faculty members concerning problems that need research attention in the general area of multidisciplinary design optimization (MDO). The faculty and their graduate students make presentations to the board on their research. The board makes recommendations on the research and suggests new areas and problems which need attention. Many students participating in the program spend 3-6 months in industry working on their research projects. We are completing the fifth year of the fellowship program and have had four advisory board meetings in Blacksburg. Ten students have spent the three month periods in industry. In addition to the research element of the MAD Center efforts we also have an academic component. We have developed a menu of design-related graduate courses and two new courses: one in Aerospace Manufacturing and another in MDO. Some of the MAD Center activities are described on the world-wide web at http://www.aoe.vt.edu/mads.html The MAD Center represents an innovative approach for joint Industry-Government-University cooperation in the development of a comprehensive program in engineering education which addresses the design needs of industry. The following charts list detail of the grant: mission of the MAD center, faculty members, purpose of the advisory board, board members, summary of the graduate and undergraduate program, history of the fellowship program, mission of the fellowship program, requirements of MAD fellows, course requirements, students supported, advisory board participants, and MAD center research papers

Grossman, B.↗

Measurement and Control of Beam Energy at the Fermilab 400 MeV Transfer Line

Linac is the first machine in the Accelerator chain at Fermilab where particles are accelerated from 35 keV to 400 MeV and travel to the Booster where they are stripped of the extra electrons to become protons. Tuning Linac is performed using diagnostics to ensure stable intensity and energy while minimizing uncontrolled particle loss. I have been revisiting diagnostics in the Linac in order to understand their signals and to ensure their data is reliable. I revisited Beam Loss Monitors (BLMs) for the loss data confidence. For the confidence of energy data there were two approaches. The first approach was time-of-flight measurements using Beam Position Monitors (BPMs) and beam velocity stripline pick-up that provides beam phase data. The second approach used the relation between beam position data from BPMs and dispersion values from MAD-X simulation to calculate energy. Our goal after understanding the data from the Linac diagnostics and finding the data reliable is to control the L inac parameters using Machine Learning techniques to increase the reliability and quality of beam delivered from Linac.

43 PARTICLE ACCELERATORS↗

A Glycan Array-Based Assay for the Identification and Characterization of Plant Glycosyltransferases

Growing plants with modified cell wall compositions is a promising strategy to improve resistance to pathogens, increase biomass digestibility, and tune other important properties. In order to alter biomass architecture, a detailed knowledge of cell wall structure and biosynthesis is a prerequisite. We report here a glycan array-based assay for the high-throughput identification and characterization of plant cell wall biosynthetic glycosyltransferases (GTs). We demonstrate that different heterologously expressed galactosyl-, fucosyl-, and xylosyltransferases can transfer azido-functionalized sugar nucleotide donors to selected synthetic plant cell wall oligosaccharides on the array and that the transferred monosaccharides can be visualized “on chip” by a 1,3-dipolar cycloaddition reaction with an alkynyl-modified dye. The opportunity to simultaneously screen thousands of combinations of putative GTs, nucleotide sugar donors, and oligosaccharide acceptors will dramatically accelerate plant cell wall biosynthesis research.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Measurement of Beam Energy in the Fermilab&#x27;s Linac taken at the transfer Line

Linac is the first machine in the Accelerator chain at Fermilab where 𝐻− particles are accelerated from 35 keV to 400 MeV and travel to the Booster where they are stripped. of the extra electrons to become protons. The Booster requires stable beam energy at injection. The Linac extraction energy tuning has been performed using two Beam Velocity Monitors (a.k.a Griffin detectors) to maintain stable relative energy between the Booster and the Linac. Our goal is to control the Linac energy parameters using Machine Learning techniques to increase reliability and quality of beam delivered from Linac. The first step is to understand the data from the Linac extraction diagnostics; and develop reliable, accurate methods for energy measurement and control before implementing machine learning. There were two methods of energy measurement implemented, and the results of these are compared. The first method was time of flight measurements using the Phase probes inside B eam Position Monitors (BPM) that provide the beam’s phase of arrival data. The second method used the relation between beam position data from the BPMs and dispersion values from the 400MeV MAD-X model to calculate momentum variation. The results of these two energy measurement methods compare well as the Linac energy is varied.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

System Modeling Frameworks for Wind Turbines and Plants: Review and Requirements Specifications

System modeling frameworks for wind turbines and plants are used by research groups and industry to design wind energy systems that take into account key trade-offs across performance, cost, and reliability at both the turbine and plant level. The frameworks are exercised using a variety of multi-disciplinary design, analysis and optimization (MDAO) methods. To improve inter-operability and foster collaboration, this report proposes a classification system for the frameworks along dimensions of model fidelity and scope. The classification system is first motivated with reviews the state-of-the-art in the development of software frameworks for integrated wind turbine and plant simulation. Within each major wind turbine and power plant subsystem, a matrix is developed for the disciplines used and the fidelity levels with which each discipline can be modeled. The existing frameworks are then classified according to the matrix. Next, an ontology is proposed that will allow for standardizing how data is transferred between the most common discipline-fidelity combinations used in the frameworks. A common representation of data creates the ability to 1) share system descriptions and analysis results, supporting more transparent benchmarks and comparison, and 2) integrate models together into workflows within and across organizations for improving the efficiency and performance of wind turbine and power plant design processes. Ultimately, this integration leads to better overall wind energy system designs with high performance and low costs.

17 WIND ENERGY↗