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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 217 records · Page 12

AmeriFlux US-xGR NEON Great Smoky Mountains National Park, Twin Creeks (GRSM)

This is the AmeriFlux version of the carbon flux data for the site US-xGR NEON Great Smoky Mountains National Park, Twin Creeks (GRSM). Site Description - Great Smoky Mountains National Park straddles the ridgeline of the Great Smoky Mountains, the lower section in latitude of the Blue Ridge Mountains, which divides the larger Appalachian Mountain chain. The border between Tennessee and North Carolina runs northeast to southwest through the centerline of the park. Plants and animals common in the country's Northeast have found suitable ecological niches in the park's higher elevations, while southern species find homes in the balmier lower reaches.

Network), NEON (National Ecological Observatory↗

Machine Learning Classification of Molten Salt Heat Exchanger Channel Plugging using Synthetic Data

This report addresses the requirements of Milestone M3.4 AI capability to identify and predict maintenance events. Development of digital twins (DT) for molten salt reactor (MSR) components is crucial for reducing operating and maintenance costs (O&M) and ensuring commercial viability of these reactors. Our focus is on development of DT for MSR primary system heat exchanger (HX), a critical component, the fault in which can reduce operating efficiency and force reactor shutdown. We are investigating the feasibility of a conceptual DT of HX consisting of internal distributed temperature sensing with fiber optics and machine learning (ML) algorithms to detect and localize faults. To determine the optimal approach to detection and localization of channel plugging, we benchmark seven different ML models: Logistic Regression, K-Nearest Neighbors (KNN), Gaussian Naïve Bayes, Support Vector Machines (SVM), Decision Tree Classifier, Random Forest Tree Classifier, and Feed-Forward Neural Network. ML algorithms are benchmarked using synthetic HX plugging data generated with computational fluid dynamics COMSOL software, with added brown noise to represent experimental noise. We show that the best performance is obtained with the Decision Tree classifier.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Multi-fidelity information fusion with concatenated neural networks

Recently, computational modeling has shifted towards the use of statistical inference, deep learning, and other data-driven modeling frameworks. Although this shift in modeling holds promise in many applications like design optimization and real-time control by lowering the computational burden, training deep learning models needs a huge amount of data. This big data is not always available for scientific problems and leads to poorly generalizable data-driven models. This gap can be furnished by leveraging information from physics-based models. Exploiting prior knowledge about the problem at hand, this study puts forth a physics-guided machine learning (PGML) approach to build more tailored, effective, and efficient surrogate models. For our analysis, without losing its generalizability and modularity, we focus on the development of predictive models for laminar and turbulent boundary layer flows. In particular, we combine the self-similarity solution and power-law velocity profile (low-fidelity models) with the noisy data obtained either from experiments or computational fluid dynamics simulations (high-fidelity models) through a concatenated neural network. We illustrate how the knowledge from these simplified models results in reducing uncertainties associated with deep learning models applied to boundary layer flow prediction problems. The proposed multi-fidelity information fusion framework produces physically consistent models that attempt to achieve better generalization than data-driven models obtained purely based on data. While we demonstrate our framework for a problem relevant to fluid mechanics, its workflow and principles can be adopted for many scientific problems where empirical, analytical, or simplified models are prevalent. In line with grand demands in novel PGML principles, this work builds a bridge between extensive physics-based theories and data-driven modeling paradigms and paves the way for using hybrid physics and machine learning modeling approaches for next-generation digital twin technologies.

42 ENGINEERING↗

AmeriFlux FLUXNET-1F US-xGR NEON Great Smoky Mountains National Park, Twin Creeks (GRSM)

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-xGR NEON Great Smoky Mountains National Park, Twin Creeks (GRSM). This is the FLUXNET version of the carbon flux data for the site US-xGR NEON Great Smoky Mountains National Park, Twin Creeks (GRSM) produced by applying the standard ONEFlux (1F) software. Site Description - Great Smoky Mountains National Park straddles the ridgeline of the Great Smoky Mountains, the lower section in latitude of the Blue Ridge Mountains, which divides the larger Appalachian Mountain chain. The border between Tennessee and North Carolina runs northeast to southwest through the centerline of the park. Plants and animals common in the country's Northeast have found suitable ecological niches in the park's higher elevations, while southern species find homes in the balmier lower reaches.

Network), NEON (National Ecological Observatory↗

My Virtual Cancer

Since each cancer has its own unique characteristics, each one can respond differently to the same treatments. Therefore, the creation of a digital twin (DT) of cancer can assist us in predicting the evolution of an individual's cancer through modeling each tumor's characteristics and response to treatment. Hence, we propose to take advantage of new advances in computational approaches and combine mechanistic, machine learning, and stochastic modeling approaches to create “My Virtual Cancer", a DT platform. To establish a personalized DT, we use patient-specific data for parameter estimations, sensitivity analysis, and uncertainty quantification. For each patient, we will estimate the values of parameters of their QSP model using the patient's data. We perform a multi-dimensional sensitivity analysis and uncertainty quantification on the mechanistic model to find a set of critical interactions and predict the intervals of confidence. Since this QSP model includes the data-driven mechanistic model of cells and molecules' interaction networks, one of the ultimate results of this DT would be the prediction of evolution of tumors.

60 APPLIED LIFE SCIENCES↗

N 2 Onet: a global collaborative network facilitating advances in measurement, modeling, and mitigation of agricultural soil nitrous oxide emissions

Nitrogen (N) fertilizer supports global food production, but its use and overuse drive emissions of nitrous oxide (N 2 O), a potent and long-lived greenhouse gas. Understanding the drivers of N 2 O fluxes remains elusive, making it difficult to predict emissions in time and space and to develop and evaluate ways to lower emissions through management. Major scientific uncertainties underlying the understanding of the drivers of N 2 O fluxes identified in a workshop of N 2 O emissions experts include poor process-based understanding of controls on soil N 2 O emissions in the field; insufficient data to reduce uncertainty in N 2 O budgets from the field to regional scales, including N 2 O emission measurements and importantly, field-scale N balances; and high uncertainty in model predictions of soil N 2 O emissions across environmental and management conditions. To reduce these uncertainties, we present the concept of N 2 Onet, a global collaborative initiative to accelerate advances in N 2 O measurement, analyses, and mitigation. N 2 Onet will serve as an observational network of supersites with multi-scale measurements; a database hub for N 2 O flux and ancillary data; and a catalyst for community building, information sharing, and training. By coalescing and coordinating the global community of researchers, N 2 Onet will provide a roadmap for reducing N 2 O emissions from agriculture worldwide.

54 ENVIRONMENTAL SCIENCES↗

High-Thermal-Conductivity Fabrics

Heat management with common textiles such as nylon and spandex is hindered by the poor thermal conductivity from the skin surface to cooling surfaces. This innovation showed marked improvement in thermal conductivity of the individual fibers and tubing, as well as components assembled from them. The problem is centered on improving the heat removal of the liquid-cooled ventilation garments (LCVGs) used by astronauts. The current design uses an extensive network of water-cooling tubes that introduces bulkiness and discomfort, and increases fatigue. Range of motion and ease of movement are affected as well. The current technology is the same as developed during the Apollo program of the 1960s. Tubing material is hand-threaded through a spandex/nylon mesh layer, in a series of loops throughout the torso and limbs such that there is close, form-fitting contact with the user. Usually, there is a nylon liner layer to improve comfort. Circulating water is chilled by an external heat exchanger (sublimator). The purpose of this innovation is to produce new LCVG components with improved thermal conductivity. This was addressed using nanocomposite engineering incorporating high-thermalconductivity nanoscale fillers in the fabric and tubing components. Specifically, carbon nanotubes were added using normal processing methods such as thermoplastic melt mixing (compounding twin screw extruder) and downstream processing (fiber spinning, tubing extrusion). Fibers were produced as yarns and woven into fabric cloths. The application of isotropic nanofillers can be modeled using a modified Nielsen Model for conductive fillers in a matrix based on Einstein s viscosity model. This is a drop-in technology with no additional equipment needed. The loading is limited by the ability to maintain adequate dispersion. Undispersed materials will plug filtering screens in processing equipment. Generally, the viscosity increases were acceptable, and allowed the filled polymers to still be processed.The novel feature is that fabrics do not inherently possess good thermal conductivity. In fact, fabrics are used for thermal insulation, not heat removal. The technology represents the first material that is a wearable fabric, based on company textiles and materials that will significantly conduct heat.

Chibante, L. P. Felipe↗

Model Development and Analysis of a High-Fidelity Neutron Transport Sensor: The Quadrupole Detector Concept for Measurement of the Neutron Flux Gradient

Accurate reconstruction of the neutron flux distribution within a reactor core is essential for safe and efficient reactor operation. Traditional power shape synthesis in Light Water Reactors relies on hundreds of in-core detectors. However, this approach becomes impractical for Advanced Reactors and Microreactors due to limited space and harsh environments. To address this challenge, we propose a data-driven methodology that combines high-fidelity modeling with real-time ex-core sensor measurements, enabling the reconstruction of core power distribution while minimizing the reliance on intrusive in-core instrumentation. This project began in FY24 and achieved two initial milestones: (1) the definition of a three-year development plan for a Digital Twin framework and (2) the development of high-fidelity neutronics models of the Purdue University Reactor One (PUR-1) using both MCNP6 and OpenMC. The PUR-1 reactor, a zero-power facility, was selected due to its suitability for neutronics-focused modeling and the availability of experimental data for validation. Both models were benchmarked using neutron flux measurements obtained from irradiated gold foils, which were strategically placed within the core during a dedicated campaign in July 2024. This report marks the continuation and completion of those foundational tasks. The OpenMC model has been refined (improved geometric accuracy, expanded cross-section libraries, and refined sampling) and validated using additional experimental data. An updated sensor design—based on quadrupole configuration—was designed to measure both ex-core flux and its spatial gradient. These measurements will serve as inputs to a neural network-based reconstruction algorithm. Finally, the methodology was demonstrated on a two-dimensional test case representative of the heterogeneous material composition of the PUR-1 reactor core. A neural network implementation of the Kirchhoff-Helmholtz integral equation was employed to solve the boundary value problem using peripheral sensor measurements. The preliminary results confirm the strong potential of the proposed approach for accurate and minimally invasive neutron flux reconstruction.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Self-consistent equilibrium and transport simulations for NSTX-U plasmas enhanced via machine learning surrogate models

The Control-Oriented Transport SIMulator (COTSIM) is an advanced equilibrium and transport code designed for simulating tokamak discharges at computational speeds suitable for control applications. COTSIM’s modular framework enables users to select models that balance accuracy with speed according to specific needs, allowing the code to operate from fast to faster-than-real-time performance levels. This work presents recent enhancements to COTSIM’s predictive accuracy for NSTX-U scenarios, achieved by integrating neural-network-based surrogate models and self-consistent equilibrium calculations. To improve source deposition predictions, a surrogate model for NUBEAM has been incorporated. Additionally, a surrogate model for the Multi-Mode Module (MMM) now supports predictions of anomalous thermal, momentum, and particle diffusivities—key factors for modeling the evolution of temperature and rotation. Each surrogate model was specifically trained for the NSTX-U operational regime to enhance COTSIM’s accuracy while maintaining computational efficiency. Moreover, COTSIM now couples fixed-boundary equilibrium solvers with its transport solvers, enabling self-consistent predictions of plasma profiles and equilibrium evolution over the discharge. Simulation results demonstrate strong agreement between COTSIM and TRANSP predictions for NSTX-U discharges. These substantial advancements expand COTSIM’s utility in model-based control applications for NSTX-U. Potential applications include simultaneous optimization of equilibrium and transport scenarios, integration into digital twins, real-time profile estimation (e.g., temperature and rotation) from limited or noisy measurements, and advanced feedback-based scenario control.

Equilibrium and transport modeling↗

A characterization of quantum Kerr optical frequency combs

Quantum Kerr optical frequency combs are generated by pumping a high-Q microresonator with a continuous wave resonant laser. Below threshold, two pump photons are symmetrically up- and down-converted as twin photons via spontaneous four-wave mixing, thereby generating up to a hundred paired channels. Furthermore, these chipscale, high-dimensional and room-temperature systems are expected to play a major role in quantum engineering. However, their theoretical description is still unclear. Here, we present an explicit description of this quantum system via a frequency-bin state and its density operator, and explore the properties of the eigenkets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Agentic traffic intelligence: Augmented human-in-the-loop scenario generation for microscopic traffic simulation

Traditional microscopic traffic simulation generation often relies on static datasets and manual design, limiting its ability to simulate complex conditions easily. This paper presents a novel framework, Agentic Traffic Intelligence, which combines human approval large language models (LLMs), the Real-Twin tool, and multi-agent systems to perform realistic microscopic traffic simulation scenario generation. The proposed framework incorporates human-in-the-loop (HIL) control, retrieval-augmented generation (RAG), and multi-agent control mechanisms. HIL mechanisms are used to guide multiple LLMs focused on attributes for microscopic simulation generation and to improve the interpretability and transparency of LLM execution for users. RAG enhances context extraction by dynamically integrating external knowledge sources for traffic scenario generation foundations. A multi-agent architecture with supervisory control coordinates the interaction of simulation components, including traffic simulators, control logic, and calibration tools. This enables the synthesis of simulation-ready scenarios that reflect dynamic demand profiles and behavior controls. Furthermore, the framework fuses multisource traffic data with unstructured context and supports iterative refinement through interactive user feedback. Validated through microscopic simulation using Simulation of Urban Mobility, the generated scenarios demonstrate high-fidelity network generation with inflow and turn movement and behavioral calibration, offering a robust and efficient tool for stress-testing and optimizing urban mobility systems.

Hierarchical multi-agent control↗

Features of steady magnetospheric convection

The large-scale patterns of ionospheric convection and particle precipitation are described during two intervals of steady magnetospheric convection (SMC) on November 24, 1981. The unique data set used in the analysis includes recordings from the worldwide network of magnetometers and all-sky cameras, global auroral images from the Dynamics Explorer (DE) 1 spacecraft, and particle precipitation data from low-altitude National Oceanic and Atmospheric Administration (NOAA) 6 and NOAA 7 spacecraft. The data show that intense magnetospheric convection continued during more than 10 hours under the steady southward interplanetary magnetic field without any distinct substorm signatures. All data sets available confirmed the stable character of the large-scale magnetospheric configuration during this period. In particular, the magnetic flux threading the polar cap was stable (within 10%) during 3.5 hours of continued DE 1 observations. The dayside cusp was located at an unusually low latitude (70 deg CGL). The nightside auroral pattern consisted of two distinct regions. The diffuse aurora in the equatorward half of the expanded (10 deg wide) auroral oval was well-separated from the bright, active auroral forms found in the vicinity of the poleward boundary of the oval. The twin-vortex convection pattern had no signature of the Harang discontinuity; its nightside 'convection throat' was spatially coincident with the poleward active auroras. This region of the auroral oval was identified as the primary site of the short-lived transient activations during the SMC intervals. The energetic particle observations show that the auroral precipitation up to its high-latitude limit is on closed field lines and that particle acceleration up to greater than 30-keV energy starts close to this limit. The isotropic boundaries of the greater than 30-keV protons and electrons were found close to each other, separating regions of discrete and diffuse precipitation. This suggests that these precipitation types originate on the very taillike and very dipolelike field lines, respectively.

Yahnin, A.↗

Analysis of Automated Transit Network Systems with Battery-Electric Vehicles in Automated Mobility Districts: Preprint

The paper provides an overview of the insights and findings of the National Renewable Energy Laboratory's (NREL) ongoing research on the implementation of automated mobility districts (AMDs). AMD is a term coined by NREL to describe a geographically defined district or major activity center located in a dense urban setting with mobility applications provided by automated/autonomous vehicle (AV) systems spanning internal circulation and first-mile/last-mile connections to regional transportation hubs. Research over the past five years has focused on understanding the evolution of AMDs, beginning with demonstrations of automated shuttles prior to the pandemic, to more integrated on-demand mobility systems currently in initial stages of deployment. Initial insights and findings from earlier studies include the need for designation of a "jurisdiction having authority," a clear vision of a complete system to provide end-to-end mobility services, and the requisite intelligent infrastructure to complement AV technology. NREL's most recent Phase III research investigates station boarding/alighting (curb) issues, the full electrification of fleets, and the need for a systems engineering methodology (SEM) to properly analyze the complexities resulting from the convergence of automation, on-demand mobility, and electrification of the transit systems within the AMD. The paper reviews the findings of AMD research conducted during Phase I, II, and III, with special emphasis on Phase III results with respect to a descriptive example of the proposed SEM when a "digital twin" analytical model is used to simulate the transport fleet's battery-electric vehicle miles of travel and associated duty cycles through a rigorous analytical assessment with a comprehensive modeling process.

ADVANCED PROPULSION SYSTEMS↗

Reduced Order Modeling conditioned on monitored features for response and error bounds estimation in engineered systems

Reduced Order Models (ROMs) form essential tools across engineering domains by virtue of their function as surrogates for computationally intensive digital twinning simulators. Although purely data-driven methods are available for ROM construction, schemes that allow to retain a portion of the physics tend to enhance the interpretability and generalization of ROMs. However, physics-based techniques can adversely scale when dealing with nonlinear systems that feature parametric dependencies. This study introduces a generative physics-based ROM that is suited for nonlinear systems with parametric dependencies and is additionally able to provide numerical error bounds associated with the respective estimates. A main contribution of this work is the conditioning of these parametric ROMs to features that can be derived from monitoring measurements, feasibly in an online fashion. This is contrary to most existing ROM schemes, which remain restricted to the prescription of the physics-based, and usually a priori unknown, system parameters. Our work utilizes conditional Variational Autoencoders to continuously map the required reduction bases to a feature vector extracted from limited output measurements, while additionally allowing for a probabilistic assessment of the ROM-estimated Quantities of Interest. An auxiliary task using a neural network-based parametrization of suitable probability distributions is introduced to re-establish the link with physical model parameters. We verify the proposed scheme on a series of simulated case studies incorporating effects of geometric and material nonlinearity under parametric dependencies related to system properties and input load characteristics.

Conditional VAEs↗

Drought Indicators Based on Model Assimilated GRACE Terrestrial Water Storage Observations

The Gravity Recovery and Climate Experiment (GRACE) twin satellites observe time variations in Earth's gravity field which yield valuable information about changes in terrestrial water storage (TWS). GRACE is characterized by low spatial (greater than 150,000 square kilometers) and temporal (greater than 10 day) resolution but has the unique ability to sense water stored at all levels (including groundwater) systematically and continuously. The GRACE Data Assimilation System (GRACE-DAS), based on the Catchment Land Surface Model (CLSM) enhances the value of the GRACE water storage data by enabling spatial and temporal downscaling and vertical decomposition into moisture 39 components (i.e. groundwater, soil moisture, snow), which individually are more useful for scientific applications. In this study, GRACE-DAS was applied to North America and GRACE-based drought indicators were developed as part of a larger effort that investigates the possibility of more comprehensive and objective identification of drought conditions by integrating spatially, temporally and vertically disaggregated GRACE data into the U.S. and North American Drought Monitors. Previously, the Drought Monitors lacked objective information on deep soil moisture and groundwater conditions, which are useful indicators of drought. Extensive datasets of groundwater storage from USGS monitoring wells and soil moisture from the Soil Climate Analysis Network (SCAN) were used to assess improvements in the hydrological modeling skill resulting from the assimilation of GRACE TWS data. The results point toward modest, but statistically significant, improvements in the hydrological modeling skill across major parts of the United States, highlighting the potential value of GRACE assimilated water storage field for improving drought detection.

Houborg, Rasmus↗

Understanding Twinning and Deformation in High Entropy Alloys

A combination of high strength and high ductility has been observed in multi-principal element alloys due to twin formation attributed to low stacking fault energy (SFE). In the pursuit of low SFE alloys, a key bottleneck is the lack of understanding of the composition–SFE cor- relations that would guide tailoring SFE via alloy composition. Using density functional theory (DFT), we show that dopant radius, which have been postulated as a key descriptor for SFE in dilute alloys, does not fully explain SFE trends across different host metals. Instead, charge density is a much more central descriptor. It allows us to (1) explain contrasting SFE trends in Ni and Cu host metals due to various dopants in dilute concentrations, (2) explain the large SFE variations observed in the literature even within a given alloy composition due to the nearest neighbor environments in “model” concentrated alloys, and (3) develop a machine learning model that can be used to predict SFEs in multi-elemental alloys. This model opens a possibility to use charge density as a descriptor for predicting SFE in alloys. Furthermore, a descriptor-less machine learning (ML) model based only on charge density images extracted from density functional theory (DFT) is developed to predict stacking fault energies (SFE) in concentrated alloys. The model is based on convolutional neural networks (CNNs) as one of the promising ML techniques for dealing with complex images and data. Identification of correct descriptors is a key bottleneck to develop ML models for predicting materials properties. Often, in most ML models, textbook physical descriptors such as atomic radius, valence charge and electronegativity are used as descriptors which have limitations because these properties change in concentrated alloys when multiple elements are mixed to form a solid solution. We illustrate that, within the scope of DFT, the search for descriptors can be circumvented by electronic charge density, which is the backbone of the Kohn-Sham DFT and describes the system completely. The performance of our model is demonstrated by predicting SFE of concentrated alloys with an RMSE and R2 of 6.18 mJ/m2 and 0.87, respectively, validating the accuracy of the proposed approach.

36 MATERIALS SCIENCE↗

Considering interplay between multiple physical phenomena to elucidate single crystal-like texture, phase transformations, and mechanical behavior of directed energy deposited SS316L

A widespread implementation of large scale additive manufacturing (AM) processes, such as wire arc-directed energy deposition (WA-DED) AM can transform the current manufacturing supply chain networks. Naturally, such implementation requires control of the microstructural attributes, such as texture and phase evolution in the processed alloys. Currently, the texture evolution in fusion-based AM (F-BAM) processes is majorly rationalized by the phenomena occurring only during solidification. However, such rationalization is insufficient for understanding the evolution of primary and secondary crystallographic orientations, and consequently, fails to offer a comprehensive understanding and control of overall texture in F-BAM processed alloys. To this end, we report a single crystal (SX)-like texture in WA-DED processed SS316L for the first time. Furthermore, we assess the physical phenomena that may lead to such unique microstructural evolution during WA-DED AM. Subsequently, using microstructural characterization spanning the build height and thermomechanical simulations we investigate the effect of competitive growth and epitaxial growth occurring during solidification and thermally induced plastic deformation occurring post solidification on the overall texture of WA-DED processed SS316L. A spatial variation in solidification pathway is also established and correlated with variation in undercoolings across the build. Tensile tests revealed a strong orientation dependence of deformation mechanisms with over 110% elongation to failure of specimens deformed along <011>. Such anisotropy is rationalized using Schmid's analysis of dislocation slip and deformation twinning. Importantly, overall, the mechanisms outlined in this work will facilitate an enhanced understanding and subsequent control of texture evolution, solidification behavior and mechanical behavior of WA-DED processed steels.

36 MATERIALS SCIENCE↗

Grand challenges in the digitalisation of wind energy

The availability of large amounts of data is starting to impact how the wind energy community works. From turbine design to plant layout, construction, commissioning, and maintenance and operations, new processes and business models are springing up. This is the process of digitalisation, and it promises improved efficiency and greater insight, ultimately leading to increased energy capture and significant savings for wind plant operators, thus reducing the levelised cost of energy. Digitalisation is also impacting research, where it is both easing and speeding up collaboration, as well as making research results more accessible. This is the basis for innovations that can be taken up by end users. But digitalisation faces barriers. This paper uses a literature survey and the results from an expert elicitation to identify three common industry-wide barriers to the digitalisation of wind energy. Comparison with other networked industries and past and ongoing initiatives to foster digitalisation show that these barriers can only be overcome by wide-reaching strategic efforts, and so we see these as “grand challenges” in the digitalisation of wind energy. They are, first, creating FAIR data frameworks; secondly, connecting people and data to foster innovation; and finally, enabling collaboration and competition between organisations. The grand challenges in the digitalisation of wind energy thus include a mix of technical, cultural, and business aspects that will need collaboration between businesses, academia, and government to solve. Working to mitigate them is the beginning of a dynamic process that will position wind energy as an essential part of a global clean energy future.

17 WIND ENERGY↗