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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 361 records · Page 20

ARPA-E Grid Optimization (GO) Competition Challenge 3

Synthetic Input Data and Team Results for the GO Competition Challenge 3 for Events 1 - 4 and the Sandbox, along with problem and format descriptions and code to validate data and solutions, are available here. Data for industry scenarios will not be made public. The Grid Optimization (GO) Competition Challenge 3 focused on the security-constrained optimal power flow (SCOPF) problem. It is part of a continuing effort begun with Challenges 1 and 2, to successfully discover, develop, and test innovative and disruptive software solutions for critical energy challenges and to overcome existing barriers. The broader goal of the of the GO Competition is to accelerate the development of transformational and disruptive methods for solving problems related to the electric power grid and to provide a transparent, fair, and comprehensive evaluation of new solution methods. Challenge 3 used multiperiod dynamic markets, including advisory models for extreme weather events, day-ahead markets, and the real-time markets with an extended look-ahead. In Event 4, whose submission window was August 31-September 4, 2023, 14 teams solved for the objective values of 669 scenarios (39 scenarios required solutions both with and without line switching being allowed). The 591 synthetic scenarios from 9 network models (3.6 GB) are available here. Ten teams were funded to participate and 7 won prizes totaling $2,400,000. The largest prize ($550,000) went to Mississippi State University. An additional $600,000 was awarded in Event 3 (6/15-16/2023). No prizes were awarded in Events 1 (1/25-27/2023) or 2 (4/13-14/2023). For more information on the competition and challenge see the "GO Competition Challenge 3 Information" resource below.

ACOPF↗

Applying queueing theory to evaluate wait-time-savings of triage algorithms

Abstract In the past decade, artificial intelligence (AI) algorithms have made promising impacts in many areas of healthcare. One application is AI-enabled prioritization software known as computer-aided triage and notification (CADt). This type of software as a medical device is intended to prioritize reviews of radiological images with time-sensitive findings, thus shortening the waiting time for patients with these findings. While many CADt devices have been deployed into clinical workflows and have been shown to improve patient treatment and clinical outcomes, quantitative methods to evaluate the wait-time-savings from their deployment are not yet available. In this paper, we apply queueing theory methods to evaluate the wait-time-savings of a CADt by calculating the average waiting time per patient image without and with a CADt device being deployed. We study two workflow models with one or multiple radiologists (servers) for a range of AI diagnostic performances, radiologist’s reading rates, and patient image (customer) arrival rates. To evaluate the time-saving performance of a CADt, we use the difference in the mean waiting time between the diseased patient images in the with-CADt scenario and that in the without-CADt scenario as our performance metric. As part of this effort, we have developed and also share a software tool to simulate the radiology workflow around medical image interpretation, to verify theoretical results, and to provide confidence intervals for the performance metric we defined. We show quantitatively that a CADt triage device is more effective in a busy, short-staffed reading setting, which is consistent with our clinical intuition and simulation results. Although this work is motivated by the need for evaluating CADt devices, the evaluation methodology presented in this paper can be applied to assess the time-saving performance of other types of algorithms that prioritize a subset of customers based on binary outputs.

Thompson, Yee Lam Elim (ORCID:0000000196537707)↗

NFPA Distributed Energy Resources Safety Training (DERST) For Emergency Responders

The National Fire Protection Association, with support from the Department of Energy, executed a multi-year initiative to develop, enhance, and disseminate Distributed Energy Resources Safety Training (DERST) tools for U.S. emergency responders. As Distributed Energy Resources (DER)—such as solar photovoltaics, battery energy storage systems (ESS), electric vehicles (EVs), and associated infrastructure—become increasingly prevalent, the NFPA identified a critical need for up-to-date standardized, accessible, and effective safety training tailored for the fire service and related public safety professionals. The project delivered a comprehensive suite of educational resources to improve responders’ abilities to safely manage DER-related incidents. This included: • Revised Modular Training Courses: Updated classroom-based DER safety courses, now modular and accessible nationwide through fire academies and the North American Fire Training Directors (NAFTD) network. • Live Burn Testing & Research: A full-scale controlled burn of a DER-equipped residential structure provided real-world data and insights, forming the basis for updated best practices. • A Gamified Simulation Tool – Firefighters Incident Response Simulation Tool (FIRST): A first-of-its-kind, multiplayer, scenario-based simulation using the Unreal Engine 5.0 to train responders in a realistic virtual, multi-DER incident environment. • Field Familiarization Software Tools & Prop Guide: Digital DER field familiarization evolutions software guide and a prop development manual to support field-based DER training exercises, enhancing responders' hands-on familiarity with DER infrastructure and collaboration on virtual incident responses. • National Dissemination Strategy: Strategic partnerships with NAFTD, Vector Solutions, and others enabled wide-scale distribution, with over 5,000 departments accessing resources and 1,100+ departments adopting the simulator in the first seven months. Also provided a web portal for easy access to all training and simulation programs developed under this grant for the U.S. responder community. Key findings from the project—particularly from the burn test—led to paradigm shifts in fire response tactics. For example, traditional approaches to garage fires may be hazardous if DERs are present, due to explosive off gassing and thermal runaway risks. The new training emphasizes scene assessment, stand-off approaches, thermal imaging verification, and careful post-incident cooling of DER components to prevent reignition. This initiative has had a significant national impact, raising awareness, enhancing preparedness, and supporting safer DER incident response practices. Significant engagement from the media, public safety organizations, and PBS coverage has further amplified the reach and adoption of NFPA’s DER safety training, tools, and simulations.

14 SOLAR ENERGY↗

Development and Experimental Optimization of High-Temperature Modeling Tools and Methods for Concentrated Solar Power Particle - Systems

A novel, open-source radiative modeling toolset was developed to extend the functionality of particle-based modeling software (e.g. discrete element method (DEM)) to environmental conditions relevant to concentrated solar power applications. This toolset was optimized for deployment on desktop workstations instead of high-performance computing systems, to render such tools more accessible to the research community. Both particle-based modeling and radiative exchange modeling are computationally expensive and often require specialized programming expertise, making these methods cumbersome to use. Recent developments in DEM software by DCS Computing have greatly reduced these challenges, providing a graphical-user-interface based platform and modeling optimization for desktop workstations, HPCs, and cloud computing. The University of Dayton leveraged the experience of DCS Computing in developing a user-friendly, open-source radiative heat transfer expansion for DEM modeling. The University of Dayton DEM+ radiative modeling toolset was developed using a combination of fundamental experimental measurements, modeling, and simplified flow experiments over a range of temperatures and flow conditions. The toolset provides researchers with access to multiple radiative models including an accelerated Monte-Carlo Ray Tracing (application agnostic, highly computationally expensive), an expanded database of distance-based approximations (application limited, computationally light), and a weighted blending of the two methods capable of achieving over 90% reduction in computation time with equivalent accuracy compared to Monte-Carlo Ray Tracing. Through a graphical user interface, users can customize the radiative models to match their desired accuracy and available computational resources, improving access to particle based modeling for the research community. Ceramic sintered bauxite proppants were used in modeling and experimentally as a baseline. Both the radiative heat transfer and flow properties for particulate systems were investigated at elevated temperatures up to 800 °C. The major accomplishments for this work include a verified, open-source radiative modeling toolset to be distributed amongst the research community and the fabrication of three small-scale test facilities to investigate particle behavior and tune DEM flow properties for operation up to 800 °C. The findings have been shared with the research community via conference modeling workshops, deployment of the tools in DCS Computing Aspherix®, and open-source access to the developed radiative modeling tool. The development of next-generation CSP facilities and thermal energy storage systems based on ceramic particles requires providing access to computationally efficient and accurate modeling tools. Particles will experience a wide range of environments (20-800 °C) and handling conditions (dilute curtains or dense packing), requiring specially designed and optimized equipment. Optimizing solid particle physics models and establishing best-practices for particle modeling in CSP environments will assist researchers with designing optimized equipment, accelerating the deployment of more economically-competitive CSP facilities.

14 SOLAR ENERGY↗

Solar Prize Round 5 Software Track: Abbreviated Final Technical Report

Solar Prize Round 5 launched two simultaneous tracks, the Hardware Track and the Software Track, to introduce software innovations into the Solar Prize for the first time. The primary goal of the prize is to accelerate the development, validation, and commercialization of innovative solar software solutions that will increase the competitiveness of the U.S. solar industry. This is accomplished with three escalating challenges, called the Ready!, Set!, and Go! Contests, where teams work to develop their concept from idea to potentially marketable product in less than one year. Competitors also have the option to compete in a Justice, Equity, Diversity, and Inclusion (JEDI) Contest, which recognizes solutions that enable underserved communities in the United States to overcome systemic solar barriers and share equitably in the societal benefits of solar deployment. The Prize concluded by awarding 2 final winners the Go! Contest prize and a 3rd winner to the JEDI Contest prize in the Software Track, after competing in the prize for a year and demonstrating their success through each phase.

14 SOLAR ENERGY↗

Multi-Rigor Agile Verification and Rapid Prototyping for Formally Verified Software

We propose a novel approach to developing formally verified systems through Multi-rigor Agile Verification. Multi-rigor Agile Verification is rooted in the hypothesis of Rigor Independence, that a system’s specification and verification architecture depend primarily on the system requirements to be verified, and they depend very little on the rigor level of the methods used to verify those requirements. Due to its iterative nature, Multi-rigor Agile Verification promises to mitigate many of the high upfront design costs experienced by formally verified systems and to deliver a better-architected, and thus better-trusted, system in the end. We then discuss the tooling needed to perform Multi-rigor Agile Verification and go in depth to build one of those tools, which directly generates executable prototype code from declarative formal specifications using the Maude rewrite-logic framework.

97 MATHEMATICS AND COMPUTING↗

Model-based optimization strategies for direct hydrogenation of carbon dioxide to dimethyl ether

Here, this study discusses model-based optimization strategies for CO 2 hydrogenation to dimethyl ether (DME) over aCuZnZr (CZZ) and ferrite (FER) mixed catalyst system in a packed-bed reactor configuration. A two-dimensional axisymmetric, nonisothermal packed-bed reactor model was developed using COMSOL Multiphysics 6.2 software. The model solves two-dimensional (radial and axial) heat and mass transport equations in the packed-bed and integrates intraparticle diffusion and heat transfer in a 1D approach. This powerful feature differs from a traditional porous media approach and takes into account any heat and mass transfer limitations that may exist. Analysis shows that the heat transfer limitations are negligible, but strong internal mass transfer limitations were observed at 10 ≤ WHSV ≤ 90 h -1 on the FER catalyst and at 240 °C. The optimum catalyst composition (i.e., mixing ratio) varies depending on the operating regime. The FER catalyst weight in the mixture can be as low as 5 wt.%, but the ideal composition de-pends on the internal mass transfer limitation and its relationship with the operating regime (i.e., weight hourly space velocity, temperature). A catalyst composition of 80 wt.% CZZ and 20 wt.% FER was suggested; this composition can provide high CO 2 conversion and DME production rates at a wide range of temperatures and flow rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

MaterialsMap: A CALPHAD-based tool to design composition pathways through feasibility map for desired dissimilar materials, demonstrated with resistance spot welding joining of Ag-Al-Cu

Assembly of dissimilar metals can be achieved by different methods, for example, casting, welding, and additive manufacturing (AM). However, undesired phases formed in liquid-phase assembling processes due to solute segregation during solidification diminish mechanical and other properties of the processed parts. In the present work, an open-source software named MaterialsMap, has been developed based on the CALculation of Phase Diagrams (CALPHAD) approach. The primary objective of MaterialsMap is to facilitate the design of an optimal composition pathway for assembling dissimilar alloys with liquid-phases based on the formation of desired and undesired phases along the pathway. In MaterialsMap, equilibrium thermodynamic calculations are used to predict equilibrium phases formed at slow cooling rate, while Scheil-Gulliver simulations are employed to predict non-equilibrium phases formed during rapid cooling. Additionally, by combining these two simulations, MaterialsMap offers a thorough guide for understanding phase formation in various manufacturing processes, assisting users in making informed decisions during material selection and production. As a demonstration of this approach, a compositional pathway was designed from pure Al to pure Cu through Ag using MaterialsMap. The design was experimentally verified using resistance spot welding (RSW).

36 MATERIALS SCIENCE↗

A Reactor Scale-Up Methodology from Lab-Scale to Pilot-Scale Operations: Numerical Modeling of THFA Dehydration to DHP in Packed-Bed Reactors

This manuscript discusses developing a model-based scale-up methodology for a successful technology transfer of gas-phase catalytic reactors from a lab-scale to a pilot-scale operation. The manuscript demonstrates the methodology for gas-phase dehydration of tetrahydrofurfuryl alcohol (THFA) to dihydropyran (DHP) process over commercial Al 2 O 3 catalysts. A two-dimensional reactor model was developed using COMSOL Multiphysics 6.1 software. The model solves heat and mass transport equations in bed-scale and particle scales simultaneously. This powerful feature enables accurate prediction of the heat and mass transfer limitations in pilot-scale reactors, if any exists. Further, the model uses isothermal lab-scale experimental data to derive and validate the reaction chemistry, flow fields and boundary conditions. The model was then scaled-up to project conversion, selectivity, yield and formation rate of DHP in a pilot-scale reactor. The results highlight the complex nature of chemistry, heat, and mass transfer effects in lab-scale and pilot-scale reactors. The model results inform the possible operational limitations of the pilot-scale reactor and design strategies to improve process efficiency. Although the scale-up approach is explained through the THFA dehydration process, the methodology is applicable to any catalytic packed-bed reactor models for a successful process scale-up.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Systematic Benchmarking of Climate Models: Methodologies, Applications, and New Directions

As climate models become increasingly complex, there is a growing need to comprehensively and systematically assess model performance with respect to observations. Given the increasing number and diversity of climate model simulations in use, the community has moved beyond simple model intercomparison and toward developing methods capable of benchmarking a large number of simulations against a suite of climate metrics. Here, we present a detailed review of evaluation and benchmarking methods and approaches developed in the last decade, focusing primarily on scientific implications for Coupled Model Intercomparison Project (CMIP) simulations and CMIP6 results that contributed to the Intergovernmental Panel on Climate Change (IPCC) Sixth Assessment Report (AR6). Based on this review, we explain the resulting contemporary philosophy of model benchmarking, and provide clear distinctions and definitions of the terms model verification, process validation, evaluation, and benchmarking. While significant progress has been made in model development based on systematic evaluation and benchmarking efforts, some climate system biases still remain. The development of open‐source community software packages has played a fundamental role in identifying areas of significant model improvement and bias reduction. We review the key features of several software packages that have been commonly used over the past decade to evaluate and benchmark global and regional climate models. Additionally, we discuss best practices for the selection of evaluation and benchmarking metrics and for interpreting the obtained results, the importance of selecting suitable sources of reference data and accurate uncertainty quantification.

Environmental sciences↗

The XMM Cluster Survey: automating the estimation of hydrostatic mass for large samples of galaxy clusters – I. Methodology, validation, and application to the SDSSRM-XCS sample

ABSTRACT We describe features of the X-ray: Generate and Analyse (xga) open-source software package that have been developed to facilitate automated hydrostatic mass ($M_{\rm hydro}$) measurements from XMM X-ray observations of clusters of galaxies. This includes describing how xga measures global, and radial, X-ray properties of galaxy clusters. We then demonstrate the reliability of xga by comparing simple X-ray properties, namely the X-ray temperature and gas mass, with published values presented by the XMM Cluster Survey (XCS), the Ultimate XMM eXtragaLactic survey project (XXL), and the Local Cluster Substructure Survey (LoCuSS). xga measured values for temperature are, on average, within 1 per cent of the values reported in the literature for each sample. xga gas masses for XXL clusters are shown to be ${\sim }$10 per cent lower than previous measurements (though the difference is only significant at the $\sim 1.8\sigma$ level), LoCuSS $R_{2500}$ and $R_{500}$ gas mass re-measurements are 3 per cent and 7 per cent lower, respectively (representing 1.5$\sigma$ and 3.5$\sigma$ differences). Like-for-like comparisons of hydrostatic mass are made to LoCuSS results, which show that our measurements are $10{\pm }3~{{\rm per\ cent}}$ ($19{\pm }7~{{\rm per\ cent}}$) higher for $R_{2500}$ ($R_{500}$). The comparison between $R_{500}$ masses shows significant scatter. Finally, we present new $M_{\rm hydro}$ measurements for 104 clusters from the Sloan Digital Sky Survey (SDSS) DR8 redMaPPer XCS sample (SDSSRM-XCS). Our SDSSRM-XCS hydrostatic mass measurements are in good agreement with multiple literature estimates, and represent one of the largest samples of consistently measured hydrostatic masses. We have demonstrated that xga is a powerful tool for X-ray analysis of clusters; it will render complex-to-measure X-ray properties accessible to non-specialists.

Turner, D. J. (ORCID:0000000196581396)↗

Differentiable vertex fitting for jet flavor tagging

This work explores the use of differentiable programming to integrate domain knowledge, in the form of domain specific software, into neural networks to develop scientific machine learning systems. We propose a differentiable vertex fitting algorithm that estimates the crossing point of multiple curves. In the high energy physics setting, these curves are defined by particle equations of motion and the crossing point represents the origin of particle production. This differentiable vertex fitting algorithm can be seamlessly integrated into neural networks, and we show its utility and efficacy in the high energy physics application of the classification of jets, i.e., collimated streams of particles in particle detectors whose originating parent particle we aim to classify. We demonstrate how differentiable vertex fitting can be integrated into larger transformer-based models for jet flavor tagging and show improvements in heavy flavor jet classification when compared to baseline models. Published by the American Physical Society 2024

Smith, Rachel E. C. (ORCID:0000000335851262)↗

Thermal Analysis of a Polypropylene Capacitor for Resonant Tuning Networks in WPT Applications

This study presents the thermal analysis of polypropylene capacitors operating at high frequencies and high currents used in the resonant tuning networks for electric vehicle (EV) wireless charging systems. The thermal analysis and performance results of the CELEM polypropylene capacitors are presented at different currents for a polyphase wireless power transfer (WPT) system while the study can be expanded to other capacitors by different manufacturers. Thermal equivalent circuit of the capacitor is derived and required cold plate size and design calculations are conducted by modeling the polypropene capacitor in MATLAB. The polypropene capacitor's finite element analysis (FEA) model is developed using COMSOL Multiphysics simulation software, and the thermal characteristics and analysis of the capacitor are presented in this paper.

Aktas, Ahmet↗

THERMAL MODELING OF HANFORD CESIUM AND STRONTIUM CANISTERS DURING SIMULATED LOADING

A computational fluid dynamics (CFD) model was built to simulate planned testing of heater assemblies within a canister and overpack for the Hanford Lead Canister (HLC) project. The HLC is a canister storage system that will contain heaters to simulate the decay heat of nuclear material and provide the canister storage system with environmental conditions equivalent to the operating conditions on a dry storage pad. The HLC will be equipped with long-term data collection and monitoring systems to provide an early warning of corrosion, pitting, cracking, or other signs of canister degradation that might threaten the integrity of the containment boundary over the potentially long term of dry storage. An important part of the HLC development is to make pretest numerical predictions for the behavior of the heated canister during the simulated radiolytic decay heat testing, which simulates the dry storage system during loading operations. The simulated radiolytic decay heat test is planned for mid-2024 in a configuration that includes the heater assembly, overpack, and canister, but with the lids removed to allow loading cesium and strontium capsules into the canister. One of the goals of the test is to evaluate the thermal behavior of the canister and overpack assembly in the ambient air of the test facility, which will provide data critical to validating the thermal models and understanding how the HLC will perform as a system once deployed. To best approximate real-world conditions, the CFD model includes the full air volume of the mock-up truck bay the heated canister test will be performed in, enabling detailed investigation of how the heated canister affects airflow around it. Rigorous pre-deployment testing of the complete HLC cask and canister system is intended to be completed before the HLC is deployed in the 2028 timeframe. This study presents the pre-test temperature predictions of the simulated radiolytic decay heat test. A description of the heater assembly, canister, and overpack system is presented. The model was developed with the commercial CFD software STAR-CCM+. An uncertainty analysis was run with the CFD model to determine the uncertainty in the temperature predictions and provide a range over which the predicted temperatures are expected to vary. The uncertainty analysis was preformed by coupling STAR-CCM+ with the software Dakota, which provides advanced parametric analyses, including quantification of margins and uncertainty with computational models. This work is expected to provide insight into SNF canister behavior.

Carpenter-Graffy, Dina E.↗

Digital Twin for Chemical Science (DTCS) v0.01

Directly visualizing the trajectories of chemistry can unravel novel insights into the behavior of catalysts, gas phase reactions, photo-induced dynamics, and building blocks for quantum information processing. The ability of explicitly identifying, tracking, and tagging the exchange of matter, hence the annihilation and creation of new chemical species, can be best realized through a close coupling of theory and experiment. While the synchrotron-based characterization facilities propelled rapidly in its hardware, providing higher brightness, better resolution, and more precision, the software infrastructure is lagging. We developed DTCS (Digital Twin for Chemical Science) v.01, a central platform that faithfully mimics advanced instrumentations in Scientific User Facilities, by solving a variety of technical challenges in data acquisition, analysis, and model-driven interpretation. Rooted in physics and accelerated by AI, we validated this concept by direct comparison with precise experimental X-ray Photoelectron Spectroscopy (XPS) observations using a ubiquitous metal-water interfacial scenario, i.e., Ag/H2O as our main narrative. The DTCS v.01 input mirrors how the bench chemists work, with the output directly linked to the end station computer, thereby providing a user-friendly, knowledge-driven, and accessible user experience with mechanistic insights standardized in a way that are ready to be published, versioned, and transferred flexibly.

Qian, Jin↗

Bioenergy Research Centers Data Sharing Portal

The bioenergy.org website is the end product of the Data Sharing Shared Research objective for the Bioenergy Centers. The objective is to Enhance BRC data legacy through the development and use of shared software tools to make previously published datasets more findable and accessible through the Inter-BRC Data Products Portal, and to explore the use of generative AI to assist in the exploration of published datasets. The software repository is released per the license information below.

Thrower, Nicholas↗

Prompt-Based Development of Domain-Specific Taxonomies

Framework for interacting with prompt-based LLMs (Large Language Models such as, but not limited to, ChatGPT) in order to develop domain specific taxonomies. The software itself is a series of prompts designed to extract hierarchical taxonomy categories from an LLM, as well as guidelines for how to fine-tune LLMs in order to provide better domain-specific taxonomic categories.

Grundy, Jon [Pacific Northwest National Laboratory↗

Integrate Latimer Controls' Solution into RTAC (CRADA Final Report, CRD-23-24672)

Latimer Controls, Inc. was awarded two vouchers under the Department of Energy's American-Made Solar Prize Round 6 to conduct collaborative research at a national laboratory. The National Renewable Energy Laboratory (NREL) was selected as a partner to assist Latimer Controls in the performance evaluation of its photovoltaic (PV) control software. This collaboration focuses on developing a hardware-in-the-loop (HIL) testbed at NREL, which will be used to test and validate the Latimer PV control technology in a realistic yet de-risked environment. Both Latimer and NREL teams will work together to analyze the collected test data, derive insights, and disseminate the scientific findings. Recent studies underscore the potential of solar energy as a zero-marginal-cost and zero-emission flexibility resource within the bulk power system, particularly when integrated with advanced control systems. To enhance the performance of such systems, Latimer Controls has developed leading-edge technologies, including machine learning (ML) algorithms and hierarchical inverter set-point allocation methods. These innovations are designed to estimate the operational headroom of large PV plants for grid integration and control. However, comprehensive validation under real-world conditions remains necessary. To address this gap, the concurrent CRADA project proposes the real-world application and validation of the Latimer Control solution within a HIL environment. Initially, the Latimer algorithm was developed and tested within MATLAB Simulink, a platform suitable for research-level simulations and iterative development. However, transitioning this technology to a real solar site as an industry-ready solution necessitates implementation in a format compatible with widely used solar power plant controllers. In this additional CRADA work, the MATLAB Simulink-based logic will be translated into Structured Text, a programming language compliant with IEC 61131 standards, which is commonly used for custom logic implementations in industry-leading programmable logic controllers (PLCs), such as the Schweitzer SEL real-time automation controller (RTAC). This transition will facilitate the deployment of the Latimer Control solution in real-world solar power plants, thereby advancing the technology towards commercialization.

14 SOLAR ENERGY↗