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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 631 records · Page 35

Testing of Novel Application of GOTHIC{sup TM} to Modelling of Hydrogen Distribution in Intermediate Level Waste Storage Facilities - 16499

One of the strategies for treatment of intermediate level waste in the United Kingdom is to retrieve the waste from the legacy storage area, condition in a suitable storage container and then hold on-site in an intermediate level waste store until permanent storage in a geological disposal facility becomes available. During storage, hydrogen may be generated inside the containers at a slow rate by a number of mechanisms. The containers can be equipped with vents that release hydrogen and other gasses into the intermediate level waste store, a building which would be constructed to high standards to minimise ingress of moisture. With the low number of air changes associated with the building design there is the potential for gas to accumulate over time. There is, therefore, a requirement to be able to predict future gas concentrations inside the building over a range of operating conditions to ensure that a safe operating envelope is maintained. The usual approach to this problem is to model the evolution of the hydrogen distribution by use of computational fluid dynamics tools. In a situation where weeks of real time need to be simulated in order to understand the slow build-up of a very small volumetric concentration of hydrogen, the use of computational fluid dynamics is not practicable within the time scales demanded by industry. This paper investigates a new approach to tackling this problem using the thermal hydraulic code GOTHIC{sup TM} (GOTHIC{sup TM} incorporates technology developed for the electric power industry under the sponsorship of EPRI, the Electric Power Research Institute). (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Leakage Risk Assessment of CO{sub 2} Transportation by Pipeline at the Illinois Basin Decatur Project, Decatur, Illinois

The Illinois Basin Decatur Project (IBDP) is designed to confirm the ability of the Mt. Simon Sandstone, a major regional saline-water-bearing formation in the Illinois Basin, to store 1 million tons of carbon dioxide (CO{sub 2}) injected over a period of three years. The CO{sub 2} will be provided by Archer Daniels Midland (ADM) from its Decatur, Illinois, ethanol plant. In order to transport CO{sub 2} from the capture facility to the injection well (also located within the ADM plant boundaries), a high-pressure pipeline of length 3,200 ft (975 m) has been constructed, running above the ground surface within the ADM plant footprint. We have qualitatively evaluated risks associated with possible pipeline failure scenarios that lead to discharge of CO{sub 2} within the real-world environment of the ADM plant in which there are often workers and visitors in the vicinity of the pipeline. There are several aspects of CO{sub 2} that make its transportation and potential leakage somewhat different from other substances, most notable is its non-flammability and propensity to change to solid (dry ice) upon strong decompression. In this study, we present numerical simulations using Computational Fluid Dynamics (CFD) methods of the release and dispersion of CO{sub 2} from individual hypothetical pipeline failures (i.e., leaks). Failure frequency of the various components of a pipeline transportation system over time are taken from prior work on general pipeline safety and leakage modeling and suggest a 4.65% chance of some kind of pipeline failure over the three-years of operation. Following the Precautionary Principle (see below), we accounted for full-bore leakage scenarios, where the temporal evolution of the mass release rate from the high-pressure pipeline leak locations was simulated using a state-of-the-art Pipe model which considers the thermodynamic effects of decompression in the entire pipeline. Failures have been simulated at four representative locations along the pipeline route within the ADM plant. Leakage scenarios at sites along the route of the pipeline, where plant operations (e.g., vehicular and train transportation) seem to present a higher likelihood of accidental failure, for example due to vehicles or equipment crashing into the pipeline and completely severing it, were modeled by allowing them to have a double source consistent with the pipeline releasing high-pressure CO{sub 2} from both ends of the broken pipe after a full-bore offset rupture. Simulation results show that the built environment of the plant plays a significant role in the dispersion of the gas as leaking CO{sub 2} can impinge upon buildings and other infrastructure. In all scenarios simulated, the region of very high-concentration of CO{sub 2} is limited to a small area around the pipeline failure, suggesting the likelihood of widespread harmful CO{sub 2} exposure to plant personnel from pipeline leakage is low. An additional risk is posed by the blast wave that emanates from a high-pressure pipeline when it is breached quickly. We estimate the blast wave risk as low because it occurs only for a short time in the immediate vicinity of the rupture, and requires an instantaneous large-scale rupture to occur. We recommend consideration of signage and guard rails and posts to mitigate the likelihood of vehicles crashing into the pipeline. A standardized emergency response plan applicable to capture plants within industrial sites could be developed based on the IBDP that would be useful for other capture plants. Finally, we recommend carrying out coupled wellbore-reservoir blowout scenario modeling to understand the potential for hazardous conditions arising from an unexpected blowout at the wellhead.

54 ENVIRONMENTAL SCIENCES↗

Well–based monitoring of CO 2 geological sequestration operations in saline aquifers: Critical insights into key questions

Geological carbon sequestration in saline aquifers is one of the most promising strategies to help mitigate emissions of CO 2 to the atmosphere. Significant challenges in ensuring the security of the sequestration process rest in the evolution and expansion of the CO 2 plume in the subsurface. The ability to track the movement of the injected CO 2 poses another challenge. Critical questions related to the integrity of the sequestration operations in saline aquifers relate to plume characteristics that can we monitor using well-based variables. We addressed this and related questions using an integrated modeling framework through a numerical investigation of carbon sequestration in saline aquifers during long-term and post-injection periods. This modeling paradigm incorporates the effect of structural, geological, and petrophysical characteristics. That way, we can account for critical physicochemical processes, rock-fluid interactions, and lithology dependencies. The well fluid variables investigated include fluid composition, pH, fluid density, and ion activity. We learned that fluid property analytics and diagnostics can be powerful tools to estimate the movement of CO 2 and its storage in different trapping mechanisms. These analytics can help optimize operational aspects and simplify reservoir-scale models while still reflecting the complex nature of the CO 2 interactions underground and offering insights into plume evolution.

58 GEOSCIENCES↗

A deep learning-based direct forecasting of CO 2 plume migration

Accurate and timely forecasts of CO 2 plume evolution in geological reservoirs are crucial for CO 2 migration detection, leakage risk assessment, and operation decision support. Conventional forecasting usually adopts a two-step strategy, first calibrating reservoir model parameters against observations using iterative inverse modeling (or history matching) and then applying the calibrated model for predictions. This method impedes real-time forecasts due to the heavy computational demand in inverse modeling and may suffer from poor prediction accuracy because of the limited observation data. In this work, we propose a deep learning-based latent space mapping framework to forecast CO 2 plume migration directly by avoiding the inverse modeling. We first use the convolutional autoencoder to map the high-dimensional complex plume extents onto low-dimensional latent space. Next, we use neural networks to learn the relationship between the observation variables and the prediction latent variables. And then for given observation data, we infer the prediction values directly. This one-step direct forecasting is computationally efficient which requires a few number of parallelizable reservoir simulations and it can provide accurate predictions with limited observations by learning the observation-prediction relationship in the reduced dimension. Therefore, our proposed method enables an in-time forecast of dynamic CO 2 plume distributions. In this work, we demonstrate the effectiveness and accuracy of our method in predicting the CO 2 plume migration using four metrics such as plume area, centroid movement distance, and plume spreading in the primary and secondary directions. And the spatio-temporal evolution patterns of plume migration under diverse geological complexities are also accurately quantified.

15 GEOTHERMAL ENERGY↗

Resolving turbulent magnetohydrodynamics: a hybrid operator-diffusion framework

We present a hybrid machine learning framework that combines physics-informed neural operators (PINOs) with score-based generative diffusion models to simulate the full spatio-temporal evolution of two-dimensional, incompressible, resistive magnetohydrodynamic turbulence across a broad range of Reynolds numbers (Re). The framework leverages the equation-constrained generalization capabilities of PINOs to predict coherent, low-frequency dynamics, while a conditional diffusion model stochastically corrects high-frequency residuals, enabling accurate modeling of fully developed turbulence. Trained on a comprehensive ensemble of high-fidelity simulations with Re ϵ {100, 250, 500, 750, 1000, 3000, 10000}, the approach achieves state-of-the-art accuracy in regimes previously inaccessible to deterministic surrogates. At Re = 1000 and 3000, the model faithfully reconstructs the full spectral energy distributions of both velocity and magnetic fields late into the simulation, capturing non-Gaussian statistics, intermittent structures, and cross-field correlations with high fidelity. At extreme turbulence levels (Re = 10 000), it remains the first surrogate capable of recovering the high-wavenumber evolution of the magnetic field, preserving large-scale morphology and enabling statistically meaningful predictions.

Diffusion-Integrated Neural Operators↗

Coupled neutronics, thermochemistry, corrosion modeling and sensitivity analyses for isotopic evolution in molten salt reactors

This study presents a computational methodology for analyzing isotopic evolution and associated uncertainties in molten salt reactors (MSRs), focusing on both fluoride- and chloride-based fuel salts. The primary goal is to enhance the understanding of isotopic behavior in MSRs and provide data to support future experimental efforts. The methodology integrates transport-coupled depletion calculations using OpenMC, equilibrium thermodynamics modeling with Thermochimica, and a corrosion model. Sensitivity analyses are performed to evaluate the impact of power density, air ingress, and humidity content on isotopic evolution in MSR concepts. This study examines representative F- and Cl-based MSR designs, highlighting the dominant influence of power density on isotopic composition, which significantly affects isotope production and depletion rates, accounting for approximately 76% of the observed variance in element concentration. Air ingress and humidity content also affect the redox potential, solubility of heavier elements, and corrosion rates, thereby altering the expected isotopic evolution in the reactor. On average, air ingress accounts for around 17% of the variance in element concentrations, while humidity explains the remaining 7%. These variances differ significantly from element to element, depending on the element’s role in depletion, redox potential evolution, and galvanic corrosion. The findings indicate that power density, air ingress, and humidity content are all critical factors for optimizing reactor design and operational strategies. Furthermore, the study provides expected ranges for key impurities in the fuel salt, which are crucial for guiding future experimental studies and refining MSR designs. Finally, this study demonstrates the importance of modeling depletion coupled with the evolution of redox potential and chemical interactions in MSR fuel salts.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Addressing challenges for operating electrochemical solar fuels technologies under variable and diurnal conditions

The outdoor operation of electrochemical solar fuels devices must contend with challenges presented by the cycles of solar irradiance, temperature, and other meteorological factors. Herein, we discuss challenges associated with these fluctuations presented over three timescales, including the effects of diurnal cycling over the course of many days, a single diurnal cycle over the course of hours, and meteorological phenomena that cause fluctuations on the order of seconds to minutes. We also highlight both reaction-independent and reaction-specific effects of variable conditions for the hydrogen evolution reaction and CO 2 reduction reaction. We identify key areas of research for advancing the outdoor operation of solar fuels technology and highlight the need for metrics and benchmarks to enable the comparison of diurnal studies across systems and geographical locations.

08 HYDROGEN↗

Online Monitoring System for Performance Fault Detection

To achieve the exaFLOPS performance within a contain power budget, next supercomputers will feature hundreds of millions of components operating at low- and near-threshold voltage. As the probability that at least one of these components fails during the execution of an application approaches certainty, it seems unrealistic to expect that any run of a scientific application will not experience some performance faults. We believe that there is need of a new generation of light-weight performance and debugging tools that can be used online even during production runs of parallel applications and that can identify performance anomalies during the application execution. In this work we propose the design and implementation of a monitoring system that continuously inspects the evolution of run

HPC↗

KRUSTY Reactor Design

The Kilowatt Reactor Using Stirling TechnologY (KRUSTY) was a reactor design, development, and test program to demonstrate the nuclear operation of a Kilopower reactor. Kilopower systems are intended to provide between 1 and 10 kW(electric) in space, or on the surface of planets or moons, with a clear evolution to substantially higher power systems. KRUSTY was a prototype of a 1-kW(electric) highly enriched uranium–fueled Kilopower system. In March of 2018, KRUSTY successfully operated as a fission power system and was the first nuclear-powered operation of any truly new reactor concept in the United States in over 40 years. This paper discusses the design of the KRUSTY reactor along with the philosophy, goals, and engineering work that ultimately led to KRUSTY’s success.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Time-resolved turbulent dynamo in a laser plasma

Understanding magnetic-field generation and amplification in turbulent plasma is essential to account for observations of magnetic fields in the universe. A theoretical framework attributing the origin and sustainment of these fields to the so-called fluctuation dynamo was recently validated by experiments on laser facilities in low-magnetic-Prandtl-number plasmas (Pm < 1). However, the same framework proposes that the fluctuation dynamo should operate differently when Pm ≳ 1, the regime relevant to many astrophysical environments such as the intracluster medium of galaxy clusters. This paper reports an experiment that creates a laboratory Pm ≳ 1 plasma dynamo. We provide a time-resolved characterization of the plasma’s evolution, measuring temperatures, densities, flow velocities, and magnetic fields, which allows us to explore various stages of the fluctuation dynamo’s operation on seed magnetic fields generated by the action of the Biermann-battery mechanism during the initial drive-laser target interaction. The magnetic energy in structures with characteristic scales close to the driving scale of the stochastic motions is found to increase by almost three orders of magnitude and saturate dynamically. It is shown that the initial growth of these fields occurs at a much greater rate than the turnover rate of the driving-scale stochastic motions. Here, our results point to the possibility that plasma turbulence produced by strong shear can generate fields more efficiently at the driving scale than anticipated by idealized magnetohydrodynamics (MHD) simulations of the nonhelical fluctuation dynamo; this finding could help explain the large-scale fields inferred from observations of astrophysical systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Time-resolved turbulent dynamo in a laser plasma

Understanding magnetic-field generation and amplification in turbulent plasma is essential to account for observations of magnetic fields in the universe. A theoretical framework attributing the origin and sustainment of these fields to the so-called fluctuation dynamo was recently validated by experiments on laser facilities in low-magnetic-Prandtl-number plasmas (Pm<1). However, the same framework proposes that the fluctuation dynamo should operate differently when Pm≳1, the regime relevant to many astrophysical environments such as the intracluster medium of galaxy clusters. This paper reports an experiment that creates a laboratory Pm≳1 plasma dynamo. We provide a time-resolved characterization of the plasma’s evolution, measuring temperatures, densities, flow velocities, and magnetic fields, which allows us to explore various stages of the fluctuation dynamo’s operation on seed magnetic fields generated by the action of the Biermann-battery mechanism during the initial drive-laser target interaction. The magnetic energy in structures with characteristic scales close to the driving scale of the stochastic motions is found to increase by almost three orders of magnitude and saturate dynamically. It is shown that the initial growth of these fields occurs at a much greater rate than the turnover rate of the driving-scale stochastic motions. Our results point to the possibility that plasma turbulence produced by strong shear can generate fields more efficiently at the driving scale than anticipated by idealized magnetohydrodynamics (MHD) simulations of the nonhelical fluctuation dynamo; this finding could help explain the large-scale fields inferred from observations of astrophysical systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Strategies for simulating the time evolution of Hamiltonian lattice field theories

Simulating the time evolution of quantum field theories given some Hamiltonian H requires developing algorithms for implementing the unitary operator e -iHt . A variety of techniques exist that accomplish this task, with the most common technique used so far being Trotterization, which is a special case of the application of a product formula. However, other techniques exist that promise better asymptotic scaling in certain parameters of the theory being simulated, the most efficient of which are based on the concept of block encoding. In this work we study the performance of such algorithms in simulating lattice field theories. We derive and compare the asymptotic gate complexities of several commonly used simulation techniques in application to Hamiltonian lattice field theories. Using the scalar $\hat{φ}$ 4 theory as a test, we also perform numerical studies and compare the gate costs required by product formulas and signal-processing-based techniques to simulate time evolution. For the latter, we use the linear combination of unitaries (LCU) construction augmented with the quantum Fourier transform circuit to switch between the field and momentum eigenbases, which leads to immediate order-of-magnitude improvement in the cost of preparing the block encoding. Further, this paper also includes a pedagogical review of the techniques used, in particular product formulas, LCU, qubitization, quantum signal processing, as well as the technique for simulating geometrically-local Hamiltonians developed by Haah, Hastings, Kothari, and Low.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

In Situ EXAFS Study of Mo–P Bond Dynamics in Molybdenum Phosphide during CO 2 Reduction and Hydrogen Evolution

Transition Metal Phosphides (TMPs) are widely studied as catalysts in reactions like hydrogen evolution, oxygen reduction, and hydrodesulfurization. TMPs have demonstrated remarkable efficiency in accelerating reactions by providing active sites for adsorption and facilitating the transformation of reaction intermediates, a feature that has increased the interest of TMPs in the electrochemical carbon dioxide reduction reaction (eCO 2 RR). Despite their growing use, the potential-dependent structural behavior of TMPs under operating electrochemical conditions remains insufficiently understood. This work investigates the dynamics of the Mo−P bond during eCO 2 RR and hydrogen evolution reaction (HER) using in situ extended X-ray absorption spectroscopy (EXAFS) studies at the Mo−K edge. Structural characterization of the synthesized MoP nanoparticles was performed by powder X-ray diffraction (XRD) and transmission electron microscopy (TEM). Results of the overall electrochemical activity of MoP are presented through linear sweep voltammetry (LSV) experiments in the potential range of 0 to −1.5 V versus Ag/AgCl and chronoamperometry (CA). Liquid products were analyzed by 1 H NMR spectroscopy. The synthesized catalyst showed increasing activity with the highest Faradaic efficiency of 11.75% for C 2+ products at −1.3 V vs Ag/AgCl. In situ EXAFS revealed a change in the average Mo−P bond distance during eCO 2 RR, whereas no such change was observed during the hydrogen evolution reaction (HER). This finding suggests that phosphorus, particularly through modulation of the Mo−P bond length, plays an important role in the eCO 2 RR and demonstrates how in situ EXAFS can track local structural perturbations in MoP catalysts during electrochemical operation, providing complementary structural insight that correlates with electrochemical behavior.

Catalysts↗

The porosity surrounding carbides and second phase stringers in monolithic U-10Mo fuel plate after irradiation

Post-irradiation microstructure characterization plays an important role in qualifying the low-enriched uranium (LEU) monolithic U-10 wt%Mo plate-type fuel for United States high-performance research reactors (USHPRRs) program. Inhomogeneous features resulting from manufacturing and irradiation processes, including carbides, second phase stringers, and extensive void spaces caused by the combining of small porosities, may increase the risk of heat concentration in local regions of the fuel plate over the operating conditions. In this study, characteristics of carbides, stringers, and porosity after multiple levels of irradiation at varying fission densities were studied by electron microscopes to decipher the morphology of pores and the porosity evolution in U-10 wt%Mo. For carbides, the result shows that porosities start forming on UMo grain boundaries, then on UMo/carbides interfaces as the burn-up going higher. However, the porosities surrounding carbides grow larger than the ones on UMo grain boundaries. The porosities around the uranium carbides could interconnect to form larger void space. The study revealed that the void spaces larger than 5 µm were found around uranium carbides after high burnup, while no evidence was observed to support the similar voids formed near second phase stringers even though the size of the stringers (> 50 µm) was much larger than uranium carbides (< 20 µm). The evolution of porosities suggests that the formation of second phase stringers may not create more significant porosities compared to regular uranium carbides regions during fuel operating conditions.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

SU-E-J-182: A Feasibility Study Evaluating Automatic Identification of Gross Tumor Volume for Breast Cancer Radiotherapy Using Dynamic Contrast-Enhanced MR Imaging

Purpose: To develop a computerized pharmacokinetic model-free Gross Tumor Volume (GTV) segmentation method based on dynamic contrastenhanced MRI (DCE-MRI) data that can improve physician GTV contouring efficiency. Methods: 12 patients with biopsy-proven early stage breast cancer with post-contrast enhanced DCE-MRI images were analyzed in this study. A fuzzy c-means (FCM) clustering-based method was applied to segment 3D GTV from pre-operative DCE-MRI data. A region of interest (ROI) is selected by a clinician/physicist, and the normalized signal evolution curves were calculated by dividing the signal intensity enhancement value at each voxel by the pre-contrast signal intensity value at the corresponding voxel. Three semi-quantitative metrics were analyzed based on normalized signal evolution curves: initial Area Under signal evolution Curve (iAUC), Immediate Enhancement Ratio (IER), and Variance of Enhancement Slope (VES). The FCM algorithm wass applied to partition ROI voxels into GTV voxels and non-GTV voxels by using three analyzed metrics. The partition map for the smaller cluster is then generated and binarized with an automatically calculated threshold. To reduce spurious structures resulting from background, a labeling operation was performed to keep the largest three-dimensional connected component as the identified target. Basic morphological operations including hole-filling and spur removal were useutilized to improve the target smoothness. Each segmented GTV was compared to that drawn by experienced radiation oncologists. An agreement index was proposed to quantify the overlap between the GTVs identified using two approaches and a thershold value of 0.4 is regarded as acceptable. Results: The GTVs identified by the proposed method were overlapped with the ones drawn by radiation oncologists in all cases, and in 10 out of 12 cases, the agreement indices were above the threshold of 0.4. Conclusion: The proposed automatic segmentation method was shown to be promising and might be used to improve physician contouring efficiency. J Horton receives grant from NIH and Varian Medical Systems; F-F Yin receives grant from Varian Medical Systems.

60 APPLIED LIFE SCIENCES↗

Degrade-Repair Cycle of a Fuel-Forming Photoelectrode

Artificial leaves that produce fuels using sunlight hold promise for sustainably powering the planet, but they require advance- ments in energetic efficiency, cost effectiveness, and operational durability. Herein, we showcase the application of combined surface- sensitive spectroscopic techniques to durability studies that characterize structural changes accompanying functional degradation and go beyond just observing changes in function over time. Further, the photoelectrodes used in this work feature a polymeric surface coating functionalized with molecular complexes that catalyze the hydrogen evolution reaction. Using a polymeric layer to interface the light-harvesting component with catalytic sites enables reassembly of catalysts that detach during operation, establishing a degrade-repair cycle.

14 SOLAR ENERGY↗

Evolution of the Data Quality Monitoring and Prompt Processing System in the proto DUNE-SP experiment

The DUNE Collaboration currently operates an experimental program based at CERN which includes a beam test and an extended cosmic ray run of two large-scale prototypes of the massive Liquid Argon Time Projection Chamber (LArTPC) for the DUNE Far Detector. The volume of data collected by the single-phase prototype (protoDUNE-SP) amounts to 3PB and the sustained rate of data sent to mass storage is O(100) MB/s. Data Quality Monitoring was implemented by directing a fraction of the data stream to the protoDUNE prompt processing system (p3s) which is optimized for continuous low-latency calculation of the vital detector metrics and various graphics including event displays. It served a crucial role throughout the life cycle of the experiment. We present our experience in leveraging the CERN computing environment and operating the system over an extended period of time, while adapting to evolving requirements and computing platform.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Use of Operating Agreements and Energy Storage to Reduce Photovoltaic Interconnection Costs: Technical and Economic Analysis

This report presents an analytical methodology to identify alternative options to manage interconnection costs and streamline interconnection timelines for distribution system-connected photovoltaic (PV) systems not co-located with load. Specifically, the report details the methodology and results of an analysis that: 1. Identifies potential grid violations that would be induced by a PV system requesting interconnection to a distribution circuit; 2. Identifies multiple technically viable options for mitigating the potential violations, including infrastructure upgrades, downsizing the PV system size, curtailment of PV, and addition of battery energy storage; 3. Defines the required technical operating parameters of the system in order to mitigate all potential violations (the "Operating Envelope"); 4. Compares the economics of each option, from the PV developer's perspective. The analysis supports the ongoing evolution of interconnection standards for combined PV and energy storage systems by providing a methodology to define allowable maximum export limits during each hour. The methodology presented could be used by utilities as part of the interconnection study process, to inform negotiations with DER developers and the drafting of mutually acceptable interconnection agreements. The resulting technical operating parameters could be included as part of the interconnection service agreement (ISA) between the system owner and the utility company. The companion report to this analysis, Gill et al. (2022), details the envisioned framework for the implementation of the technical operating parameters.

14 SOLAR ENERGY↗