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At least 703 records · Page 39

ARM shortwave spectrometers to study the clear-cloud transition zone and mixing processes

The proposed research is a collaborative effort between NASA/Goddard Space Flight Center and the Hebrew University of Jerusalem. While the NASA team focused on analyzing ground-based hyper-spectral radiance observations to understand cloud edge properties and their connection to mixing processes, the Hebrew University team tackled the problem through cloud modeling activities. By approximating the shortwave spectra in the cloud-clear transition zone as a linear combination of purely clear and purely cloudy spectra we can characterize the variations of cloud optical thickness and cloud droplet effective radius in the transition zone. When applying this method to the measurements of a ground-based shortwave spectroradiometer at the ARM’s SGP site, representing continental conditions, and MAGIC field campaign between Log Angeles, California and Honolulu, Hawaii, representing maritime scenarios, we found that cloud optical depth consistently decreases in both cases, but droplet size decreases much more substantially for the continental regime, suggesting different mixing processes for the continental and maritime conditions. The investigation and measurements of radiation clouds were coupled with a unique cloud modeling. A novel spectral bin microphysics was developed and implemented to the System of Atmospheric Modeling (SAM). In order to resolve cloud transition zones with high spatial gradients of microphysical variables a unique high resolution (10 m) was used in simulations. The model calculates droplet size distributions in each grid point. The model output was transferred to the NASA/GSFC team for utilization in radiative calculations and testing of both radiative algorithm and model representation.

54 ENVIRONMENTAL SCIENCES↗

LANL-UW Collaboration on LC-QTOF Datasets (Annual Report)

Prior to the application of non-targeted chemometric techniques (i.e., Fisher ratio analysis), pre-processing steps must be carried out on the data collected using liquid chromatography-quadrupole time of flight (LC-QTOF) mass spectrometry. Data compression is the most important pre-processing step due to the vast number of high-resolution mass channels (m/z; 0.0001 Da) collected. Our first approach was to bin the mass spectral dimension to 0.01 Da; however, this approach was computationally expensive and did not preserve the high-resolution data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Gen 3 Particle Pilot Plant (G3P3) -- High-Temperature Particle System for Concentrating Solar Power (Phases 1 and 2)

The U.S. Department of Energy Solar Energy Technologies Office initiated the Generation 3 Concentrating Solar Power (CSP) program to achieve higher operating temperatures (>700 °C) to enable next-generation CSP high-temperature power cycles such as the supercritical CO 2 (sCO2) Brayton Cycle. Three teams were selected to pursue high-temperature gas, liquid, and solid pathways for the heat-transfer media. Phases 1 and 2, which lasted from 2018 – 2020, consisted of design, modeling, and testing activities to further de-risk each of the technologies and develop a design for construction, commissioning, and operation of a pilot-scale facility in Phase 3 (2021 – 2024). This report summarizes the activities in Phases 1 and 2 for the solid-particle pathway led by Sandia National Laboratories. In Phases 1 and 2, Sandia successfully de-risked key elements of the proposed Gen 3 Particle Pilot Plant (G3P3) by improving the design, operation, and performance of key particle component technologies including the receiver, storage bins, particle-to-sCO2 heat exchanger, particle lift, and data acquisition and controls. Modeling and testing of critical components have led to optimized designs that meet desired performance metrics. Detailed drawings, piping and instrumentation diagrams, and process flow diagrams were generated for the integrated system, and structural analyses of the assembled tower structure were performed to demonstrate compliance with relevant codes and standards. Instrumentation and control systems of key subsystems were also demonstrated. Together with Bridgers & Paxton, Bohannan Huston, and Sandia Facilities, we have completed a 100% G3P3 tower design package with stamped engineering drawings suitable for construction bid in Phase 3.

14 SOLAR ENERGY↗

Synthesis of observed and simulated rain microphysics to inform a new Bayesian statistical framework for microphysical parameterization in climate models (Final Scientific Report)

This project aimed to investigate a new approach to bulk microphysics schemes. We identified the need to move beyond the fixed structural assumptions and approximation of existing schemes. For example, most schemes assume some functional form for the rain drop size distribution (e.g. a gamma or exponential distribution). Most schemes then evolve some number of statistical moments of that distribution via various processes, such as evaporation, sedimentation, collision-coalescence, and collisional breakup. These microphysical processes, in turn, are typically some fixed functional form derived from either some other (more detailed) model, or using some single-particle rates that are then integrated over the size distribution. While these process rate functions may have some free parameters to adjust, in other cases doing so is impossible (e.g. when the process rates are analytical or piecewise solutions to some target function). Our goal was to build and test a scheme that assumed no size distribution form, and used a series of power laws as the basis for the process rates. Moments of the size distribution would be predicted, but no underlying size distribution would be specified. Any number or choice of size distribution moments could be used, and any number of power laws could be employed to model the process rates. Thus, our approach is flexible, and can seamlessly scale across levels of complexity, as demanded by the data. Bayesian inference then would provide the formalism to estimate the model parameters and structure, allowing for robust uncertainty quantification. We proposed testing this framework in idealized simulations using bin microphysical schemes as a data source. We also proposed using real data to inform our microphysics scheme, and also that we would integrate our scheme into WRF.

58 GEOSCIENCES↗

Design and Technoeconomic Analysis of High-Temperature Particle Conveyance Components for a 100 MW e Concentrating Solar Power Plant

Levelized costs of electricity (LCOE) approaching the U.S. Department of Energy Solar Energy Technologies Office 2030 goal of 0.05 $/kWh may be achievable using Brayton power cycles that use supercritical CO2 as the working fluid and flowing solid particles with temperatures >700° C as the heat transfer media. The handling and conveyance of bulk solid particles at these temperatures in an insulated environment is a critical technical challenge that must be solved for this approach to be used. A design study was conducted at the National Solar Thermal Test Facility (NSTTF) at Sandia National Laboratories in Albuquerque, NM, with the objective of identifying the technical readiness level, performance limits, capital and O&M costs, and expected thermal losses of particle handling and conveyance components in a particle-based CSP plant. Key findings indicated that chutes can be a low-cost option for particle handling but uncertainties in tower costs make it difficult to know whether they can be cost effective in areas above the receiver if tower heights must then be increased. Skips and high temperature particle conveyance technology are available for moving particles up to 640° C. This limits the use of mechanical conveyance above the heat exchanger and suggests vertical integration of the hot storage bin and heat exchanger to facilitate direct gravity fed handling of particles.

14 SOLAR ENERGY↗

Assessment of Seasonal Energy Performance for Room Air Conditioners in Multiple Climates

This report provides a general approach for adopting a seasonal energy efficiency metric by examining the climate-specific temperature bin distribution for air conditioner use, the seasonal energy efficiency results according to International Standards Organization (ISO) 16358 by climate region, and the relationships in seasonal energy efficiency across regional metrics. This approach could make the seasonal efficiency metric values comparable with those from other countries with standards consistent with ISO 16358. Policy action and market transformation can be accelerated and effectively harmonized with other regional or international efforts by adopting a seasonal energy efficiency metric. The framework and methodology described in this report have been applied in the following publications: Shaffie et al. 2022, Park et al. 2021, Park et al. 2019, and UNEP 2019a.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Full 3D Kinetic Modeling and Quantification of Positive Streamer Evolution in an Azimuthally Swept Pin-to-Plane Wedge Geometry

Cathode-directed streamer evolution in near atmospheric air is modeled in 3D pin-to-plane geometries using a 3D kinetic Particle-In-Cell (PIC) code that simulates particle-particle collisions via the Direct Simulation Monte Carlo (DSMC) method. Due to the computational challenges associated with a complete 360° volumetric domain, a practical alternative was achieved using a wedge domain and a range of azimuthal angles was explored (5°, 15°, 30°, and 45°) to study possible effects on the streamer growth and propagation due to the finite wedge angle. A DC voltage of 6 kV is administered to a hemispherical anode of radius 100 μm, with a planar cathode held at ground potential, generating an over-volted state with an electric field of 4 MV/m across a 1500 μm gap. The domain is seeded with an initial ion and electron density of 10 18 m -3 at 1 eV temperature confined to a spherical region of radius 100 μm centered at the tip of the anode. The air chemistry model [1] includes standard Townsend breakdown mechanisms (electron-neutral elastic, excitation, ionization, attachment, and detachment collision chemistry and secondary electron emission) as well as streamer mechanisms (photoionization and ion-neutral collisions) via tracking excited state neutrals which can then either quench via collisions or spontaneously emit a photon based on specific Einstein-A coefficients [2, 3]. In this work, positive streamer dynamics are formally quantified for each wedge angle in terms of electron velocity and density as temporal functions of coordinates r, Φ, and z. Applying a random plasma seed for each simulation, particles of interest are tracked with near femtosecond temporal resolution out to 1.4 ns and spatially binned. This process is repeated six times and results are averaged. Prior 2D studies have shown that the reduced electric field, E/n, can significantly impact streamer evolution [4]. We extend the analysis to 3D wedge geometries, to limit computational costs, and examine the wedge angle’s effect on streamer branching, propagation, and velocity. Results indicate that the smallest wedge angle that produced an acceptably converged solution is 30°. The potential effects that a mesh, when under-resolved with respect to the Debye length, can impart on streamer dynamics and numerical heating were not investigated, and we explicitly state here that the smallest cell size was approximately 10 times the minimum λ D in the streamer channel at late times. This constraint on cell size was the result of computational limitations on total mesh count.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Systems Packages for Washington State Building Performance Standard Incentive Program: Phase 1 Analysis

Starting in 2026 Washington State building performance standards will come into effect that require commercial buildings larger than 50,000 sf to meet site energy use intensity targets. To support a state incentive program designed to encourage building owners to start complying early, we characterized the building stock energy use of 11 building types, analyzed 43 energy upgrade measures, and developed seven packages of energy upgrade measures using the ComStock energy analysis tool. Each energy upgrade package included from 4 to 17 energy measures consisting of lighting, HVAC, and envelope upgrades. Package savings were calculated for four priority building types using a sample of 35,000 buildings characterized by four building area bins, three climate zones, and two county types (urban and rural). Of the 28 package and building type combinations analyzed, 17 (61%) met or exceeded program energy savings targets and two packages met targets for all four building types.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Dynamic Species Reduction for Multi-Cycle CFD Simulations (Final Technical Report)

This project primarily sought to address some of the computational cost concerns of detailed simulations by developing improved methods of handling species transport, and chemical kinetics evaluation in a commercial 3D Computational Fluid Dynamics (CFD) environment. Secondary goals were to apply these techniques to fuels and conditions of interest to better understand the key species and reactions required to adequately capture cycle to cycle coupling. Improved modeling will lead to better understanding of these combustion modes and their dependence on fuel composition, which can then enable more clean and efficient engines, ultimately benefiting the consumer as well as the general public. Two approaches were used to address the computational cost. A “Dynamic Species Reduction” (DSR) procedure was developed to remove chemical species from the simulation during periods when chemical reactions were not expected to be important, particularly during gas exchange when temperatures are low and little fuel remains. This modelling procedure automatically detects relevant species to retain in the simulation domain based on their local concentration, removes species below a specified concentration threshold, and then adjusts the remaining species mass to conserve not only the number of H, C, and O atoms in each cell, but also the relative proportions between species and the heating value of the mixture in every cell. The second procedure was a “Product Directed Remapping” (PDR) updates the algorithm used to group individual computational cells for chemical kinetics evaluation to account for non-uniform temperature distributions and the CO to CO 2 ratio in the cells. The model techniques developed in this work successfully demonstrated computational performance improvements for a range of conditions relevant for Highly Dilute SI and HCCI engine operation. Runtime reductions of 10% were observed for small mechanisms, with further reductions of up to 36% observed for larger mechanisms. Improvements were primarily related to reducing the number of chemical species tracked during the gas exchange process using the Dynamic Species Reduction method. With smaller benefits observed from changes to the kinetics binning and evaluation strategy in the post combustion region using the PDR method. The results of this work show the potential for improved computational runtime for complicated simulations. They can and should be extended to additional conditions and new bio-derived and renewable fuels as they are developed and new kinetic mechanisms become available.

10 SYNTHETIC FUELS↗

Sparse Data Machine Learning Integration with Theory, Experiment and Uncertainty Quantification: Process-Structure-Property-Performance of Friction Deformation Processing

Computer vision and deep learning tools that advance the ability to establish processing-structure-property-performance (PSPP) relations are presented. The Bayesian binning method for image segmentation enables quantitative analysis of microstructural features in an automated way, while the analysis of shapes and relative orientation of these features reveals local deformation maps indicative of both, material flow and residual stresses due to materials processing. The deep learning method leads to the previous knowledge agnostic mapping of empirically observed microstructural zones in friction stir welding (FSW) process and synthetic microstructure generation capability that is statistically equivalent to experimentally collected data.

97 MATHEMATICS AND COMPUTING↗

Bayesian Cloud Property Retrievals from ARM Active and Passive Measurements

The optimum use of the continuous measurements of thermodynamics, radiation, aerosols, clouds and precipitation from the DOE Atmospheric Radiation Measurement (ARM) program is key to achieve the DOE Atmospheric System Research (ASR)’s objectives. One of the key mission requirements is to retrieve cloud and precipitation properties, as well as vertical motion parameters, along the vertical cross- section defined by the profiling active sensors. Such retrievals are challenging to perform continuously in the entire spectrum of cloud and precipitation conditions due to the large natural microphysical and dynamical variability, the often-limited information content in the measurements, and the lack of proper characterization of measurement quality and uncertainty. Today, the acquisition of new remote and in-situ sensors by the ARM program creates opportunities to address the microphysical retrieval problem by exploiting new, more robust retrieval techniques and integrating various scattered advancements in both sensor techniques and retrieval algorithms. During this project, we constructed a robust Bayesian Markov chain Monte Carlo (MCMC) cloud property retrieval algorithm that includes a state of the art radar forward model. Our MCMC-based retrieval produces both the best estimate of height-resolved cloud and precipitation properties in the radar profile, as well as an estimate of the in-cloud vertical motion and turbulence. In addition, the MCMC algorithm automatically produces robust and flexible estimates of retrieval uncertainty. We tested the algorithm on several synthetic cloud profiles obtained from large eddy simulation (LES) models with bin-resolved microphysics.

54 ENVIRONMENTAL SCIENCES↗

Radiological Dispersal Device (RDD) Recovery Guidance: After Action Report from Pilots - Responding to Feedback from Pilots Reviewing RDD Recovery Guidance

The goal of this After Action report is to utilize feedback from the pilot participants to improve the guidance for responding to radiological dispersal device (RDD) events, which can include deliberate acts to release radioactive materials into the environment using explosives or other means or accidental releases (e.g., release from a medical isotope source). This longer-term recovery guidance is an extension of the initial response guidance that was released in a 2017 interagency report called RDD Response Guidance: Planning for the First 100 Minutes. Recovery teams reviewed the longer-term recovery guidance during pilot sessions that were held in Harris County, Texas (March 8-10, 2022) and Seattle, Washington (May 2-3, 2022). The pilot teams reviewed the RDD Recovery Guidance Presentation, which contains a summary of the more detailed RDD Recovery Guidance draft document. The feedback from both pilots was grouped and binned into unique themes (e.g., “checkpoint challenges”) that align with the recovery missions and tactics that they reviewed. PNNL authors of the recovery guidance then prepared responses that describe how they recommend addressing the feedback for each theme. The responses typically included recommendation plans for improving the guidance document, but also described when no changes are needed because the guidance already contains the suggested improvement. These pilot recommendations will be brought to the interagency team to finalize plans for updating and improving recovery guidance materials.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DES-Y3 galaxies & ACT DR4 CMB lensing tomography

We present a measurement of the cross-correlation between the \maglim galaxies selected from the Dark Energy Survey (DES) first three years of observations (Y3) and cosmic microwave background (CMB) lensing from the Atacama Cosmology Telescope (ACT) Data Release 4 (DR4), reconstructed over $\sim 436$ $\sqdeg$ of the sky. Our galaxy sample, which covers $\sim 4143$ $\sqdeg$, is divided into six redshift bins spanning the redshift range of $0.20<z<1.05$. We adopt a blinding procedure until passing all consistency and systematics tests. After imposing scale cuts for the cross-power spectrum measurement, we reject the null hypothesis of no correlation at 9.1$\sigma$. We constrain cosmological parameters from a joint analysis of galaxy and CMB lensing-galaxy power spectra considering a flat \LCDM model, marginalized over 23 astrophysical and systematic nuisance parameters. We find the clustering amplitude $S_8\equiv \sigma_8 (\Omega_m/0.3)^{0.5} = 0.75^{+0.04}_{-0.05}$. In addition, we co nstrain the linear growth of cosmic structure as a function of redshift. Our results are consistent with recent DES Y3 analyses and suggest a preference for a lower $S_8$ compared to results from measurements of CMB anisotropies by the \textit{Planck} satellite, although at a mild level ($< 2 \sigma$) of statistical significance.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Sequential Inference of Hospitalization Electronic Health Records Using Probabilistic Models

In the dynamic hospital setting, decision support can be a valuable tool for improving patient outcomes. Data-driven inference of future outcomes is challenging in this dynamic setting, where long sequences such as laboratory tests and medications are updated frequently. This is due in part to heterogeneity of data types and mixed-sequence types contained in variable length sequences. In this work we design a probabilistic unsupervised model for multiple arbitrary-length sequences contained in hospitalization Electronic Health Record (EHR) data. The model uses a latent variable structure and captures complex relationships between medications, diagnoses, laboratory tests, neurological assessments, and medications. It can be trained on original data, without requiring any lossy transformations or time binning. Inference algorithms are derived that use partial data to infer properties of the complete sequences, including their length and presence of specific values. We train this model on data from subjects receiving medical care in the Kaiser Permanente Northern California integrated healthcare delivery system. The results are evaluated against held-out data for predicting the length of sequences and presence of Intensive Care Unit (ICU) in hospitalization bed sequences. Our method outperforms a baseline approach, showing that in these experiments the trained model captures information in the sequences that is informative of their future values.

97 MATHEMATICS AND COMPUTING↗

Methodology of the Extraction of Multi-Differential Cross Sections of Charged-Current $\nu_\mu$-Argon Interactions in MicroBooNE Using Wire-Cell $\nu_\mu$CC Selection

Neutrino physics experiments rely on accurate nuclear-interaction models that are in part guided by experimental observations. Multi-differential cross section measurements are particularly valuable for exploring the underlying physics described in these models, making them a significant step forward in the field. This note presents methodology in preparation to unfold neutrino flux-averaged double and triple-differential cross sections of the inclusive muon neutrino charged-current interaction on Argon. This work builds upon the existing framework and methodology presented in recent energy dependent cross section measurements at MicroBooNE using the Wire-Cell tomographic event reconstruction. The signal definition, choice of binning, and handling of estimated detector uncertainties are discussed, and the MicroBooNE simulation model is validated over the multi-dimensional phase space of muon momentum, muon polar angle, and visible hadronic energy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Double-differential Measurements of Mesonless Charged-current Muon Neutrino Interactions on Argon with Final-State Protons using the MicroBooNE Detector

This note reports the first double-differential measurements of charged-current $ν_µ$ scattering on argon leading to final states containing zero mesons and one or more protons. This event topology (hereafter abbreviated as CC0$πNp$) is the most common at the neutrino energies typically produced by the Fermilab Booster Neutrino Beam. A detailed understanding of neutrino-argon scattering in the CC0$πNp$ channel is therefore crucial for the success of the precision neutrino oscillation analyses planned for the Short-Baseline Neutrino (SBN) program. This remains true for the upcoming Deep Underground Neutrino Experiment (DUNE), but the higher mean neutrino energy used there will ensure that more inelastic reaction modes, such as single pion production, will also play a major role. The analysis described in this note builds on a previous MicroBooNE study of the CC0$πNp$ channel which obtained the first single-differential cross-section measurements on an argon target. Since that foundational work, significant improvements have been made to MicroBooNE’s simulation software, event reconstruction algorithms, and procedure for calculating systematic uncertainties. When combined with a larger dataset (corresponding to a beam exposure of 6.79 × 10 20 protons-on-target versus 1.60 × 10 20 in Ref. [3]), these enhancements allow the important CC0$πNp$ channel to be studied in more detail. This note begins with a description of the data and simulation samples used as input to the analysis. Section 3 then defines the CC0$πNp$ signal event topology, and Section 4 describes a set of selection criteria designed to identify these events in MicroBooNE data. Binning schemes are then defined in Section 5 for two double-differential measurements of event rates. The first of these considers the momentum and scattering cosine of the outgoing muon, while the second reports the same observables for the leading proton, i.e., the final-state proton with the largest momentum. After a discussion of systematic uncertainties in Section 6, the note concludes by comparing the predictions of MicroBooNE Monte Carlo (MC) simulations to the measured double-differential distributions. These results will form the basis for a future extraction of flux-averaged double-differential CC0$πNp$ cross sections that will be immediately comparable to the theoretical predictions of multiple neutrino event generators. The selection described herein may also be used to study various other observables in CC0$πNp$ events, including those which are sensitive to correlations between leptonic and hadronic kinematics in the final state.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Measurement of Triple-Differential Inclusive Muon Neutrino Charged-Current Cross Sections on Argon with the MicroBooNE Detector

We report the first measurement of the differential cross section $d^2σ(E_ν)/dcos(θ_µ)dP_µ$for inclusive muon neutrino charged-current scattering on argon. This measurement utilizes data from6.5×10 20 protons on target of exposure collected using the MicroBooNE liquid argon time projection chamber located on-axis in the Fermilab Booster Neutrino Beam with a mean neutrino energy of approximately 0.8 GeV. In this note, the mapping from reconstructed kinematics to truth quantities, particularly from reconstructed to true neutrino energy, is validated by comparing the distribution of reconstructed hadronic energy in data to that of the model prediction in different muon scattering angle bins after conditional constraint from the muon momentum distribution in data. The success of this validation gives confidence that the missing energy in the MicroBooNE detector is well-modeled within its uncertainties in simulation, enabling the unfolding to an energy-dependent triple-differential measurement over muon momentum, muon scattering angle, and neutrino energy. The unfolded measurement covers an extensive phase space, providing a wealth of information useful for future LArTPC experiments measuring neutrino oscillations. Comparisons with model predictions show the best agreement with Neut 5.4.0.1 at low energy, and with NuWro 19.02.01 at higher energies, particularly at forward muon scattering angles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Solid State Solar Thermochemical Fuel (SoFuel) for Long Duration Storage

Efficient thermal storage systems, when coupled with renewable energy, enable the decarbonization of numerous industrial processes requiring high temperature steam or air, and provide a path for seasonal building heating, especially for colder climates. Existing thermal storage systems face a significant challenge due to losses inherent to all high temperature systems. A viable route to long-term storage is to use thermochemical reactions to convert concentrated solar energy to a fuel that is shelf-stable and can be stored at room temperature, thus eliminating losses associated with high temperature storage. The Solid-State Solar Thermochemical Fuel (SoFuel) technology developed by Michigan State University, Oregon State University, and Mississippi State University provides reactors and processes with minimal sensible heat losses and allows storing solar energy as a solid-state fuel at room temperature for long duration. The production of SoFuel occurs within a cylindrical cavity reduction chemical reactor that captures concentrated solar radiation from a solar field. Reactive magnesium manganese oxide (Mg-Mn-O) resides within the cylindrical cavity chemical reactor and undergoes thermal reduction as the temperature exceeds 1350°C. The thermally reduced Mg-Mn-O pellets (the SoFuel) are cooled down through a recuperative process and stored within a bin until used. The SoFuel can directly supply up to 1100°C heat to an adjacent power plant for electricity generation or industrial heating. Oxidation of SoFuel pellets occurs in a counter flow reactor and supplies heat to the user for electricity generation or industrial processing, after which the fuel is returned to the concentrating solar field where it is regenerated for re-use. Both reactors can be controlled well using a variety of strategies. With the low cost of the material, its cyclability, and the possibility of using the pelletized with on-sun reactors, or with electricity that would be curtailed, this project offers a viable option of medium- and long-term thermal energy storage.

14 SOLAR ENERGY↗