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DOE OSTI2024

A framework to enhance disaster debris estimation with AI and aerial photogrammetry

This study addresses the critical need to enhance disaster preparedness and response, focusing on hurricane impact assessment and debris estimation. Accurate assessments in this context are critical for post-event search-and-rescue (SAR) operations and resource distribution. Recent computing advancements are revealing the potential of unmanned aerial vehicles (UAVs) and artificial intelligence (AI) technologies in collecting data and assisting with post-hurricane reconnaissance. However, the use of AI and UAV photogrammetry for accurate disaster impact analysis remains underexplored. To this end, this study proposes a damage and debris analysis framework harnessing reality capture through aerial imagery and photogrammetry. Within this framework, a region-based neural network is leveraged to detect debris locations in aerial imagery with favorable performance. In a testbed within the Beaumont-Port Arthur region, in Southeast Texas, this study performs 3D reality captures of the built environment. Since the accuracy of the 3D reality capture is of importance in research areas associated with time-sensitive disaster response, we further investigate the optimal 2D aerial imagery overlap ratio required to generate a sufficiently accurate 3D model for disaster impact analysis and debris volume estimation. Results indicate that, in the case of aerial imagery for infrastructure systems, a minimum of 60 % overlap is recommended for damage assessment and debris analysis. In contrast, for flat green areas, a minimum of 50 % overlap is adequate. Overall, for disaster response applications, our study reveals that an overlap ratio between 60 % and 70 % is optimal for achieving a balance between time efficiency and data quality in aerial data collection. Furthermore, these quantitative recommendations are crucial for enabling efficient disaster response efforts. Additionally, our study outcomes will improve disaster impact analysis and facilitating timely and effective response strategies.

Artificial intelligence↗

DOE OSTI2025

Roadmap on thermodynamics and thermal metamaterials

Thermal metamaterials represent a transformative paradigm in modern physics, synergizing thermodynamic principles with metamaterial engineering to master heat flow at will. As next-generation technologies demand multi-scale thermal control, this field urgently requires systematic frameworks to unify its multidisciplinary advances. Curated through a global collaboration involving over 50 specialists across 25 subdisciplines, this review primarily summarizes two decades of advancements, ranging from theoretical breakthroughs to functional implementations. The review reveals groundbreaking innovations in heat manipulation through the exploration of both classical and non-classical transport regimes, topological thermal control mechanisms, and quantum-informed phonon engineering strategies. By bridging physical insights like non-Hermitian thermal dynamics and valleytronic phonon transport with cutting-edge applications, we demonstrate paradigm-shifting capabilities: environment-adaptive thermal cloaks, AI-optimized metamaterials, and nonlinear thermal circuits enabling heat-based computation. Experimental milestones include 3D thermal null media with reconfigurable invisibility and thermal designs breaking classical conductivity limits. Here, this collaborative effort establishes an indispensable roadmap for physicists, highlighting pathways to quantum thermal management, entropy-controlled energy systems, and topological devices. As thermal metamaterials transition from laboratory marvels to technological cornerstones, this work provides the foundational lexicon and design principles for the coming era of intelligent thermal matter.

heat conduction control↗

DOE OSTI2026

Precise measurement of the tt¯ production cross-section and lepton differential distributions in eμ dilepton events from s=13TeVpp collisions with the ATLAS detector

The inclusive top quark pair (tt¯$$t\bar{t}$$) cross-section σtt¯$$\sigma _{t\bar{t}}$$ has been measured in proton–proton collisions at s=13TeV$$\sqrt{s}=13\,\text {TeV}$$, using 140fb-1$$140\,{\text {fb}^{-1}} $$ of data collected by the ATLAS experiment at the Large Hadron Collider. Using events with an opposite-charge eμ$$e\mu $$ pair and b-tagged jets, the cross-section is measured to be: σtt¯=829.3±1.3(stat)±8.0(syst)±7.3(lumi)±1.9(beam)pb,$$\begin{aligned} \sigma _{t\bar{t}} & = 829.3\pm 1.3\,\mathrm {(stat)}\ \pm 8.0\,\mathrm {(syst)}\ \pm 7.3\,\mathrm {(lumi)}\ \\ & \quad \pm 1.9\,\mathrm {(beam)}\,\textrm{pb}, \end{aligned}$$where the uncertainties reflect the limited size of the data sample, experimental and theoretical systematic effects, the integrated luminosity, and the proton beam energy, giving a total uncertainty of 1.3%. The result is used to determine the top quark pole mass via the dependence of the predicted cross-section on mtpole$${m_{t}^\textrm{pole}}$$, giving mtpole=172.8-1.7+1.5$${m_{t}^\textrm{pole}}=172.8^{+1.5}_{-1.7}$$ GeV$$\text {GeV}$$. The same event sample is used to measure absolute and normalised differential cross-sections for the tt¯→eμνν¯bb¯$$t\bar{t} \rightarrow e\mu u \bar{ u }b\bar{b} $$ process as a function of single-lepton and dilepton kinematic variables. Complementary measurements of eμbb¯$$e\mu b\bar{b} $$ production, treating both tt¯$$t\bar{t}$$ and Wt events as signal, are also provided. Both sets of differential cross-sections are compared to the predictions of various Monte Carlo event generators, demonstrating that the state-of-the-art generators Powheg MiNNLO and Powhegbb4l describe the data better than Powheghvq.

Aad, G↗

DOE OSTI2025

Increasing the Scale of the Mass Spectrometry Query Language Compendium with Explainable AI

A significant bottleneck in metabolomics data interpretation is the effective use of domain knowledge to assign structural information based on fragmentation patterns. The mass spectrometry query language (MassQL) aims to make this process accessible and applicable across multiple analysis platforms. While advanced computational methods are capable of predicting compound structures from fragmentation data, AI/ML approaches often rely on complex, opaque criteria that are difficult to interpret or modify. As a result, their predictive patterns cannot be readily translated into human-readable rules, such as those used in MassQL. Here, in this study, we introduce ChemEcho, a machine learning embedding method that converts tandem mass spectrometry data into sparse feature vectors containing peak and neutral mass subformulae to enhance explainable AI/ML-based methods. An advantage of this approach is that decision trees trained using these feature vectors can be directly translated to MassQL. Using a battery of decision trees trained using ChemEcho embeddings to predict molecular attributes, we generated over 1500 MassQL queries for 765 molecular features and evaluated their precision and recall. From these queries, the 50 highest-performing queries were integrated into the MassQL compendium. This set of generated MassQL queries included environmentally and biologically relevant classes such as PFAS and molecules containing phosphate or sulfate substructures. To illustrate the impact these queries would have on a typical metabolomics experiment, these MassQL queries were applied to a public metabolomics data set─resulting in a marked increase in the structural information derived from tandem mass spectra. Access and reuse of these queries is expected to enhance structural annotation in untargeted experiments, leading to more specific claims and advancing many applications in metabolomics.

Harwood, Thomas V. [USDOE Joint Genome Institute (↗

DOE OSTI2026

The Next Stage for Smart Cities: Metrics to Spur an Evolution from Technology for Efficiency to Technology for People's Needs

The Smart Cities movement is about a decade old, energized by the USDOT Smart Cities grant that sparked cities to dream big. Now, 10 years later, and multitudes of conferences and papers later, the biggest question regarding Smart Cities is whether any progress has been made? Smart Cities forums are typically led by the technology sector, either telecommunications, internet access, or most recently artificial intelligence (AI) concerns. Each of these areas have grown and found new applications in the context of Smart Cities, however, these technology applications are just tools toward ends. Do digital communications and assistance enable or foster improved access to real, tactile, non-virtual goods and services such as transportation, food, housing, trash removal, health care, education, social interaction? These and other topics are not 'big tech', but are each critical to quality of life outcomes and are day-to-day necessities, comprising many of the touch points through which citizens interact with municipal agencies. Regarding Smart Cities, relationships have not been fully refined as to how best to merge the emerging generation of technology and related trends with more mundane but essential requirements of tactile services. How should municipal managers and operators bring the range of new technology tools (e.g. on-demand transit, automated vehicles, digital connectivity) to bear to improve functions serving real- physical- non-virtual needs? How do we make cities more efficient in providing access to services and opportunities for improved quality of life? This paper examines the current Smart City movement, emerging trends, and the need to put metrics with respect to the delivery, access, and provision of real-life needs. Using a few case studies of past, present, and projected future scenarios, this paper attempts to bring Smart Cities into the real cities domain, perhaps pushing the moniker away from 'Smart' to 'Efficient' - something that can be measured, counted, and assessed. Through the consideration of the next stage of the evolution of cities from 'Smart' to 'Efficient', the combined efforts and experience of multiple researchers at the NREL and their network of collaborators highlights the need for updates metrics that can be used to start guiding efforts toward productive initiatives to improve quality of life.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2025

Computational Modeling to Advance Novel Medical Isotopes for Radiotheranostics: A DOE-NIH Joint Workshop Executive Summary

The DOE-NIH Joint Workshop on Computational Modeling to Advance Novel Medical Isotopes for Radiotheranostics, held on September 27, 2024, brought together experts from government, academia, and industry to address critical challenges in radionuclide production and clinical translation. Here, the workshop emphasized interdisciplinary collaboration, particularly between the Department of Energy (DOE) and the National Institutes of Health (NIH), to strengthen the domestic isotope supply, streamline regulatory pathways, and further integrate computational tools into radiopharmaceutical therapy (RPT). Key discussions explored the role of AI-driven modeling, machine learning, and digital twin technologies in optimizing dosimetry, dynamically personalizing treatments, and reducing time to clinical adoption. Advances in predictive computational modeling were highlighted as essential for improving radionuclide yield, purity, and synthesis efficiency. Regulatory considerations and equitable access were central themes, with participants advocating for harmonized global standards, adaptive trial designs, and expanded infrastructure for clinical implementation. DOE computational and production infrastructure was emphasized. Future priorities identified include increased investment in radionuclide production infrastructure, expanded workforce development in radiopharmaceutical sciences and computational modeling, and the creation of robust public-private partnerships. The workshop concluded that continued strategic collaboration and sustained resources will be vital for advancing next-generation radiotheranostics, ensuring safe and effective therapies accessible to all patients.

digital twins↗

DOE OSTI2026

Submodule-Level Decentralized Control for Cascaded Quadruple Active Bridge-Based Medium-Voltage Converters

High-power, low-voltage DC (LVDC) loads, such as AI data centers, electric vehicle fast-charging hubs, and hydrogen electrolyzers, are accelerating the deployment of solid-state transformers (SSTs) that directly interface medium-voltage AC (MVAC) to LVDC, streamlining power delivery. This paper proposes a submodule-level decentralized control strategy for an SST comprising a cascaded H-bridge (CHB) active rectifier on the MVAC side and per-module quadruple-active-bridge (QAB) converters on the LVDC side with local controllers. The proposed strategy eliminates the need for high-fidelity, real-time cross-isolation communication by synchronizing all active bridges to a common heartbeat signal and enabling the primary- and secondary-side controllers to generate independent local control signals (phase shifts). The resultant phase shifts naturally govern average and double-line frequency power transfer between active bridges, enabling each side to meet its control objectives using only local measurements. Detailed controller design considerations are presented based on a stability analysis. Comprehensive electromagnetic-transient simulations demonstrate tight DC-link voltage regulation, high-quality grid currents, and robust operation under load transients and grid disturbances, without real-time communication among the submodule controllers. These results indicate that the proposed scheme can significantly enhance the reliability, scalability, and flexibility of cascaded bridge-based medium-voltage converters.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

NewLife Nuclear - An Environmentally and Economically Minded Solution for Fusion Energy Waste Handling

Energy demand is rising as a result of innovative and increasingly more energy intensive processes coming to fruition, particularly through the recent interest in the development of AI data centers as well as manufacturing with the push towards increasing domestic manufacturing interest. Fusion energy can provide virtually limitless energy to support this increase in energy demand. Fusion energy concepts, largely classified as magnetic fusion energy (MFE) and inertial fusion energy (IFE) are being pursued, each having unique challenges to overcome before the successful deployment of electricity to the grid. Achieving fusion ignition on the National Ignition Facility, first in December 2022, and eight times since, has demonstrated the scientific viability of the IFE approach. Meanwhile, MFE test stands continue to improve confinement times, making meaningful strides in progressing towards experimental scientific viability. In each of these approaches, an emphasis is placed on generating more power out of the system than what is required to power the system. An under-researched area applicable to both IFE and MFE is handling activated waste coming out of fusion energy systems, both in the course of normal daily operations, as well as in intermittent periods as structural materials may need to be replaced. In the context of an IFE plant system, commonly discussed plant designs suggest targets are ignited within a chamber at a rate of up to one million targets per day. Between each shot, the chamber housing the ignition event will clear a portion of the chamber – resulting in a mixture of vaporized target gas, target debris, and other materials being expelled from the chamber [source]. Additionally, IFE system concepts typically discuss the modularization of plant designs, which are expected to be replaced periodically as the components degrade over time. This would result in the irradiated chamber structure materials, likely metals and alloys, needing to be removed and safely stored. In MFE plant systems, while targets are not ignited at a repetition rate with the frequent chamber clearing as is expected in IFE plant systems, it is anticipated that portions of the confinement area interfacing with the hot plasma will need to be replaced periodically. In each system, without additional investment and research into alternative processing and recycling methods, the result is storing irradiated materials, and other elements in a safe containment area until they are no longer activated. – resulting in significant waste both economic and environmental.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2026

Submodule-Level Decentralized Control for Cascaded Quadruple Active Bridge-Based Medium-Voltage Converters: Preprint

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2026

Integrated System Planning: Emerging Software Requirements in the Power Industry

Power system planning software remains fragmented across organizational boundaries, with specialized tools for capacity expansion, production cost modeling, power flow, and dynamic analysis operating on incompatible data models and assumptions. This article argues that the fragmentation is not merely a technical problem but a predictable consequence of Conway's law: software architectures mirror the departmental structures within which they are developed. Regulatory milestones like Federal Energy Regulatory Commission (FERC) Order 888 formalized these divisions, but the roots trace back to the distinct engineering disciplines-mechanical, chemical, and electrical-that staffed generation and transmission planning departments in vertically integrated utilities. As the industry moves toward integrated system planning (ISP) that coordinates generation, transmission, and distribution investment decisions, the software ecosystem must evolve accordingly. We identify five categories of software requirements to enable this transition: coherent data inputs decoupled from individual applications, unified and extensible data schemas, modular component representations that support multiple abstraction levels, lifecycle management of planning datasets, and well-defined application programming interface (API) contracts that separate data exchange from algorithmic control. We examine how these requirements interact with three common workflow patterns-serial gate clearing, sequential multiapplication, and convergence oriented-and discuss the interface design principles each demands. We then outline a vision for platform-based planning architectures where specialized analytical services compose through standardized interfaces and where artificial intelligence (AI)/machine learning (ML) tools augment decision support within a disciplined software infrastructure. The practices proposed here offer a path from today's siloed tool collections toward collaborative planning ecosystems capable of handling the complexity of modern power system transformation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2026

A reactive ferroelectric tuner for microphonics compensation

Jefferson Lab (JLab) is actively pursuing an extensive research program focused on developing advanced Nb₃Sn superconducting technology for particle accel-eration. Due to the brittle nature of Nb₃Sn coatings, a Ferroelectric Tuner (FRT) currently represents the most viable approach for microphonics compensation in these next-generation cavities. We suggest a novel, fast-responding FRT integrated directly into the main coupler, eliminating the need for an additional RF port. Leveraging a unique RF design based on a magic-T configuration, this advanced FRT will enable micro-phonics compensation in the ±30 Hz range without undesirable changes to the external quality factor.

Accelerator Physics↗

DOE OSTI2025

A reactive ferroelectric tuner for microphonics compensation

Accelerator Physics↗

DOE OSTI2025

Employing MACS/ViBRANT as a Surrogate MARVEL Reactor for Startup Reactivity Tuning and Supervisory Control Processes

Advanced nuclear reactors are a key part of the future of nuclear energy both in the United States and globally. They offer unique benefits for various energy-demanding applications, including use in remote locations, compact size, modular manufacturing, remote monitoring, low and/or variable power rating operation, and reliance on novel technologies to enhance operational safety. To achieve economic feasibility, advanced reactors must significantly reduce their workforces in comparison with the current fleet. Achieving this reduction will occur through reducing staff workloads using technology to achieve autonomous or semi-autonomous operations, demonstrated by comprehensive testing and validation activities. These operations will require both software and hardware platforms during the design and testing phases. While simulations are useful during the design phase, their performance can significantly deviate during actual deployment on hardware. This report presents the outcomes of a collaborative technical initiative between the U.S. Department of Energy (DOE) Microreactor Program (MRP) and Advanced Sensors and Instrumentation (ASI) Program. The collaboration utilized the Microreactor Automated Control System (MACS) hardware platform to bridge the gap between theoretical reactor design and actual startup and control operations. Two key use cases were investigated: facilitating the startup testing period and demonstrating supervisory control. The first use case details the key Microreactor Applications Research Validation and Evaluation (MARVEL) reactor startup physics testing activities conducted using the MACS platform. These activities included drum worth measurements, shutdown margin assessment, temperature feedback analysis, and scram time evaluation, as well as unique testing that would apply to the MARVEL reactor to demonstrate the testing methodologies in a low-risk environment. The MACS platform, serving as a surrogate representation of the MARVEL reactor, proved instrumental in performing these tests. The exercise revealed aspects that led to optimized processes, refined hardware design, and enhanced base software capabilities. By maturing methods and technologies in this manner, the initiative promises to reduce wasted time in the actual on-site reactor deployment effort, thereby saving significant time and resources. The second use case focuses on the development and implementation of supervisory control methods aimed at managing core tilt, which can result from asymmetrical operations or manufacturing imperfections in fuel rods or reactivity control devices. A key objective was to assess and compare the use of artificial intelligence (AI) for supervisory control. The effort aimed to define the role of supervisory control to enhance performance without risking control instability. This effort explored three distinct approaches: rules-based (RB) methods, optimization techniques, and reinforcement learning (RL) algorithms. Each approach was evaluated for its ease of implementation, its usability, and its effectiveness in responding to asymmetries in neutron flux. Comparative analysis of these approaches provided valuable insights into their applicability and effectiveness, offering a robust framework for advanced reactor operations. Together, these two use cases highlight the potential of hardware test beds to help streamline the design, operation, and control of advanced nuclear reactors. This collaborative effort underscores the importance of continued innovation and experimentation in achieving the next generation of safe, reliable, and economically viable nuclear energy solutions.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Nanopolysaccharide Builder: A User-Friendly Tool for Atomistic Models of Polysaccharide-Based Nanostructures

Here, we introduce Nanopolysaccharide Builder (NPB), a user-friendly software tool designed to construct polysaccharide nanostructures─mainly those based on cellulose, chitin, and chitosan─using experimental data or user-defined parameters. NPB enables the generation of cellulose and chitin allomorphs with customizable biochemical topologies and also facilitates the construction of large bundles that replicate nanostructures found in biological support systems, including plant cell walls and arthropod cuticles. The software outputs atomic Cartesian coordinates in Protein Data Bank (PDB) format and also provides atom connectivity files in PSF and PARM formats, ensuring seamless integration with major molecular dynamics (MD) engines such as NAMD, CHARMM, GROMACS, AMBER, OpenMM, and LAMMPS. Built on an interactive visualization framework, NPB features a graphical user interface (GUI) and supports both macOS and Linux operating systems. By enabling detailed atomic-scale studies of polysaccharide evolution in extracellular matrices and cell walls of algae, bacteria, fungi, and plants, NPB is poised to advance AI-guided research in sustainable chemical development and biomass utilization.

Wan, Zhangmin [Univ. of British Columbia, Vancouve↗

DOE OSTI2025

Correlated spin-wave generation and domain-wall oscillation in a topologically textured magnetic film

Spin waves, or magnons, are essential for next-generation energy-efficient spintronics and magnonics. Yet, visualizing spin-wave dynamics at nanoscale and microwave frequencies remains a formidable challenge due to the lack of spin-sensitive, time-resolved microscopy. Here, in this study, we report a breakthrough in imaging dipole-exchange spin waves in a ferromagnetic film owing to the development of laser-free ultrafast Lorentz electron microscopy, which is equipped with a microwave-mediated electron pulser for high spatiotemporal resolution. Using topological spin textures, we captured the emission, propagation, reflection and interference of spin waves from spin anti-vortices under radio-frequency excitations. Remarkably, we show that spin-wave generation is closely tied to the oscillatory motion of specific magnetic domain walls, providing the missing link between wave emission and wall dynamics near magnetic singularities. This work opens new possibilities in magnonics, offering a nanoscopic view of spin dynamics via transmission electron microscopy and enabling controlled excitation via radio-frequency fields for exploring non-equilibrium states in magnetic and multiferroic systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Digital Twin Framework for PIP-II Linac: AI-Driven Multi-Scale Modeling from Ion Source to 800 MeV

The PIP-II linac will enable >1.2 MW beam power for DUNE, requiring unprecedented operational reliability across its warm front-end (RFQ, MEBT) and five distinct SRF sections operating at 162.5/325/650 MHz. We present a comprehensive digital twin framework uniquely combining a fully differentiable fast beam transport code with neural network surrogates trained on high-fidelity PIC simulations, capturing space charge and nonlinear dynamics beyond traditional envelope codes while achieving 10⁴ speedup at <1% accuracy. End-to-end differentiability enables gradient-based optimization across 500+ parameters simultaneously previously impossible with conventional tools while the model incorporates static/dynamic errors and serves as a virtual commissioning platform for diverse hardware integration. The framework facilitates reinforcement learning for pulsed/CW mode transitions, predictive maintenance through anomaly detection, and autonomous tuning algorithm development with real-time execution capability. Validation against physics simulations shows excellent agreement for the front-end, with initial results demonstrating potential for 30% commissioning time reduction and proactive fault mitigation, providing a scalable blueprint for operating next-generation high-intensity accelerators.

Pathak, Abhishek [Fermilab] (ORCID:000000021704208↗

DOE OSTI2025

Digital Twin Framework for PIP-II Linac: AI-Driven Multi-Scale Modeling from Ion Source to 800 MeV

The PIP-II linac will enable >1.2 MW beam power for DUNE, requiring unprecedented operational reliability across its warm front-end (RFQ, MEBT) and five distinct SRF sections operating at 162.5/325/650 MHz. We present a comprehensive digital twin framework uniquely combining a fully differentiable fast beam transport code with neural network surrogates trained on high-fidelity PIC simulations, capturing space charge and nonlinear dynamics beyond traditional envelope codes while achieving 10⁴× speedup at <1% accuracy. End-to-end differentiability enables gradient-based optimization across 500+ parameters simultaneously—previously impossible with conventional tools—while the model incorporates static/dynamic errors and serves as a virtual commissioning platform for diverse hardware integration. The framework facilitates reinforcement learning for pulsed/CW mode transitions, predictive maintenance through anomaly detection, and autonomous tuning algorithm development with real-time execution capability. Validation against physics simulations shows excellent agreement for the front-end, with initial results demonstrating potential for 30% commissioning time reduction and proactive fault mitigation, providing a scalable blueprint for operating next-generation high-intensity accelerators.

Pathak, Abhishek [Fermilab] (ORCID:000000021704208↗

DOE OSTI2024

Deep learning of experimental electrochemistry for battery cathodes across diverse compositions

Artificial intelligence (AI) has emerged as a tool for discovering and optimizing novel battery materials. However, the adoption of AI in battery cathode representation and discovery is still limited due to the complexity of optimizing multiple performance properties and the scarcity of high-fidelity data. Here, we present a machine learning model (DRXNet) for battery informatics and demonstrate the application in the discovery and optimization of disordered rocksalt (DRX) cathode materials. We have compiled the electrochemistry data of DRX cathodes over the past 5 years, resulting in a dataset of more than 19,000 discharge voltage profiles on diverse chemistries spanning 14 different metal species. Learning from this extensive dataset, our DRXNet model can capture critical features in the cycling curves of DRX cathodes under various conditions. Our approach offers a data-driven solution to facilitate the rapid identification of novel cathode materials, accelerating the development of next-generation batteries for carbon neutralization.

25 ENERGY STORAGE↗