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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 361 records · Page 20

An integrated experimental–modeling approach to identify key processes for carbon mineralization in fractured mafic and ultramafic rocks

Abstract Controlling atmospheric warming requires immediate reduction of carbon dioxide (CO2) emissions, as well as the active removal and sequestration of CO2 from current point sources. One promising proposed strategy to reduce atmospheric CO2 levels is geologic carbon sequestration (GCS), where CO2 is injected into the subsurface and reacts with the formation to precipitate carbonate minerals. Rapid mineralization has recently been reported for field tests in mafic and ultramafic rocks. However, unlike saline aquifers and depleted oil and gas reservoirs historically considered for GCS, these formations can have extremely low porosities and permeabilities, limiting storage volumes and reactive mineral surfaces to the preexisting fracture network. As a result, coupling between geochemical interactions and the fracture network evolution is a critical component of long-term, sustainable carbon storage. In this paper, we summarize recent advances in integrating experimental and modeling approaches to determine the first-order processes for carbon mineralization in a fractured mafic/ultramafic rock system. We observe the critical role of fracture aperture, flow, and surface characteristics in controlling the quantity, identity, and morphology of secondary precipitates and present where the influence of these factors can be reflected in newly developed thermo-hydro-mechanical–chemical models. Our findings provide a roadmap for future work on carbon mineralization, as we present the most important system components and key challenges that we are overcoming to enable GCS in mafic and ultramafic rocks.

58 GEOSCIENCES↗

Evaluation of Aggregated EV Flexibility With TSO-DSO Coordination

Electric vehicles (EVs) are becoming a promising source of grid ancillary services due to the temporal and spatial charging flexibility, quick response and storage capability. Such advantages are increasing with government policy promotion and technology improvement. However, the exploration of EV flexibility requires the coordination of both transmission system operators (TSOs) and distribution system operators (DSOs), to ensure the safe and reliable operation of power network. In this paper, we propose a coordinated evaluation method that determines the optimal utilization of EV temporal flexibility without compromising EV owners’ usage. At the distribution level, DSOs first evaluate EV aggregators’ operational boundaries to exploit distribution level services. At the transmission level, TSOs then determine EV charging schedules and ancillary service capacity simultaneously, taking into account the requirement from DSOs. Here, we validate the model in a case study using the IEEE 123 node test feeder and EV charging sessions obtained from a transportation simulation tool that uses real-world data.

33 ADVANCED PROPULSION SYSTEMS↗

Baylor University Campus-Wide Deep Dive

In January 2020, staff members from the Engagement and Performance Operations Center (EPOC) and the Lonestar Education And Research Network (LEARN) met with researchers and staff at Baylor University for the purpose of a Campus-Wide Deep Dive into research drivers. The goal of this meeting was to help characterize the requirements for five campus research use cases and to enable cyberinfrastructure support staff to better understand the needs of the researchers they support. Profiled scientific use cases included: - Experimental High Energy Physics (HEP) - Proton Computed Tomography (pCT) - Nutrition and Relation to Digestive Microbiome - Baylor University Core Research Facilities - Molecular Quantum-dot Cellular Automata (QCA), and Material Science of Quantum Computing - Modeling and Simulation of Low-Dimensional and Nano-Structured Materials - Computational Fluid Dynamics Material for this event included the written documentation from each of the research areas at Baylor University, documentation about the current state of technology support, and a write-up of the discussion that took place in person. The Case Studies highlighted the ongoing challenges that Baylor University has in supporting a cross-section of established and emerging research use cases. Each Case Study mentioned unique challenges which were summarized into common needs. These included: - Tradeoffs for network/software security, and usability of the resulting infrastructure. Better communication to set expectations and understand realities is required. - Computation use on campus is widespread and healthy. While no major problems were uncovered, upgrades to maintain current usage patterns and encourage growth will be required. - Storage is a critical need for enterprise use cases and research. In particular, a campus wide ‘storage architecture’ to support research use cases (e.g. instruments, data sharing) is required in the 2-5 year time window. - Instrumentation on campus is healthy and expanding. Technology must scale with this in the form of computation and storage. - Working with LEARN to upgrade network capacity (in multiples of 10G, or upgrades to 100G) will be required in the 1-3 year time frame. - Network monitoring and visibility will help to establish external science use cases. - Data sharing via portal systems is not currently a critical need, but growing in scope. EPOC can assist Baylor with options.

99 GENERAL AND MISCELLANEOUS↗

Interconnection Cost Analysis in the PJM Territory

Electric transmission system operators (ISOs, RTOs, or utilities) require new large generators seeking to connect to the grid to undergo a series of impact studies before they can be built. This process establishes what new transmission equipment or upgrades may be needed before a project can connect to the system and assigns the costs of that equipment. Berkeley Lab has collected interconnection cost data from interconnection studies for the PJM Territory, representing nearly 86% of all new unique generators requesting interconnection from 2000 to 2022. Project-level cost summary data are available for download on this page. We find: -Average interconnection costs have grown as the number of interconnection requests have escalated -Projects that have completed all required interconnection studies have the lowest cost compared to applicants still actively working through the interconnection process or those that have withdrawn. -Broader network upgrade costs are the primary driver of recent cost increase. -Potential interconnection costs for wind, storage, and solar are larger than for natural gas -Larger generators have greater interconnection costs in absolute terms, but economies of scale exist on a per kW basis. -Interconnection costs vary by location Berkeley Lab will publish a series of short analytical papers of generator interconnection costs to the transmission system for MISO, PJM, SPP, ISO-NE and NYISO, which you can find at https://emp.lbl.gov/interconnection_costs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

BESS Digital Assurance, Supply Chain Risk Management, and Emerging Regulation Session Two

The TADA BESS Supply Chain Workshops are designed to equip participants with the knowledge and tools necessary to address the evolving challenges at the intersection of battery energy storage systems (BESS), cybersecurity, and supply chain vulnerabilities. The workshops emphasize the application of Cyber-Informed Engineering (CIE) principles using INL’s procurement guide and the CIE-BAT tool. Attendees will develop risk-based security strategies and actionable compliance roadmaps tailored to their BESS projects. Additionally, the program fosters a collaborative network of practitioners and provides guidance on navigating emerging regulatory requirements, including FEOC rules under the OBBB framework, to assess and enhance organizational readiness. A comprehensive exploration of BESS cybersecurity supply chain risks, systematic vendor risk assessment through the BESS Procurement Guide, and practical application of the INL SCRM Chatbot for enhanced supply chain resilience. This is Session 2 of 3. (Full Version)

25 - ENERGY STORAGE↗

Coordinated Power and Energy Management Using Cluster of Microgrids to Improve Grid Availability and Resiliency

A coordinated power and energy management concept for a cluster of microgrids is presented in this paper. Distributed generation and storage resources at the low voltage end of the power distribution grid can be operated together as microgrids. These microgrids can operate in grid-connected mode and in islanded mode, thereby serving the loads within them during loss-of-service from the transmission network. In the proposed coordinated microgrid management scheme, multiple microgrids, operated as a cluster, can be connected using tie reclosers or through auxiliary distribution lines as a retrofit operation, which are activated during transmission system failure, and power generated or energy stored are shared between microgrids with different power demands. The operation can be achieved with no modified power inverter controls, and minimal changes to the supervisory / dispatch control and communications systems. In this paper, the cluster of microgrids presented include solar photovoltaic (PV) plants, battery energy storage systems (BESS) and loads. A demonstration cluster with two microgrids is operated using a real-time hardware-in-loop platform to show power and energy management during transmission system failure.

Essakiappan, Somasundaram↗

Performance Evaluation of Gray-box and Machine Learning Models of a Thermal Energy Storage System with Active Insulation

An interior partition wall integrated with active thermal storage and a dynamic insulation system was built and then installed in an office building in Oak Ridge, Tennessee, TN. This smart wall, termed the Empower Wall, was equipped with embedded pipes in the building envelope core component and an additional pipe network enclosing rigid insulation to switch on and off the active insulation dynamically. The performance of the wall's contribution to cooling load reduction under different parameters has been investigated in previous publications. Aiming to be deployed into model predictive control and other optimization methods, simplified and reliable models for the developed wall and the room accommodating it are required. They are needed to characterize the properties and thermal response of both Empower Wall and building envelope, which form an essential component for accurate indoor temperature or cooling/heating demand prediction. In this study, simplified gray-box and regression models as well as machine learning model were developed and the performance of them were compared and analyzed.

Cui, Borui↗

Solvent Dynamics in Gel Polymer Electrolytes for Lithium–Sulfur Batteries

Li−sulfur (Li−S) batteries are promising as the next-generation energy storage technology but face challenges due to sluggish sulfur redox reaction (SRR) kinetics and a sulfur shuttling effect. While many studies have explored polycaprolactone (PCL)-based gel polymer electrolytes (GPEs) to address these issues, the influence of solvent properties, including dielectric constant (ϵ) and donor and acceptor numbers (DN and AN), remain unexplored despite their critical impact on performance and full-scale implementation. This study systematically compares three distinct electrolytes, dimethoxyethane (DME), dimethyl sulfoxide (DMSO), and tetraethylene glycol dimethyl ether (TEGDME)-paired with PCL, to correlate the varied solvent properties and their effects on the physical properties of the GPE, in terms of Li + transport and solvation, and polysulfide’s confinement. Among them, the DME-based GPE, with an intermediate DN, exhibited the lowest crystallinity (2.31%), highest ionic conductivity (7.49 mS/cm), and high Li + transference number (0.77). As a result, it achieved a specific capacity of 795 mAh/g sulfur and an average Coulombic efficiency of 97.5% after 120 cycles at C/5, outperforming its competitors. Operando Raman and UV−vis spectroscopy confirmed that PCL effectively confines long-chain polysulfides within its network, mitigating the shuttle effect and facilitating reversible polysulfide conversion. These findings demonstrate that GPEs with moderate DN values and balanced ϵ significantly enhance stability, extend cycle life, and improve rate performance for Li−S batteries. This work provides valuable insights into the design of advanced electrolyte systems for practical energy storage applications.

25 ENERGY STORAGE↗

A Targeted Attack For Enhancing Resiliency of Intelligent Intrusion Detection Modules in Energy Cyber Physical Systems

Abstract— Secure high-speed communication is required to ensure proper operation of complex power grid systems and prevent malicious tampering activities. In this paper, artificial neural networks with temporal dependency are introduced for false data identification and mitigation for broadcasted IEC 61850 SMV messages. The fast responses of such intelligent modules in intrusion detection make them suitable for time- critical applications, such as protection. However, care must be taken in selecting the appropriate intelligence model and decision criteria. As such, this paper presents a customizable malware script to sniff and manipulate SMV messages and demonstrates the ability of the malware to trigger false positives in the neural network’s response. The malware developed is intended to be as a vaccine to harden the intrusion detection system against data manipulation attacks by enhancing the neural network’s ability to learn and adapt to these attacks.

25 ENERGY STORAGE↗

Integrated photonic encoder for low power and high-speed image processing

Abstract Modern lens designs are capable of resolving greater than 10 gigapixels, while advances in camera frame-rate and hyperspectral imaging have made data acquisition rates of Terapixel/second a real possibility. The main bottlenecks preventing such high data-rate systems are power consumption and data storage. In this work, we show that analog photonic encoders could address this challenge, enabling high-speed image compression using orders-of-magnitude lower power than digital electronics. Our approach relies on a silicon-photonics front-end to compress raw image data, foregoing energy-intensive image conditioning and reducing data storage requirements. The compression scheme uses a passive disordered photonic structure to perform kernel-type random projections of the raw image data with minimal power consumption and low latency. A back-end neural network can then reconstruct the original images with structural similarity exceeding 90%. This scheme has the potential to process data streams exceeding Terapixel/second using less than 100 fJ/pixel, providing a path to ultra-high-resolution data and image acquisition systems.

47 OTHER INSTRUMENTATION↗

Stabilized Oxygen Vacancy Chemistry toward High-Performance Layered Oxide Cathodes for Sodium-Ion Batteries

Anionic redox has emerged as a transformative paradigm for high-energy layered transition-metal (TM) oxide cathodes, but it is usually accompanied by the formation of anionic redox-mediated oxygen vacancies (OVs) due to irreversible oxygen release. Additionally, external factor-induced OVs (defined as intrinsic OVs) also play a pivotal role in the physicochemical properties of layered TM oxides. However, an in-depth understanding of the interplay between intrinsic and anionic redox-mediated OVs and the corresponding regulation mechanism of the dynamic evolution of OVs is still missing. Herein, we disclose the strong interrelationship between these OVs and demonstrate that the presence of intrinsic OVs in the TMO2 layers could induce weak integrity of the TM-O frameworks and unlock additional diffusion paths to trigger the generation and migration of anionic redox-mediated OVs. Accordingly, an OV stabilization strategy is proposed by deliberately introducing high-valence Nb5+, which could serve as an important building block in anchoring the oxygen sublattice and preventing the formation of a percolating OV migration network, thereby suppressing the formation/diffusion of anionic redox-mediated OVs. Consequently, superb structural integrity and improved electrochemical performance with reversible anionic redox chemistry are achieved. This work advances our understanding of the role of OVs for developing high-performance energy storage systems utilizing anionic redox.

anionic redox↗

Nucleation and Crystal Growth in the Formation of Hierarchical Three-Dimensional Nanoarchitecture

This project is to obtain fundamental understandings of the operation of the Ostwald-Lussac (OL) Law and the oriented attachment (OA) mechanism in nucleation and growth of TiO2 nanorods (NR) via surface-reaction-limited pulsed chemical vapor deposition (SPCVD) process. Three-dimensional (3D) NW networks are a unique type of mesoporous architecture that offers extraordinary surface area density and superior transport properties of electrons, photons, and phonons. It is exceptionally promising for advancing the design and application of functional materials for photovoltaic devices, catalysts beds, hydrogen storage systems, sensors, and battery electrodes. Our group has developed the SPCVD technique by mimicking the mechanism of atomic layer deposition (ALD), which effectively decoupled the crystal growth from precursor concentration while retaining anisotropic 1D growth. For the first time, this technique realized a 3D NW architecture with ultrahigh density and achieved ~4-5 times enhancement on photo-conversion efficiency. Through the support of our current DOE award, we revealed the governing role of the OL Law in the nucleation stage of SPCVD. The formation of NR morphology in SPCVD was identified following the OA mechanism. We also discovered a unique vapor-phase Kirkendall effect in the evolution of tubular or core-shell NR structures. These understandings opened many new opportunities in designing 3D NW architectures with improved properties or new functionalities. Specifically, our accomplishments from this project include five aspects: (1) Observation of the Ostwald-Lussac Law in high-temperature ALD. (2) Observation of vapor-solid Kirkendall effect in ZnO-to-TiO2 nanostructure conversion. (3) Development of highly-efficient capillary photoelectrochemical (PEC) solar-fuel generation. (4) Development of efficient and stable electrochemical protections for black silicon PEC electrodes. (5) Development of doped polymers with tunable electrical properties. This project brings a new level of transformative knowledge on nucleation and crystal growth in the SPCVD NR growth processes. Specifically, quantification of the activation energy landscape guided by the OL law will allow us to establish a critical knowledge base of nucleation kinetics for SPCVD synthesis of NR branches on different material surfaces. Studying the OA kinetics will establish a transformative knowledge base to support this new crystal growth mechanism that can be applied to many functional material systems. This research will pave the road toward a capable and versatile synthesis technology for creating 3D hierarchical mesoscale structures.

36 MATERIALS SCIENCE↗

Launching a Research Archive for FUSRAP Site Records - 17057

The US Department of Energy Office of Legacy Management (LM) maintains a broad set of Formerly Utilized Sites Remedial Action Program (FUSRAP) document collections. The LM FUSRAP technical staff regularly needs access to documents contained in these record collections. The majority of the FUSRAP records are maintained in a large paper-based collection in the LM records storage facility. These records cover the period prior to 1997 in which DOE was responsible for the remediation efforts of FUSRAP sites. Other FUSRAP records are maintained as PDF files in LM's record keeping system. LM also maintains FUSRAP information in reference repositories in SharePoint directories and on network drives. The reference collection allows LM to keep abreast of active site remediation by the U.S. Army Corps of Engineers (USACE) since 1997. Searching these FUSRAP collections in its current arrangement can be time-consuming and can result in incomplete searches. In response, LM proactively developed the FUSRAP Document Information System (FDIS) to provide a rapid, single-point search and retrieval system to provide real-time access to reference copies of FUSRAP documents. Each entry in FDIS includes metadata listing the FUSRAP site, document title, date, source collection, and pertinent keywords. More significant entries (e.g., certification documents, site characterization reports, waste manifests) include a PDF scan of the entire document. Each PDF file is processed using an advanced optical character recognition (OCR) tool. The first significant content added to FDIS is 45,000 entries documenting remediation work performed primarily in the early 1990's by Bechtel National, Inc. With the entries in FDIS, technical staff will be able to search the collection by site, category and keyword to quickly locate precise required content. LM records staff are also adding records that document remediation and monitoring work at FUSRAP sites where cleanup activities are considered complete. Documents for completed FUSRAP sites will be processed before documents for sites currently being remediated. In the future, FDIS will be populated with information about FUSRAP sites with ongoing remediation work as they are released to LM stewardship. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Corrosion evaluation of metal foams in eutectic molten salts for high temperature latent heat energy storage application

High-temperature Thermal Energy Storage (TES) has drawn great attention as a technology that can increase the role and profitability of micro nuclear reactors in the decentralized clean energy market. Various research needs have been proposed by Idaho National Laboratory (INL) in "the Integrated Energy Systems: 2020 Roadmap" with the goal of utilizing the high temperature of 550 degrees or more generated in the 4th generation reactor to industrial purposes from the standpoint of integrated energy systems [1]. With the recent development of the 4th generation nuclear power plant, including micro nuclear reactor, there is a great deal of interest in researching how to efficiently couple a heat source to an industrial process through thermal processing. Texas A&M University (TAMU) and INL are currently collaborating to develop a novel latent heat storage design called HITB (Heat pipe-Integrated Thermal Battery). As part of the small-scale experimental demonstration research for HITB, a study for storage medium selection was conducted at TAMU. Eutectic salts have attracted interest as high-temperature heat storage medium for HITB. Especially, chloride molten salts and fluoride molten salts are considered promising candidates due to their high melting temperature, thermal stability, and high latent heat of fusion. Since eutectic salts have poor thermal conductivity in general, it is critical to distribute materials with high thermal conductivity evenly to facilitate the charging and discharging of heat. In this study, metal foam was considered in the HITB system to overcome the poor heat transfer characteristics of eutectic salts. In order to improve heat transfer, it is necessary to study materials with high thermal conductivity, corrosion resistant to molten salts, such as fins, extended surfaces, particles, microcapsulation, or foam structure. Porous structure of copper or aluminum can increase heat transfer area, form a thermal transfer network, and increase the effective thermal conductivity of thermal storage medium [2]. Since the melting temperature is required to be at least 450? in the current HITB design, various eutectic salts are being considered. FLiNaK and FLiBe, which are famous for fluoride salts, are good candidates, but due to the sharp rise in the price of LiF recently, they are excluded for economic reasons to be applied to large-capacity thermal energy storage. On the other hand, chloride salts are very cheap and easy to obtain, have a high melting temperature, and have a high latent heat of fusion, so they are recently in the spotlight as a phase change material. However, because of the hygroscopic nature of chloride salts, HCl gas due to impurity is easy to be released and is particularly vulnerable to corrosion. Chloride eutectic salts have been tested and suggested for metal alloys that are particularly resistant to corrosion, such as SS304, SS316, Hastelloy, Inconel 625, Incoloy 800H, which has low thermal conductivity, and is very expensive [3-6]. Porous materials with high thermal conductivity such as copper and aluminum have been tested for stability in fluids such as paraffin or water as metal foam or metal fin structures, but high temperature corrosion tests were not performed on various eutectic salts yet. Therefore, this study investigated the high temperature corrosion characteristics of metal alloys, such as C10100 foam, C10100 plate, 6101 alloy foam, and SS316 plate, while immersed in the candidate eutectic salts. A total of 20 tests for SS316 coupons and 10 tests for C10100 coupons were performed to ensure the repeatability of the present measurements. Since it is difficult to completely remove the salt inside metal foam due to the complex inner structure of the metal foam, only the surface condition was observed with a microscopy and scanning electron microscopy (SEM) image, except for measuring the corrosion rate and average mass loss.

25 ENERGY STORAGE↗

Inertia Estimation and Trend Analysis of the United States Power Grid Interconnections

The transition from conventional to modern power systems is causing an increase in integration of inverter-based resources (IBRs). This generally leads to a decrease in total system inertia, which in-turn increases the system’s rate-of-change-of-frequency (RoCoF) during disturbances. This poses a threat to the frequency stability of the system and may falsely trigger protective devices. To monitor system status and plan for integrating renewable energy sources like photovoltaic, wind, and energy storage systems, a realistic study of inertia estimation and analysis in the United States (US) over the past decade is needed. This paper uses field-measured phasor measurement unit (PMU) data collected throughout the US from 2013 to 2023 via the Frequency Monitoring Network (FNET/GridEye) operated by the University of Tennessee, Knoxville (UTK) and Oak Ridge National Laboratory (ORNL). The collected PMU frequency data is utilized to estimate the system inertia of the three US interconnections: Eastern, Western, and Texas. Various RoCoF time windows are investigated for estimating the inertia of each interconnection by maximizing the correlation coefficient between the measured RoCoF and power mismatch. The resulting inertia trends over the past decade show approximately a 6% decline in inertia in the Eastern interconnection, a 15% decline in inertia in the Western interconnection, and a 16% increase in inertia in Texas. Key insights into how inertia is changing amidst the complex energy landscape are extracted using the fuel mix trend data. This provides valuable information for future energy strategies and planning.

30 DIRECT ENERGY CONVERSION↗

Management of Risk and Uncertainty Through Optimized Co-Operation of Transmission Systems and Microgrids With Responsive Loads (Final Report)

The evolution of the power system to the reliable, efficient and sustainable system of the future will involve development of both demand- and supply-side technology and operations. Ambitious national and state-level goals around the decarbonization of electricity relies on the integration of very high levels of renewable resources, most of which are variable and intermittent. The use of demand response is an ideal approach to counterbalance the intermittency of renewable generation and brings the consumer into the spotlight. Though individual consumers are interconnected at the low-voltage distribution system, these resources are typically modeled as variables at the transmission network level. Demand-side participation cannot be leveraged effectively without explicitly including the distribution system dynamics in the optimization-based wholesale market operations. This project grew from a vision for co-optimized interaction of distribution systems, or microgrids, with the high-voltage transmission system. In this framework, microgrids encompass consumers, distributed renewables and storage. The energy management system of the lower voltage system (distribution or microgrid) can also sell (buy) excess (necessary) energy from the transmission system. Until recently, very little research had been conducted on the co-optimization of these two systems due to computational limitations. However, advances in computational capabilities, and the judicious use of decomposition methods and innovative approximation methods for high-dimension dynamic programming made this goal a viable objective for this project, leading to a fundamental shift in the ability to integrate and fully utilize demand-side resources. To this end, the modeling framework developed introduces a novel co-optimization framework, to include the operations of both the transmission and distribution systems (or microgrids) in operational decision making. This framework was used to analyze renewable and distributed generation along with responsive demand and to compare the capability of co-optimized systems to perform with higher levels of variable renewables. An ideal microgrid is defined as an electric entity capable of operating in both interconnected (with the high-voltage grid) and islanded mode. As such, the microgrid should incorporate generating units (traditional units and intermittent) and if needed, exchange power with the high-voltage grid. The interplay between the microgrid and high-voltage grid motivated the development of the co-optimization approach to ensure efficient performance of the interconnected network. Results show that the use of a bi-level optimization approach is an appropriate structure, capable of co-optimizing a transmission system with multiple distribution systems and microgrids. While increasing the number of connected systems provides increasing flexibility for renewables integration this can also the economic benefits to the low-voltage subsystems with each additional system connected. Comparison of a traditional single-level decision structure with the co-optimization approach illustrates a reduction in overall system cost under co-optimization, while specific cost allocations to transmission and distribution systems are changed.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Maximizing energy efficiency in wastewater treatment plants: A data-driven approach for waste heat recovery and an economic analysis using Organic Rankine Cycle and thermal energy storage

Maximizing energy efficiency through waste heat recovery (WHR) processes is crucial for sustainable and ecofriendly operations across multiple industries, notably in wastewater treatment plants (WWTPs). This work proposes a comprehensive approach for assessing the WHR feasibility in WWTPs, structured in two main objectives. Firstly, an Artificial Neural Network (ANN) model is developed to accurately predict WHR based on operational data, including biogas temperature, biogas pressure, daily production in kWh, and WHR values in kWh th . The second objective focuses on economically evaluating the WHR feasibility based on the estimated WHR values obtained by the ANN model, and then realistically assessing the economic feasibility of integrating the Organic Rankine Cycle (ORC) and Seasonal Thermal Energy Storage (STES) systems. With an application to the As-Samra WWTP located in Jordan, the developed ANN model demonstrates promising results in the validation phase, with a root mean square error (RMSE) of 2206 kWh/day, a mean absolute error (MAE) of 1674 kWh/day, and an R-squared (R 2 ) value of 68%. On the other hand, the economic analysis reveals that an optimal ORC system of 412.14 kW e capacity yields a Net Present Value (NPV) of 2.09 million US dollars, a Levelized Cost of Energy (LCOE) of 0.0749 USD/kWh, a Payback Period (PBP) of 4.8 years, and annual revenues of 428 kUSD. This work also investigates the techno-economic feasibility of integrating ORC-STES. Results indicate that the LCOE and PBP are highly affected by the ORC's capital cost, and integrating STES increases the LCOE to 0.0824 USD/kWh, rendering its integration with ORC infeasible. In conclusion, this study aims to advance the understanding and application of WHR in WWTPs, paving the way for more efficient and sustainable practices in the field.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Direct Prediction of Phonon Density of States With Euclidean Neural Networks

Abstract Machine learning has demonstrated great power in materials design, discovery, and property prediction. However, despite the success of machine learning in predicting discrete properties, challenges remain for continuous property prediction. The challenge is aggravated in crystalline solids due to crystallographic symmetry considerations and data scarcity. Here, the direct prediction of phonon density‐of‐states (DOS) is demonstrated using only atomic species and positions as input. Euclidean neural networks are applied, which by construction are equivariant to 3D rotations, translations, and inversion and thereby capture full crystal symmetry, and achieve high‐quality prediction using a small training set of examples with over 64 atom types. The predictive model reproduces key features of experimental data and even generalizes to materials with unseen elements, and is naturally suited to efficiently predict alloy systems without additional computational cost. The potential of the network is demonstrated by predicting a broad number of high phononic specific heat capacity materials. The work indicates an efficient approach to explore materials' phonon structure, and can further enable rapid screening for high‐performance thermal storage materials and phonon‐mediated superconductors.

97 MATHEMATICS AND COMPUTING↗