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202 records · Page 7

Feedback, physics, and forecasts: The emerging paradigm of machine learning-driven battery research

Machine learning (ML) is reshaping how we understand, predict, and optimize electrochemical systems. In batteries, ML accelerates discovery across chemistry, design, and operation by transforming massive experimental and simulated datasets into predictive, interpretable models. This review consolidates a decade of progress in ML-driven battery innovation, from early-cycle feature extraction to operando image analysis and physics-informed modeling. We categorize approaches by data domain and physical fidelity, emphasizing interpretable ML for diagnostics, reinforcement learning for control, and multi-objective optimization for lifetime extension strategies. Additionally, we demonstrate how integrated models accelerate discovery, reduce testing time, and guide sustainable design. Economic analyses furthermore illustrate how these advances can lower cost per cycle and improve circularity. Together, these developments chart a path toward self-optimizing, sustainable battery technologies.

artificial intelligence

CO2 Handling & Electrolyzer Efficiency Scaling Evaluator

CHEESE is an interactive dashboard tool for estimating the performance and material requirements of carbon dioxide electrolysis systems. It helps users evaluate how electrode area, current density, product selectivity, gas flow, cell voltage, and the number of cells in a stack affect system operation. The dashboard provides simple and advanced modes so it can be used for both quick estimates and more detailed engineering analysis. Users can estimate product output, carbon dioxide use, electrical power, electrode area, gas and liquid flow rates, energy efficiency, material cost per test, and the effect of scaling from a single cell to a multi cell stack. It also includes tools for examining carbon balance, equipment durability, component replacement, and changes in performance over time. This is intended to help both academia and industry researchers who are either getting into CO2 electrolysis on lab-scale or are trying to establish a larger footprint. CHEESE presents results through tables, charts, and simplified cell and stack diagrams. It is intended to support research planning, experimental design, comparison of operating conditions, and early stage scale up studies.

Prajapati, Aditya [Lawrence Livermore National Lab

Mesh-based multiphysics coupling acceleration for fusion neutronics through clustering for fusion blanket applications

Accurate modeling of particle transport within fusion blankets is essential for predicting performance metrics such as heat deposition and the tritium breeding ratio (TBR). However, high-fidelity coupling of thermal fluids from computational fluid dynamics (CFD) to neutronics simulations often incurs significant computational costs due to the complexity of surface intersection calculations in Monte Carlo codes. This paper presents an accelerated multiphysics coupling method for neutronics that utilizes hierarchical agglomerative clustering to map complex material property distributions to a neutronics model. Implemented within the fusion reactor design and assessment (FREDA) framework, the method leverages existing Python packages to automate the creation of clustered geometries for OpenMC. The approach is demonstrated on a sector model of an ARC-class tokamak with an immersion molten salt blanket, and an simple geometry with varying isotopic concentrations. Results show that the clustering method significantly reduces computational burden without compromising fidelity, providing a foundation for agile iteration of neutronics simulations involving multiple coupled material properties.

Bae, Jin Whan [ORNL] (ORCID:0000000326548907)

Large Scale Granulator Development Designed to Process Reclaimed Feedstock for Sustainable Additive Manufacturing Applications

This CRADA between UT-Battelle, LLC (Contractor) and re:3D Inc. (Participant) aims to develop an affordable large-scale granulator system designed to process reclaimed plastic feedstock suitable for additive manufacturing applications. The 24-month project will focus on testing, prototyping, and optimizing a shredder/granulator system. This project also focuses on the processing steps (e.g. washing and sorting) that can convert waste plastics, like discarded water bottles, into flake/granules which can be 3D printed using re:3D’s Fused Granular Fabrication (FGF) 3D printers. If successful, this could enable more localized 3D printing using recycled plastics, reducing waste and feedstock costs.

Wang, Peter [Oak Ridge National Laboratory (ORNL),

Are CO2 batteries ready for the grid? A cross-cutting deployment checklist

Metal-CO2 batteries have attracted considerable research interest in the past decade due to the utilization of the greenhouse CO2 gas. The low cost and abundance of CO2 feedstocks, together with high specific capacity metal anodes, make this technology a promising candidate for electricity-demanding data centers and grids. However, nonstandard data reporting, ambiguous hardware designs, and questionable cycling parameters have emerged as the field has grown. A clear checklist and standardized reporting format for research and development are urgently needed. Here, after carefully re-analyzing 15 Na-CO2 and 9 Li-CO2 studies, we propose a general checklist and a flowchart for CO2 batteries and related gas conversion systems. Specific performance values from a deployment-oriented perspective, based on commercial lithium iron phosphate batteries, are integrated into the list. We frame research and development efforts around grid-relevant outputs, including areal rate and capacity, cyclability, gas utilization, and safety. While illustrated for Na- and Li-CO2 cells, this framework is directly transferable to other CO2 batteries and air/oxygen batteries, helping align benchtop demonstrations with systematic metrics that ultimately govern future deployment.

Wu, Wenda [ORNL] (ORCID:000900033307687X)

Heavy Element Spectroscopy in the Gas Phase

Actinides are inherently unstable and undergo nuclear decay processes with a concurrent release of energy. Consequently, they are used for nuclear power generation, nuclear weapons, and nuclear medicine. However, the radioactive decay processes also pose significant technological problems for the safe treatment and storage of spent nuclear materials. Cost-effective extraction of the actinides is the key first step in the remediation of nuclear waste, but the appropriate chemical means have yet to be determined. Our present understanding of the chemistry of actinides is limited, with the role of the 5f electrons posing a set of particularly challenging questions. The work reported here is focused on the use of electronic spectroscopy to probe the bonding of small molecules in the gas phase that contains thorium or uranium. Analyses of these data, carried out within the framework of ligand field theory, reveal clear evidence that the 5f electrons are spectators that retain their atomic metal ion character.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Socio-Techno-Economic Feasibility of Deep Geothermal with EGS for Residential District Heating in the Northeastern United States

In this paper, we present socio-techno-economic simulation results for enhanced geothermal system (EGS) district heating systems in the northeastern United States. We applied the geospatial Distributed Geothermal Market Demand (dGeo) tool coupled with GEOPHIRES to evaluate the feasibility of geothermal deep direct-use, utilizing EGS reservoirs for providing residential heating with district heating systems. The results were combined with JEDI results to assess social impacts. Simulation results assuming doublet EGS reservoirs with target production temperature of 80 degrees C and newly constructed district heating systems indicate a wide range in system levelized cost of heat (LCOH) values ranging from ~$15/MMBtu to over $1,000/MMBtu, with most the attractive regions urban areas with high total thermal demand and high thermal demand density. We estimate about 60 GWth in potential installed capacity with LCOH values under $50/MMBtu and 100 GWth in potential capacity with LCOH values under $100/MMBtu, respectively.

15 GEOTHERMAL ENERGY

Lithium-Ion Battery Design for Grid-Scale Energy Storage App

A software that delivers parameters from energy storage system (ESS) to container, rack, module and single cell design, as well as data analysis on arbitrage energy and frequency regulation of ESS in different regions, has been developed. The Lithium-ion Battery Design for Grid-scale Energy Storage App V1.0 has the capability to output the system, module and cell design with the energy, power, capacity, group method, cost of single cell, and single cell test protocol which break down from input energy storage system data in different regions. The default chemistry of the battery is LiFePO4 and graphite. The energy density of the graphite/LiFePO 4 pouch cell ranges from 100 Wh/kg to 200 Wh/Kg in the software. Graphite/LiFePO 4 pouch cell (up to 1Ah in lab) manufacturing line is also built and can be used to evaluate the test protocol, moreover, for electrolyte evaluation in other ESMI seedling projects. The software enables rapid prototyping to accelerate energy storage research, development, and manufacturing.

Liu, Dianying [Pacific Northwest National Laborato

Maximizing Free Energy Gain

Maximizing the amount of work harvested from an environment is important for a wide variety of biological and technological processes, from energy-harvesting processes such as photosynthesis to energy storage systems such as fuels and batteries. Here, we consider the maximization of free energy—and by extension, the maximum extractable work—that can be gained by a classical or quantum system that undergoes driving by its environment. We consider how the free energy gain depends on the initial state of the system while also accounting for the cost of preparing the system. We provide simple necessary and sufficient conditions for increasing the gain of free energy by varying the initial state. We also derive simple formulae that relate the free energy gained using the optimal initial state rather than another suboptimal initial state. Finally, we demonstrate that the problem of finding the optimal initial state may have two distinct regimes, one easy and one difficult, depending on the temperatures used for preparation and work extraction. We illustrate our results on a simple model of an information engine.

Physics

Synthesis and Characterization of Soy Hull Biochar-Based Flexible Polyurethane Foam Composites

Flexible polyurethane foams are a diverse class of materials encompassing furniture, packaging, automotive, and many other industrial and domestic applications. Polyurethane foams are synthesized by the addition of polyols and isocyanates; however, the petroleum origin and toxic nature of isocyanates have driven many to look for more sustainable routes to production. Renewable fillers have emerged as a biobased resource to decrease the carbon footprint of this widely used polymeric material. In this study, soy hulls, as mass-produced, industrial by-products of soybean production, were used to create a biochar beneficial in the synthesis of flexible polyurethane foam composites. The addition of soy hull biochar was found to maintain the compression properties of foams at a decreasing isocyanate index, reducing the amount of isocyanates needed for production. In addition, the addition of biochar decreased the flammability of foams, important for many applications where consumer safety is important. The results point to the ability to create safer, more sustainable, and even more cost-effective polyurethane foams through the reduction in isocyanate use while maintaining the properties of this important class of polymers.

Chemistry

Quantum Circuits for the Preparation of Spin Eigenfunctions on Quantum Computers

The application of quantum algorithms to the study of many-particle quantum systems requires the ability to prepare wave functions that are relevant in the behavior of the system under study. Hamiltonian symmetries are important instruments used to classify relevant many-particle wave functions and to improve the efficiency of numerical simulations. In this work, quantum circuits for the exact and approximate preparation of total spin eigenfunctions on quantum computers are presented. Two different strategies are discussed and compared: exact recursive construction of total spin eigenfunctions based on the addition theorem of angular momentum, and heuristic approximation of total spin eigenfunctions based on the variational optimization of a suitable cost function. The construction of these quantum circuits is illustrated in detail, and the preparation of total spin eigenfunctions is demonstrated on IBM quantum devices, focusing on three- and five-spin systems on graphs with triangle connectivity.

97 MATHEMATICS AND COMPUTING

Effectively Considering the Distribution System in Integrated Resource Plans

While electricity planning practices vary by state and utility based on utility type and market structure, integrated resource planning (IRP) remains a prominent vehicle — even in states with centrally-organized wholesale electricity markets. IRP focuses on meeting forecasted long-term electricity needs. Typically, utilities have not considered impacts of design and operation of the low-voltage distribution network in IRP. With advanced capabilities of grid-edge technologies to generate and store electricity and provide load flexibility, and large utility investments in distribution systems, it's increasingly important to consider at least some distribution planning elements in IRP. This report considers the value proposition for doing so, such as reducing utility costs through resource co-optimization and strategic siting of grid-edge resources, and idenfities the most important touchpoints between planning for bulk power and distribution systems and provide a range of tactics for integrating these two processes.

Relf, Grace [Lawrence Berkeley National Laboratory

Exceedance Probabilities and Recurrence Intervals for Extended Power Outages in the United States

This report provides estimates of recurrence intervals and conditional exceedance probabilities for major power outages by U.S. region between 2015 and 2021. Additionally, we provide estimates for grid management, particularly outages caused by California’s public safety power shutoffs (PSPS), and for natural outages caused by major hurricanes. Outage recurrence intervals are the average number of years between outage events, and conditional exceedance probabilities are the likelihoods that a customer who experiences a major power outage will experience an outage exceeding a given duration. Major outage events are those that affect 10,000 or more customers, as defined by the U.S. Department of Energy’s (DOE’s) Electric Emergency Incident and Disturbance Report, called OE-417 (DOE 2020). These results can be applied to determine the likelihood of experiencing long-duration outages, which can be integrated into cost-benefit analyses of resilience solutions and broader energy resilience studies.

Ericson, Sean [National Renewable Energy Laborator

Computing the Critical Temperature of the Affine-Transformed $D=3$ Ising Model Using Masked Autoregressive Flow

The simple Ising model provides a rich environment to build and study lattice field theories. As part of an ongoing project to construct a conformal field theory (CFT) on an arbitrarily curved manifold, in this work we develop methods to measure the critical temperature $β_c$ of the affine-transformed Ising model on the face-centered cubic (FCC) lattice. The main challenge in this endeavor is finding a computationally efficient and accurate method of interpolating and extrapolating Monte Carlo observables with respect to coupling coefficients and temperature. Herein, we compare two such methods. A traditional statistical approach uses the multiple histogram (MH) method, while a newer machine learning approach uses a masked autoregressive flow (MAF) to estimate the underlying probability density function of a set of observables. While the MH method is specifically designed to interpolate and extrapolate Monte Carlo observables, we find that MAF is a viable alternative for measuring $β_c$ with a computational cost that scales more favorably. Furthermore, we comment on additional advantages of MAF relevant to our work, such as extrapolating in system volume.

Svenson, Kai [Texas U.]

Integrated optical frequency division for microwave and mmWave generation

Abstract The generation of ultra-low-noise microwave and mmWave in miniaturized, chip-based platforms can transform communication, radar and sensing systems 1–3 . Optical frequency division that leverages optical references and optical frequency combs has emerged as a powerful technique to generate microwaves with superior spectral purity than any other approaches 4–7 . Here we demonstrate a miniaturized optical frequency division system that can potentially transfer the approach to a complementary metal-oxide-semiconductor-compatible integrated photonic platform. Phase stability is provided by a large mode volume, planar-waveguide-based optical reference coil cavity 8,9 and is divided down from optical to mmWave frequency by using soliton microcombs generated in a waveguide-coupled microresonator 10–12 . Besides achieving record-low phase noise for integrated photonic mmWave oscillators, these devices can be heterogeneously integrated with semiconductor lasers, amplifiers and photodiodes, holding the potential of large-volume, low-cost manufacturing for fundamental and mass-market applications 13 .

Science & Technology - Other Topics

Nuclear Safety [Vol. 16, No. 2, March-April 1975]

Nuclear Safety covers significant developments in the field of nuclear safety. The scope is limited to topics relevant to the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, safety considerations in regard to the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 127 Quality Assurance in the Construction of Nuclear Power Plants by Sidney A. Bernsen, 141 1974 ANS Topical Meeting on Fast Reactor Safety by M. H. Fontana; CONTROL AND INSTRUMENTATION: 150 GBR-4 Protection Systems: Failures and Their Consequences by Peter Burgsmüller, J. J. Dekais, Albert Krähe, Raffaello Pignatelli, and Gottfried Vieider, 162 Standby Emergency Power Systems. Part 2—The Later Plants by E. W. Hagen; PLANT SAFETY FEATURES: 180 Radiotoxic Hazard Measure for Buried Solid Radioactive Waste by J. Hamstra, 190 The Thirteenth AEC Air-Cleaning Conference by D. W. Moeller, D. W. Underhill, and M. W. First, 203 Book Review: Nuclear Criticality Safety; CONSEQUENCES OF EFFLUENT RELEASE: 204 Environmental Radiation Effects of Nuclear Facilities in New York State by M. S. Terpilak and B. L. Jorgensen, 222 Book Review: Thermal Ecology; OPERATING EXPERIENCES: 223 Set-Point Drift in Nuclear Power-Plant Safety-Related Instrumentation Adapted by the Nuclear Safety Staff, 224 Diesel-Generator Operating Experience at Nuclear Power Plants, 227 Summary of Operating U. S. Power Reactors as of Jan. 1, 1975, 232 Selected Safety-Related Occurrences Reported in November and December 1974 Compiled by William R. Casto, 235 Recent Occurrences at Nuclear Reactors and Their Causes Compiled by William R. Casto; CURRENT EVENTS: 243 General Administrative Activities Compiled by Wm. B. Cottrell, 251 Action on Power-Reactor Projects Undergoing Regulatory Review or Consideration Compiled by Wm. B. Cottrell, 266 Action on Nonreactor Projects Undergoing Regulatory Review or Consideration Compiled by Wm. B Cottrell, 268 Proposed Rule Changes as of Jan. 1, 1975; MISCELLANY: 149 Course in Italy on High-Energy Radiation Dosimetry and Protection (Announcement), 250 Course at Northwestern on Safety of Light-Water-Cooled Nuclear Power Plants (Announcement), 266 Symposium of the Combined Effects on the Environment of Radioactive, Chemical, and Thermal Releases from the Nuclear Industry (Announcement), 271 Short Course on Engineering for Extreme Winds and Tornadoes (Announcement), 272 Three 1-Week Courses at MIT on Nuclear Power-Reactor Safety (Announcement), 272 Harvard University Short Courses (Announcement).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS

Biochemical approaches for synthesis of performance-advantaged polymers from lignocellulosic biomass

Lignocellulose is an abundant renewable feedstock for production of sustainable fuels, chemicals, and materials. The structural complexity of lignocellulose provides key material properties and inspires the design of advanced materials. However, this same complexity also presents challenges for conversion of lignocellulosic biomass into new materials with consistent properties. Conventional physical and chemical strategies for valorization of biomass to new materials are often limited by the technical challenges of precisely manipulating complex feedstocks, sensitivity to feedstock variability, and associated costs. In contrast, biological approaches are capable of selectively manipulating complex architectures under mild conditions. Recent advances demonstrate the potential of biological and hybrid biochemical methods to tailor biomass-derived polymers and generate new materials. This review provides an overview of biological strategies to valorize lignocellulosic biomass into novel materials, highlighting approaches for in planta engineering, biochemical modification of natural biomass polymers, microbial funneling of deconstructed biomass, and direct biosynthesis of novel polymers. In combination, these approaches open new avenues for the synthesis of performance-advantaged materials from lignocellulosic biomass.

Qian, Liangyu [ORNL] (ORCID:0009000212029938)

Tensorized Interior Radiative Heat Transfer for a Scalable and Calibrated Building Energy Simulator

Building energy simulation is a critical tool for developing and testing advanced control strategies, such as Reinforcement Learning (RL), to provide demand flexibility and affordable energy costs. The recently introduced Smart Buildings Control Suite (sbsim) provides a lightweight, scalable, and data-calibrated simulation environment based on a 2D finite-difference model. However, the initial model primarily focused on conductive and convective heat transfer, neglecting the significant impact of long-wave radiative heat exchange between interior surfaces. This paper presents a significant extension to the sbsim framework by incorporating a physically-grounded model for interior radiative heat transfer. Our primary contribution is the development and integration of a fully tensorized radiative heat transfer module, which preserves the computational efficiency and scalability of the original simulator. This was achieved by developing a pipeline for view factor calculation, including an algorithm to identify directly seeing surfaces within complex floor plans, and formulating the net radiation equations for efficient execution on modern hardware accelerators. We validate the numerical accuracy of our tensorized implementation by comparing its results against a traditional iterative approach, demonstrating identical outcomes. This enhancement increases the physical fidelity of sbsim, enabling more accurate training of RL agents for building energy optimization.

Ham, Sang woo