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Foundation models for atomistic simulation of chemistry and materials

Conventional computational methods for modeling chemical and materials systems are limited by system size and timescale, forcing a trade-off between quantum-mechanical accuracy and the sampling needed for realistic observables. Large language and vision foundation models — pre-trained on massive datasets using transformer architectures — have revolutionized many fields. It is thus interesting to ask whether a foundation model — subject to suitable data, parameter scaling and training — could enable learned simulations of chemistry and materials. Here, in this study, we review the field of machine-learned interatomic potentials (MLIPs) and posit that scaling up large and diverse chemical and materials datasets and highly expressive architectures using advanced training strategies should result in models that are: more efficient, transferable, robust to out-of-distribution scenarios, and easier to fine-tune to a variety of downstream physical observables than models trained from scratch on small datasets corresponding to specific, targeted atomistic simulation tasks. We provide specific criteria for creating such large-scale MLIP foundation models, coordinated strategies for their development, evaluation and deployment, and highlight potential emergent capabilities that could transform predictive simulations in chemistry and materials science and accelerate discovery across multiple technological domains.

Yuan, Eric C.-Y. [University of California, Berkel↗

Multiscale molecular simulations for the solvation of lignin in ionic liquids

Lignin, the second most abundant biopolymer found in nature, has emerged as a potential source of sustainable fuels, chemicals, and materials. Finding suitable solvents, as well as technologies for efficient and affordable lignin dissolution and depolymerization, are major obstacles in the conversion of lignin to value-added products. Certain ionic liquids (ILs) are capable of dissolving and depolymerizing lignin but designing and developing an effective IL for lignin dissolution remains quite challenging. To address this issue, the COnductor-like Screening MOdel for Real Solvents (COSMO-RS) model was used to screen 5670 ILs by computing logarithmic activity coefficients (ln(γ)) and excess enthalpies (H E ) of lignin, respectively. Based on the COSMO-RS computed thermodynamic properties (ln(γ) and H E ) of lignin, anions such as acetate, methyl carbonate, octanoate, glycinate, alaninate, and lysinate in combination with cations like tetraalkylammonium, tetraalkylphosphonium, and pyridinium are predicted to be suitable solvents for lignin dissolution. The dissolution properties such as interaction energy between anion and cation, viscosity, Hansen solubility parameters, dissociation constants, and Kamlet–Taft parameters of selected ILs were evaluated to assess their propensity for lignin dissolution. Furthermore, molecular dynamics (MD) simulations were performed to understand the structural and dynamic properties of tetrabutylammonium [TBA] + -based ILs and lignin mixtures and to shed light on the mechanisms involved in lignin dissolution. MD simulation results suggested [TBA] + -based ILs have the potential to dissolve lignin because of their higher contact probability and interaction energies with lignin when compared to cholinium lysinate.

09 BIOMASS FUELS↗

CRISPR/Cas9-based gene activation and base editing in Populus

The genus Populus has long been used for environmental, agroforestry and industrial applications worldwide. Today Populus is also recognized as a desirable crop for biofuel production and a model tree for physiological and ecological research. As such, various modern biotechnologies, including CRISPR/Cas9-based techniques, have been actively applied to Populus for genetic and genomic improvements for traits such as increased growth rate and tailored lignin composition. However, CRISPR/Cas9 has been primarily used as the active Cas9 form to create knockouts in the hybrid poplar clone “717-1B4” (P. tremula x P. alba clone INRA 717-1B4). Alternative CRISPR/Cas9-based technologies, e.g. those involving modified Cas9 for gene activation and base editing, have not been evaluated in most Populus species for their efficacy. Here we employed a deactivated Cas9 (dCas9)-based CRISPR activation (CRISPRa) technique to fine-tune the expression of two target genes, TPX2 and LecRLK-G which play important roles in plant growth and defense response, in hybrid poplar clone “717-1B4” and poplar clone “WV94” (P. deltoides “WV94”), respectively. We observed that CRISPRa resulted in 1.2-fold to 7.0-fold increase in target gene expression through transient expression in protoplasts and Agrobacterium-mediated stable transformation, demonstrating the effectiveness of dCas9-based CRISPRa system in Populus. In addition, we applied Cas9 nickase (nCas9)-based cytosine base editor (CBE) to precisely introduce premature stop codons via C-to-T conversion, with an efficiency of 13%–14%, in the target gene PLATZ which encodes a transcription factor involved in plant fungal pathogen response in hybrid poplar clone “717-1B4”. Overall, we showcase the successful application of CRISPR/Cas-based technologies in gene expression regulation and precise gene engineering in two Populus species, facilitating the adoption of emerging genome editing tools in woody species.

59 BASIC BIOLOGICAL SCIENCES↗

Large-area low-noise flexible organic photodiodes for detecting faint visible light

Silicon photodiodes are the foundation of light-detection technology; yet their rigid structure and limited area scaling at low cost hamper their use in several emerging applications. A detailed methodology for the characterization of organic photodiodes based on polymeric bulk heterojunctions reveals the influence that charge-collecting electrodes have on the electronic noise at low frequency. The performance of optimized organic photodiodes is found to rival that of low-noise silicon photodiodes in all metrics within the visible spectral range, except response time, which is still video-rate compatible. Solution-processed organic photodiodes offer several design opportunities exemplified in a biometric monitoring application that uses ring-shaped, large-area, flexible, organic photodiodes with silicon-level performance.

47 OTHER INSTRUMENTATION↗

U.S. Efforts in Support of Examinations at Fukushima Daiichi - November 2022 Meeting Notes and Information Request Status

Information obtained from Fukushima Daiichi Nuclear Power Station (Daiichi) is required to inform future Decontamination and Decommissioning (D&D) activities, improving the ability of the Tokyo Electric Power Company Holdings, Incorporated (TEPCO Holdings) to characterize potential hazards and to ensure the safety of workers involved with cleanup activities. This information also has important implications for the safety and operation of U.S. commercial nuclear power plants. This document summarizes results from the Fiscal Year 2023 (FY2023) U.S. effort to review Daiichi information and extract insights to enhance the safety of existing and future nuclear power plant designs. This U.S. effort, which was initiated in 2014 by the Department of Energy Office of Nuclear Energy, is completed by a group of experts in reactor safety and plant operations that identify examination needs and evaluate recent Daiichi examination data to address these needs. Fukushima-related information and associated discussions during these meetings benefit operating, new, and advanced reactors. Significant safety insights have been and are continuing to be obtained in several areas: system and component performance, radionuclide surveys and sampling, debris end-state location, combustible gas effects, and plant operations and maintenance. In addition to reducing uncertainties related to severe accident modeling progression, these insights have and continue to be used to update guidance for severe accident prevention, mitigation, and emergency planning. Furthermore, Daiichi-related activities, such as code modeling improvements and analysis, testing, and new technology deployment efforts, have the potential to offer additional benefits to the operating fleet and new LWR and non-LWR designs. U.S. evaluations of obtained examination information and input regarding future Daiichi examinations are of interest to several organizations within Japan. Since its inception, the U.S. has provided consensus input for high priority time-sequenced examination tasks and supporting research activities. In their Mid-to-Long-term Examination Plan for 1F investigations, TEPCO included all remaining U.S. consensus information requests and additional information requests they identified. TEPCO periodically provides reports on the status of these requests (reflecting D&D priorities, new insights from investigations, and new technologies that become available). Hence, U.S. experts agreed that it was appropriate for TEPCO to track and prioritize these information requests as D&D progresses. U.S. experts will continue to review and comment on the information obtained from examinations and, as needed, provide additional details and relevant background material to support future examinations. As documented in this report, several other items, such as additional details on information requests pertaining to ex-vessel examinations, relevant references from prior research, additional documents to provide insights regarding recent investigation findings, and reviews of recently released documents, were agreed to during the FY2023 meeting.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

U.S. Efforts in Support of Examinations at Fukushima Daiichi - September 2024 Meeting Notes

Information obtained from Fukushima Daiichi Nuclear Power Station (Daiichi) is required to inform future Decontamination and Decommissioning (D&D) activities, improving the ability of the Tokyo Electric Power Company Holdings, Incorporated (TEPCO Holdings) to characterize potential hazards and to ensure the safety of workers involved with cleanup activities. This information also has important implications for the safety and operation of U.S. Commercial nuclear power plants. A collaborative U.S. and Japanese effort was initiated in 2014 by the Department of Energy Office of Nuclear Energy to identify Daiichi examination needs and evaluate recent Daiichi examination data to address these needs. This document summarizes information presented at and findings, action items, and recommendations by U.S. and Japanese experts in reactor safety and plant operations during the September 2024 Forensics Effort meeting. Significant safety insights were obtained in several areas: system and component performance, radionuclide surveys and sampling, debris end-state location, combustible gas effects, and plant operations and maintenance. In addition to reducing uncertainties and knowledge gaps in severe accident modeling progression, these insights continue to be used to assess whether additional updates are needed in guidance for severe accident prevention, mitigation, and emergency planning. Furthermore, Daiichi-related activities, such as code modeling improvements and analysis, testing, and new technology deployment efforts, have the potential to offer additional safety and economic benefits to the operating fleet and new light water reactor (LWR) and non-LWR designs.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Digital Assurance for Grid Reliability in the Era of Large Load Growth

The rapid expansion of large electric loads is reshaping the operational and regulatory landscape of the U.S. electric grid. These facilities are reaching new scales of expansion, now exceeding a gigawatt per site, and their highly sensitive, digitally driven behaviors introduce new reliability risks. Recent grid events, including large load losses following routine transmission disturbances, highlight the consequences of limited ride-through capability, inconsistent protection settings, inadequate modeling, and lack of behind-the-meter visibility. Parallels to earlier integration challenges of new grid technologies suggest that the grid’s existing processes, standards, and interconnection frameworks are no longer adequate for emerging large loads. This brief synthesizes lessons from the evolution of inverter-based resource regulation and applies them to large-load integration. It identifies critical gaps in modeling accuracy, interconnection processes, performance standards, and compliance mechanisms. Technical recommendations emphasize advanced monitoring, improved modeling, coordinated communication protocols, modernized substations, and structured behind-the-meter control schemes. Collectively, these measures provide a roadmap to maintain bulk power system reliability while enabling the continued growth of large, electrified digital infrastructure.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

Heterogeneous Multi-Domain Dataset Synthesis to Facilitate Privacy and Risk Assessments in Smart City IoT

The emergence of the Smart Cities paradigm and the rapid expansion and integration of Internet of Things (IoT) technologies within this context have created unprecedented opportunities for high-resolution behavioral analytics, urban optimization, and context-aware services. However, this same proliferation intensifies privacy risks, particularly those arising from cross-modal data linkage across heterogeneous sensing platforms. To address these challenges, this paper introduces a comprehensive, statistically grounded framework for generating synthetic, multimodal IoT datasets tailored to Smart City research. The framework produces behaviorally plausible synthetic data suitable for preliminary privacy risk assessment and as a benchmark for future re-identification studies, as well as for evaluating algorithms in mobility modeling, urban informatics, and privacy-enhancing technologies. As part of our approach, we formalize probabilistic methods for synthesizing three heterogeneous and operationally relevant data streams—cellular mobility traces, payment terminal transaction logs, and Smart Retail nutrition records—capturing the behaviors of a large number of synthetically generated urban residents over a 12-week period. The framework integrates spatially explicit merchant selection using K-Dimensional (KD)-tree nearest-neighbor algorithms, temporally correlated anchor-based mobility simulation reflective of daily urban rhythms, and dietary-constraint filtering to preserve ecological validity in consumption patterns. In total, the system generates approximately 116 million mobility pings, 5.4 million transactions, and 1.9 million itemized purchases, yielding a reproducible benchmark for evaluating multimodal analytics, privacy-preserving computation, and secure IoT data-sharing protocols. To show the validity of this dataset, the underlying distributions of these residents were successfully validated against reported distributions in published research. We present preliminary uniqueness and cross-modal linkage indicators; comprehensive re-identification benchmarking against specific attack algorithms is planned as future work. This framework can be easily adapted to various scenarios of interest in Smart Cities and other IoT applications. By aligning methodological rigor with the operational needs of Smart City ecosystems, this work fills critical gaps in synthetic data generation for privacy-sensitive domains, including intelligent transportation systems, urban health informatics, and next-generation digital commerce infrastructures.

IoT↗

Harnessing Ultra-Intense Long-Wave Infrared Lasers: New Frontiers in Fundamental and Applied Research

This review explores two main topics: the state-of-the-art and emerging capabilities of high-peak-power, ultrafast (picosecond and femtosecond) long-wave infrared (LWIR) laser technology based on CO2 gas laser amplifiers, and the current and advanced scientific applications of this laser class. The discussion is grounded in expertise gained at the Accelerator Test Facility (ATF) of Brookhaven National Laboratory (BNL), a leading center for ultrafast, high-power CO2 laser development and a National User Facility with a strong track record in high-intensity physics experiments. We begin by reviewing the status of 9–10 μm CO2 laser technology and its applications, before exploring potential breakthroughs, including the realization of 100 terawatt femtosecond pulses. These advancements will drive ongoing research in electron and ion acceleration in plasma, along with applications in secondary radiation sources and atmospheric energy transport. Throughout the review, we highlight how wavelength scaling of physical effects enhances the capabilities of ultra-intense lasers in the LWIR spectrum, expanding the frontiers of both fundamental and applied science.

43 PARTICLE ACCELERATORS↗

Emerging magnetic materials for electric vehicle drive motors

Abstract Increasing demand for electric vehicles (EVs) is increasing demand for the permanent magnets that drive their motors, as approximately 80% of modern EV drivetrains rely on high-performance permanent magnets to convert electricity into torque. In turn, these high-performance permanent magnets rely on rare earth elements for their magnetic properties. These elements are “critical” (i.e., at risk of limiting the growth of renewable energy technologies such as EVs), which motivates an exploration for alternative materials. In this article, we overview the relevant fundamentals of permanent magnets, describe commercialized and emerging materials, and add perspective on future areas of research. Currently, the leading magnetic material for EV motors is Nd 2 Fe 14 B, with samarium-cobalt compounds (SmCo 5 and Sm 2 Co 17 ) providing the only high-performing commercialized alternative. Emerging materials that address criticality concerns include Sm 2 Fe 17 N 3 , Fe 16 N 2 , and the L1 0 structure of FeNi, which use lower cost elements that produce similar magnetic properties. However, these temperature-sensitive materials are incompatible with current metallurgical processing techniques. We provide perspective on how advances in low-temperature synthesis and processing science could unlock new classes of high-performing magnetic materials for a paradigm shift beyond rare earth-based magnets. In doing so, we explore the question: What magnetic materials will drive future EVs? Graphical abstract

33 ADVANCED PROPULSION SYSTEMS↗

Emerging magnetic materials for electric vehicle drive motors [Slides]

Increasing demand for electric vehicles (EVs) is increasing demand for the permanent magnets that drive their motors, as approximately 80% of modern EV drivetrains rely on high-performance permanent magnets to convert electricity into torque. In turn, these high-performance permanent magnets rely on rare earth elements for their magnetic properties. These elements are "critical" (i.e., at risk of limiting the growth of renewable energy technologies such as EVs), which motivates an exploration for alternative materials. In this article, we overview the relevant fundamentals of permanent magnets, describe commercialized and emerging materials, and add perspective on future areas of research. Currently, the leading magnetic material for EV motors is Nd 2 Fe 14 B, with samarium-cobalt compounds (SmCo 5 and Sm 2 Co 17 ) providing the only high-performing commercialized alternative. Emerging materials that address criticality concerns include Sm 2 Fe 17 N 3 , Fe 16 N 2 , and the L10 structure of FeNi, which use lower cost elements that produce similar magnetic properties. However, these temperature-sensitive materials are incompatible with current metallurgical processing techniques. We provide perspective on how advances in low-temperature synthesis and processing science could unlock new classes of high-performing magnetic materials for a paradigm shift beyond rare earth-based magnets. In doing so, we explore the question: What magnetic materials will drive future EVs?

42 ENGINEERING↗

Nuclear Safety [Vol. 37, No. 3, July-September 1996]

Nuclear Safety is a journal that covers significant issues in the field of nuclear safety. Its primary scope is safety in the design, construction, operation, and decommissioning of nuclear power reactors worldwide and the research and analysis activities that promote this goal, but it also encompasses the safety aspects of the entire nuclear fuel cycle, including fuel fabrication, spent-fuel processing and handling, and nuclear waste disposal, the handling of fissionable materials and radioisotopes, and the environmental effects of all these activities. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS 181 Attitudes and Practices Regarding Disposal of Liquid Nuclear Waste at Clinton Laboratories in the Very Early Years: A Historical Analysis, S. H. Stow; 202 Off-Site Nuclear Emergency Management in Germany Under the Auspices of the Federal Structure, A. Bayer, S. Bittner, and H. Korn; DESIGN FEATURES: 211 Twenty-Fourth DOE/NRC Nuclear Air-Cleaning and Treatment Conference, R. R. Bellamy, J. J. Hayes, R. D. Porco, and M. W. First; OPERATING EXPERIENCES: 222 Explosion in the Tomsk-7 Reprocessing Plant on April 6, 1993, M. L. Hyder, W. G. Lussie, and F. E. Witmer; 234 Reactor Shutdown Experience, Compiled by J. W. Cletcher; U.S. NUCLEAR REGULATORY COMMISSION INFORMATION AND ANALYSES: 237 Assessment of Spent Fuel Cooling, J. G. Ibarra, W. R. Jones, G. F. Lanik, H. L. Ornstein, and S. V. Pullani; RECENT DEVELOPMENTS: 256 Reports, Standards, and Safety Guides, D. S. Queener; 260 Proposed Rule Changes as of June 30, 1996; ANNOUNCEMENTS: 210 Tennessee Industries Week; 221 21st International Symposium on The Scientific Basis for Nuclear Waste Management; 259 IAEA Programme of Scientific Meetings for 1997; 270 PSAM 4 (International Conference on Probabilistic Safety Assessment and Management); 265 The Authors; 268 Errata.

05 NUCLEAR FUELS↗

The 2022 magneto-optics roadmap

Abstract Magneto-optical (MO) effects, viz. magnetically induced changes in light intensity or polarization upon reflection from or transmission through a magnetic sample, were discovered over a century and a half ago. Initially they played a crucially relevant role in unveiling the fundamentals of electromagnetism and quantum mechanics. A more broad-based relevance and wide-spread use of MO methods, however, remained quite limited until the 1960s due to a lack of suitable, reliable and easy-to-operate light sources. The advent of Laser technology and the availability of other novel light sources led to an enormous expansion of MO measurement techniques and applications that continues to this day (see section 1). The here-assembled roadmap article is intended to provide a meaningful survey over many of the most relevant recent developments, advances, and emerging research directions in a rather condensed form, so that readers can easily access a significant overview about this very dynamic research field. While light source technology and other experimental developments were crucial in the establishment of today’s magneto-optics, progress also relies on an ever-increasing theoretical understanding of MO effects from a quantum mechanical perspective (see section 2), as well as using electromagnetic theory and modelling approaches (see section 3) to enable quantitatively reliable predictions for ever more complex materials, metamaterials, and device geometries. The latest advances in established MO methodologies and especially the utilization of the MO Kerr effect (MOKE) are presented in sections 4 (MOKE spectroscopy), 5 (higher order MOKE effects), 6 (MOKE microscopy), 8 (high sensitivity MOKE), 9 (generalized MO ellipsometry), and 20 (Cotton–Mouton effect in two-dimensional materials). In addition, MO effects are now being investigated and utilized in spectral ranges, to which they originally seemed completely foreign, as those of synchrotron radiation x-rays (see section 14 on three-dimensional magnetic characterization and section 16 on light beams carrying orbital angular momentum) and, very recently, the terahertz (THz) regime (see section 18 on THz MOKE and section 19 on THz ellipsometry for electron paramagnetic resonance detection). Magneto-optics also demonstrates its strength in a unique way when combined with femtosecond laser pulses (see section 10 on ultrafast MOKE and section 15 on magneto-optics using x-ray free electron lasers), facilitating the very active field of time-resolved MO spectroscopy that enables investigations of phenomena like spin relaxation of non-equilibrium photoexcited carriers, transient modifications of ferromagnetic order, and photo-induced dynamic phase transitions, to name a few. Recent progress in nanoscience and nanotechnology, which is intimately linked to the achieved impressive ability to reliably fabricate materials and functional structures at the nanoscale, now enables the exploitation of strongly enhanced MO effects induced by light–matter interaction at the nanoscale (see section 12 on magnetoplasmonics and section 13 on MO metasurfaces). MO effects are also at the very heart of powerful magnetic characterization techniques like Brillouin light scattering and time-resolved pump-probe measurements for the study of spin waves (see section 7), their interactions with acoustic waves (see section 11), and ultra-sensitive magnetic field sensing applications based on nitrogen-vacancy centres in diamond (see section 17). Despite our best attempt to represent the field of magneto-optics accurately and do justice to all its novel developments and its diversity, the research area is so extensive and active that there remains great latitude in deciding what to include in an article of this sort, which in turn means that some areas might not be adequately represented here. However, we feel that the 20 sections that form this 2022 magneto-optics roadmap article, each written by experts in the field and addressing a specific subject on only two pages, provide an accurate snapshot of where this research field stands today. Correspondingly, it should act as a valuable reference point and guideline for emerging research directions in modern magneto-optics, as well as illustrate the directions this research field might take in the foreseeable future.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Exposure, health effects, sensing, and remediation of the emerging PFAS contaminants – Scientific challenges and potential research directions

Per- and polyfluoroalkyl substances (PFAS) make up a large group of persistent anthropogenic chemicals which are difficult to degrade and/or destroy. PFAS are an emerging class of contaminants, but little is known about the long-term health effects related to exposure. In addition, technologies to identify levels of contamination in the environment and to remediate contaminated sites are currently inadequate. In this opinion-type discussion paper, a team of researchers from the University of Connecticut and the University at Albany discuss the scientific challenges in their specific but intertwined PFAS research areas, including rapid and low-cost detection, energy-saving remediation, the role of T helper cells in immunotoxicity, and the biochemical and molecular effects of PFAS among community residents with measurable PFAS concentrations. Potential research directions that may be employed to address those challenges and improve the understanding of sensing, remediation, exposure to, and health effects of PFAS are then presented. Here, we hope our account of emerging problems related to PFAS contamination will encourage a broad range of scientific experts to bring these research initiatives addressing PFAS into play on a national scale.

Challenges and research directions↗

Correlated Signal Analysis for Nuclear Emergency Response

In the context of nuclear emergency response (NER) scenarios, the critical task is to quickly identify a "black box" as a potential threat, as failing to do so could have catastrophic consequences. Techniques for passive assay of a “black box” typically include gamma-ray spectroscopy and neutron coincidence/multiplicity counting. However, there are significant challenges associated with these type of measurements. First, the presence of intervening materials can obstruct the detection of relevant signatures. Second, the presence of strong non-fission neutron sources, like (α, n) emitters, can add uncertainties to the neutron multiplicity analysis. In our LDRD-MFR Phase II work, a portable neutron spectrometer, called the Compact Fast Neutron Spectrometer (CFNS), was developed for NER applications. The CFNS system leverages information-rich neutron energy spectra to derive actionable information. This work investigates the use of correlated signals in the CFNS from special nuclear material (SNM) to characterize physical properties, such as intervening shielding material and fission to non-fission neutron contributions. In this report, the Phase II results from bulk SNM measurements at the National Criticality Experiments Research Center (NCERC) are briefly discussed along with the motivation for this work. Afterwards, simulations using the MCNPX-PoliMi transport code are discussed, which were used to expand our correlated signal study. Signal triggered analysis for neutron multiplicity extraction will also be discussed. Lastly, the use neutron-photon correlations for intervening material identification are shown, along with the use of correlated neutron energy spectra for α-ratio extraction.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

3D printing of lignin: Challenges, opportunities and roads onward

Abstract As the second most abundant biopolymer on earth, and as a resource recently becoming more available in separated and purified form on an industrial scale due to the development of new isolation technologies, lignin has a key role to play in transitioning our material industry towards sustainability. Additive manufacturing (AM), the most efficient‐material processing technology to date, has likewise made great strides to promote sustainable industrial solutions to our needs in engineered products. Bringing lignin research to AM has prompted the emergence of the nascent “lignin 3D printing” field. This review presents the recent state of art of this promising field and highlights its challenges and opportunities. Following a review of the industrial availability, molecular attributes, and associated properties of technical lignins, we review R&D efforts at implementing lignin systems in extrusion‐based and stereolithography (SLA) printing technologies. Doing so underlines the adage of lignin research that “all lignins are not created equal,” and stresses the opportunity nested in this chemical diversity created mostly by differences in isolation conditions to molecularly select and tune the attributes of technical lignin systems towards desirable properties, be it by modification or polymer blending. Considering the AM design process in its entirety, we finally propose onward routes to bring the full potential to this emerging field. We hope that this review can help promote the unique value and overdue industrial role of lignin in sustainable engineered materials and products.

36 MATERIALS SCIENCE↗

Polymers in direct air capture: a mini review

The urgent need to mitigate climate change has intensified interest in direct air capture (DAC) technology, which targets extracting carbon dioxide (CO2) directly from the atmosphere. Among the various sorbents used in DAC, polymers have emerged as a promising solution, either as active sorbents or as structural supports for active DAC materials, due to their customizable properties, scalability and low cost. This mini-review investigates the latest trends in polymer-based materials for DAC and identifies critical research gaps, such as the need for thorough lifecycle assessments and in-depth studies on the degradation of polymeric materials. It also outlines future directions, emphasizing the importance of developing cost-effective, scalable and durable polymers that can perform efficiently across diverse climatic conditions, including the unique challenges presented by cold weather regions abundant in renewable energy. This mini-review aims to inform ongoing efforts in the design and utilization of polymeric sorbents, providing insights that could guide the development of economically viable and environmentally sustainable DAC technologies.

climate change↗

Reducing Data Center Peak Cooling Demand and Energy Costs with Underground Thermal Energy Storage (UTES)

By recent estimates, data center energy demands are projected to consume between 6.7% and 12% of U.S. annual electricity generation by the year 2028, driven primarily by expanded demands from cloud services, big data analytics, and Artificial Intelligence (AI) (Shehabi et al., 2024). As much as 40% of data center total energy consumption are loads associated with the site infrastructure cooling systems, and these are often highly water consumptive (Aljbour et al., 2024). For energy system planners, this presents significant challenges to meeting and managing the anticipated loads, and especially the peak loads of projected data center deployments. Geothermal technologies offer two unique solutions to these challenges: 1) by serving loads through the deployment of new conventional and/or next-generation geothermal power technologies such as EGS and 2) through an often-overlooked opportunity to reduce data center peak cooling loads. The latter is the focus of this paper which explores Cold Underground Thermal Energy Storage ("Cold UTES") as an emerging industrial-scale geothermal cooling solution. This cooling solution is energy efficient, non-water-consumptive, and utilizes long duration energy storage (LDES) on both diurnal and seasonal time scales. Cold UTES has the potential to also function as a virtual power plant (VPP). The US Department of Energy's Geothermal Technologies Office is supporting R&D to understand the grid and system-wide value, costs, and impacts of deploying this emergent cooling solution at scale.

AI↗