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At least 91 records · Page 5

Next-generation neutron detection using a 6 Li glass scintillator composite

Neutron detectors are crucial in fundamental science, nuclear security, safeguards, and civil applications. 3 He-filled gas proportional counters are the gold standard for thermal neutron detection, prized for their efficiency, neutron/gamma discrimination, and stability; however, the scarcity of 3 He has prompted the search for alternatives. Here, we introduce a neutron detector design based on a scintillating composite consisting of 6 Li glass scintillator particles dispersed in an organic matrix. A detector consisting of this scintillating composite, photomultiplier tubes (PMTs) for optical detection, and electronics for reading out the PMT signal in both pulse and current modes was prototyped and characterized using various neutron and gamma sources. The prototype achieves a measured intrinsic detection efficiency of 6.70 ± 0.01%, a die-away time of 10.3 ± 0.1 μs, a negligible gamma misidentification probability, and response linearity up to at least 3.7 × 10 6 incident neutrons/s established via a cross-calibration technique. This detector holds the potential to outperform traditional 3 He-gas-based neutron detection systems, offering a viable alternative amidst the ongoing 3 He shortage and promising advancements in neutron detection technology.

47 OTHER INSTRUMENTATION↗

From sequence to protein structure and conformational dynamics with artificial intelligence/machine learning

The 2024 Nobel Prize in Chemistry was awarded in part for de novo protein structure prediction using AlphaFold2, an artificial intelligence/machine learning (AI/ML) model trained on vast amounts of sequence and three-dimensional structure data. AlphaFold2 and related models, including RoseTTAFold and ESMFold, employ specialized neural network architectures driven by attention mechanisms to infer relationships between sequence and structure. At a fundamental level, these AI/ML models operate on the long-standing hypothesis that the structure of a protein is determined by its amino acid sequence. More recently, AlphaFold2 has been adapted for the prediction of multiple protein conformations by subsampling multiple sequence alignments. Herein, we provide an overview of the deterministic relationship between sequence and structure, which was hypothesized over half a century ago with profound implications for the biological sciences ever since. We postulate that protein conformational dynamics are also determined, at least in part, by amino acid sequence and that this relationship may be leveraged for construction of AI/ML models dedicated to predicting protein conformational ensembles. Accordingly, we describe a conceptual model architecture, which may be trained on sequence data in combination with conformationally sensitive structural information, coming primarily from nuclear magnetic resonance (NMR) spectroscopy. Notwithstanding certain limitations in this context, NMR offers abundant structural heterogeneity conducive to conformational ensemble prediction. As NMR and other data continue to accumulate, sequence-informed prediction of protein structural dynamics with AI/ML has the potential to emerge as a transformative capability across the biological sciences.

Artificial intelligence↗

Photoenzymatic Csp 3 –Csp 3 bond formation via enzyme-templated radical–radical coupling

Cross-couplings are essential reactions in modern chemical synthesis, enabling the rapid construction of complex molecules from simple precursors. Transition metal catalysts are prized for these transformations because their reactivity and selectivity can be tuned via judicious selection of the metal and ligand. Although enzymes offer analogous opportunities for tuning via protein engineering, their application to cross-coupling remains limited, as nature relies on alternative paradigms for building molecular complexity. Here, we report the cross-coupling of alkyl halides and benzylic carboxylic acids using an engineered flavin-dependent lactate monooxygenase—a photoenzyme. The enzyme achieves this feat by exploiting the redox versatility of the flavin cofactor. Stoichiometric experiments, ultrafast spectroscopy, and computational studies support a mechanism in which photoexcited flavin quinone initiates the reaction via oxidative decarboxylation to generate a benzylic radical. The resulting flavin semiquinone can reduce the alkyl halide to form a second organic radical within the protein active site, which rapidly engages in C(sp 3 )–C(sp 3 ) bond formation. A variant was engineered to control the stereochemical outcome of this radical–radical coupling event, highlighting the ability of the protein to alter the energetic barrier for a mechanistic step that is traditionally understood to be near barrierless. This work demonstrates that the scope for nonnative reaction mechanisms in biocatalysis far exceeds previously established bounds and has potential to solve a variety of reactivity challenges in cross-coupling chemistry.

biocatalysis↗

Abstract for CRADA between National Energy Technology Laboratory and Giner Inc.

The National Energy Technology Laboratory (NETL) and Giner Inc. will collaborate in the development and scaling of an electrochemical system to capture and regenerate CO 2 from air with high efficiency and low energy input under an awarded project from the Department of Energy’s Direct Air Capture Pre Commercialization Technology Prize. Giner’s prototype design utilizes a hydroxide-based sorbent to capture the CO 2 from ambient air and convert it to carbonate in solution. The carbonate is then regenerated electrochemically back into CO 2 , releasing a purified, concentrated CO 2 stream ideal for downstream utilization. This process recycles the capture solution and all generated byproducts, including water and hydrogen, making it an extremely resource- and energy-efficient system. This collaboration will facilitate the deployment of this cost-effective solution for direct air capture of CO 2 to enable reduction in global greenhouse gases and advance NETL’s ongoing CO 2 conversion efforts.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Abstract for CRADA between National Energy Technology Laboratory and Elysia LLC

The National Energy Technology Laboratory (NETL) and Elysia Labs LLC are embarking on a collaborative project to develop and evaluate a low-cost, high-performance carbon dioxide capture process for the burgeoning Direct Air Capture (DAC) industry. The partnership will focus on developing an electrospun fiber based air contactor that promises higher efficiency and lower costs to set a new standard in the DAC field. The expected outcomes of this collaboration include the creation of a DAC contactor that significantly outperforms existing technologies in cost, capacity, cycle time, regeneration energy, and durability. This project is a result of an awarded project from the Department of Energy’s Direct Air Capture Pre-Commercialization Technology Prize.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Abstract for CRADA between National Energy Technology Laboratory and Carbon To Stone, Inc.

The National Energy Technology Laboratory (NETL) and Carbon To Stone (CTS), Inc. (Participant) will collaborate on a techno-economic assessment (TEA) and life cycle assessment (LCA) of CTS’s carbon dioxide removal (CDR) technology under an awarded project from the Department of Energy’s Direct Air Capture Pre-Commercialization Technology Prize. CTS has developed a technological platform that captures carbon dioxide (CO2) from air and mineralizes it into durable carbonates using alkaline industrial residues such as steel slag and mine tailings. In addition, CTS’s technology uses electrochemistry to recover value-added energy critical metals (ECMs) from these residues. NETL has expertise in CDR TEA and LCA development. The collaboration between CTS and NETL aims to quantify the performance, cost and lifecycle impacts of CTS’s technology and produce LCA and TEA models that can accelerate development and deployment of this technology.

54 ENVIRONMENTAL SCIENCES↗

Abstract for CRADA between National Energy Technology Laboratory and Nūxsen LLC

The National Energy Technology Laboratory (NETL) and Nūxsen are embarking on a collaborative project to research a low-cost, high-performance chemical sorbent for the rapidly growing Direct Air Capture (DAC) industry. The expected outcomes of this collaboration include the production and testing of a carbon dioxide sorbent material with improved cost, capacity, cycle time, regeneration, and durability. This project is the result of funding provided to Nūxsen from the Department of Energy’s Direct Air Capture Pre-Commercialization Technology Prize.

54 ENVIRONMENTAL SCIENCES↗

Microstructural Characterization of Enhanced Conductivity Aluminum Alloys (Abstract)

In this project, Pacific Northwest National Laboratory (PNNL) will perform multimodal imaging to determine the microstructural features of enhanced conductivity aluminum alloys manufactured by NanoAL LLC. In particular, we will perform imaging to identify the basis of the strengthening mechanisms in the custom AA6X alloys provided by NanoAL LLC. These activities will be performed as part of a voucher service provided by the PNNL for the CABLE Manufacturing Prize stewarded by DOE Advanced Manufacturing Office. This 6-month effort will be executed predominantly at PNNL with a budget of $50,000.

36 MATERIALS SCIENCE↗

Characterizing Copper-Graphene Composites (Abstract)

In this project, Pacific Northwest National Laboratory (PNNL) will measure the electrical and mechanical properties of the metal composite samples provided by MetalKraft Technologies, LLC. PNNL will also use multimodal methods for characterizing the microstructure of MetalKraft Technologies, LLC’s copper graphene composites. PNNL will work with MetalKraft Technologies, LLC as part of the CABLE Manufacturing Prize efforts under a CRADA. The voucher from DOE has a budget of $100,000 over a period of 6 months. PNNL will be the primary place of performance for the property and microstructure characterization efforts.

36 MATERIALS SCIENCE↗

Supporting ARPA-E Power Grid Optimization (Final Report)

Pacific Northwest National Laboratory (PNNL), Arizona State University (ASU), Georgia Institute of Technology (Georgia Tech), Los Alamos National Laboratory (LANL), National Renewable Energy Laboratory (NREL), Texas A&M University (TAMU), The University of Texas at Austin (UT), and the University of Wisconsin-Madison (UW-M) supported the ARPA-E Grid Optimization (GO) Competition by providing a common problem formulation, data format, datasets, evaluation mechanism, scoring, rules, and results that resulted in the awarding of $\$9.24$ million dollars to teams from academia, industry, and national labs for solving three sets of increasingly difficult non-linear, security- constrained AC Optimal Powerflow (AC-OPF) optimization problems in order to increase the efficiency of the US Electric Grid. It is estimated that a 1% increase in efficiency can save $\$1$ billion. Current industry practices typically use a linear DC model (DC-OPF) in order solve the OPF problem within the time constraints of the operation schedule. The GO Competition challenges the best power engineers, mathematicians, and computer scientists to make possible operational decisions based on accurate physical models. To accomplish this, the GO Competition created a series of Challenges and funded teams to produce the best solver. Challenge 1 was to solve the security constrained Alternating Current Optimal Power Flow (ACOPF) problem. Challenge 2 extended that to by adding adjustable transformer tap ratios, phase shifting transformers, switchable shunts, price-responsive demand, ramp rate constrained generators and loads, and fast-start unit commitment (UC). Furthermore, Challenge 2 was a maximization problem while Challenge 1 was a minimization problem. While Challenge 3 was being developed, the entrants were invited to find better solutions to the Challenge 2 synthetic datasets with no restrictions on time, hardware, or algorithms. The Challenge 2 solutions turned out to be very good. Challenge 3 expanded the Challenge 2 problem further by using multiperiod dynamic markets, including advisory models for extreme weather events, day-ahead markets, and the real-time markets with an extended look-ahead. These problems included active bid-in demand and topology optimization. Together the Challenges used nearly 30 million CPU hours. Since each team was working on the same problem, using the same data, and running on the same hardware, fair comparisons could be drawn as to the best solver. The datasets were varied enough, however, that the best solver for one dataset was not necessarily the best at another, so cumulative scores were used. The process was managed by the PNNL maintained website https://GOCompetition.energy.gov, where Entrants could find information about the problem, the data, the rules, submit their solver for evaluation, and see the scores of all the competing teams on a Leaderboard. Interest was world-wide but only American teams were eligible for prizes. The Competition has produced 34 journal articles 115 papers and been cited over 500 times in the literature, including 12 dissertations (4 from foreign countries; Columbia (2), Germany, and Italy) and 3 from the DOE ExaScale project. Software developed by Pearl Street Technologies for Challenges 1 and 2 is now deployed by Southwest Power Pool (SPP) and Midcontinent Independent Service Operator (MISO). Other teams have received inquiries from venture capitalists. Google DeepMind has thanked the Competition for making the datasets developed for the Competition public. They are using it to train machine learning models. The larger datasets have billions of unknowns to be solved for, but only a small percent matter in the final solution. Knowing what unknowns are important can dramatically speedup the solution.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Probing Naturalness with Searches for Supersymmetric Higgs Partners at the Large Hadron Collider

The discovery of the Higgs boson at the Large Hadron Collider completed the standard model of particle physics and led to the 2013 Nobel Prize. While it has been extremely successful in describing a wide variety of phenomena, the standard model cannot be the final theory of nature because it is unable to explain why the Higgs boson mass lies at the electroweak scale rather than 16 orders of magnitude larger at the Planck scale, a theoretical flaw known as the ``hierarchy problem.'' Supersymmetry is a standard model extension that could provide a natural solution to the hierarchy problem by introducing light supersymmetric Higgs partners. This proposal focused on searches that are sensitive to supersymmetric Higgs partners in data collected by the ATLAS experiment, which were carried out by the University of Illinois high-energy physics group led by PI Ben Hooberman as part of his Department of Energy Early Career Research Program award from 2017-2023. The searches were complemented by improvements to particle identification algorithms and the ATLAS trigger system that extend the sensitivity of future supersymmetry searches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Alternating Direction Decomposition with Strong Bounding and Convexification (ADDSBC) for Solving Security Constrained AC Unit Commitment Problems

This project aims to develop efficient and robust computational methods for solving the security-constrained unit commitment and alternating current optimal power flow problem (SC-UC-ACOPF). The SC-UC-ACOPF problem is at the center of the short-term operation of the U.S. Power Grid. It is solved every week, every day, and every 10 minutes to plan for the optimal action of electricity generation and consumption by minimizing the generation cost and maintaining power system reliability against potential disruptions of equipment failures. In mathematical terms, SC-UC-ACOPF is a challenging large-scale mixed-integer nonlinear optimization model. This means that the decisions involve both discrete variables, e.g. the turning on and off of generators and switching of transmission lines and transformers, and continuous decisions, e.g. the amount of energy generated by each generator and the power flows in the power grid. The physics of the power flow is described by nonlinear equations involving real and reactive power and bus voltages. Another key feature is the large number of contingencies, i.e. the system needs to stay reliable in face of failure of any one equipment, such as transmission lines and generators. The U.S. power grids are extremely complicated and large scale with more than 5,000 generators, 50,000 buses, and 100,000 high-voltage transmission lines, making the SC-UC-ACOPF a very large-scale computation challenge. The research developed in this project aims to solve the SC-UC-ACOPF problems in the three timescales, i.e. weekly, daily, and every 10-min. The proposed computational methods are built on a principled algorithmic approach of decomposition and penalization. More specifically, the algorithm develops spatial and temporal decomposition by exploiting the strong temporal coupling and weak spatial coupling of the UC problem and the complementary feature, i.e. weak temporal coupling and strong spatial coupling of the ACOPF problem. The algorithm also leverages recent progresses in strong convex relaxation of ACOPF. A unique feature of the proposed approach is that it generates a valid, global upper bound on the optimal maximum profit. In this way, a global optimality gap is available to measure the quality of the solution. To further speed up computation, the research team has developed a plethora of effective heuristics to strengthen the iterative penalty-based decomposition framework. For instance, a heuristic is developed to construct inner approximations of the time coupling constraints within the time decoupled problems. Contingencies are pre-screened and low-rank matrix computation is exploited to find the almost unique solution to each contingency. A novel heuristic for line switching is proposed and tested with positive impacts on instances where line switching is beneficial. Taking a systematic approach and carefully handling every detail of the problem pays off. The TIM-GO’s performance throughout the trials and the final event was stellar. TIM-GO garnered the second highest total prize money and is ranked in the top three positions across all categories of comparison.

97 MATHEMATICS AND COMPUTING↗

Preliminary Workforce Development and Environmental and Co-use Management Plans for a Floating Offshore Wind Platform - CRADA 609 (Final Report)

Pacific Northwest National Laboratory (PNNL) provided technical assistance to Glosten, Inc. and its affiliate, PelaStar, LLC to advance the development of their floating offshore wind (FOSW) platform. PNNL provided guidance and assessment in two areas that are important to address in the development of FOSW platforms: (1) workforce development and (2) environmental impacts and ocean co-use considerations. This work was funded by the U.S. Department of Energy’s (DOE) Wind Energy Technologies Office (WETO) through Phase 2 of the FLoating Offshore Wind ReadINess (FLOWIN) Prize. It should be noted that the Plans presented in this report are specific to the PelaStar tension-leg platform (TLP) and may not be applicable to all FOSW platforms. Workforce development and environmental/co-use impacts are highly dependent on the geographical region in which activities take place. At the request of PelaStar, PNNL focused on two regions where development may take place: the Gulf of Maine and Northern California. PNNL generated a preliminary Workforce Development Plan for PelaStar, which includes estimated job numbers and skillsets required to establish a workforce to manufacture, install, and operate their platform as part of FOSW projects. The Plan offers methods to increase diversity, equity, and inclusion practices when developing a new workforce and includes colleges and training centers for potential recruitment. Both positive and negative impacts to communities are evaluated, with potential mitigation strategies for reducing negative impacts. The structure of Community Benefit Agreements and Project Labor Agreements are discussed, noting the limitations of the role of a platform manufacturer versus the offshore wind developer. PNNL also drafted a preliminary Environmental and Co-Use Management Plan that serves as a guide to preparing an environmental assessment related to the installation and operation of PelaStar’s unique TLP design, including its potential ecological, socioeconomic, and emissions impacts. The Plan summarizes information on relevant regulatory requirements, potential impact producing factors, monitoring and mitigation measures, and physical and biological resources in the Gulf of Maine and Northern California. One of the primary perceived benefits of the PelaStar TLP is its reduced footprint due to its tensioned tendons versus catenary or taut moorings, but more research must be done as there are no studies on PelaStar’s TLP system to-date. The section also highlights ocean co-use considerations for PelaStar’s TLP system, specifically for fisheries, including existing perspectives, methods, examples, and limitations. The PNNL team established through this preliminary work and review of available literature and resources that there is not yet much research or planning around FOSW. With FOSW being a new industry, many of the findings and planning are adapted from fixed bottom offshore wind, which itself is only just taking off in the United States. More research is needed to establish best practices for workforce development and to assess environmental and ocean co-use impacts and mitigation approaches.

17 WIND ENERGY↗

Abstract for CRADA between Capture6 CORP and NETL

The National Energy Technology Laboratory (NETL) and Capture6 CORP (Participant) will collaborate to refine Capture6’s transformative air contactor design for optimal direct air capture (DAC) under an awarded project from the Department of Energy’s Direct Air Capture Pre-Commercialization Technology Prize. Current cooling tower designs require exponentially more resources as the concentration of CO 2 in the gas phase decreases, resulting in a low conversion rate of carbonates, a large physical footprint, and high evaporation of water, which consequently limits the energy and water benefits that a DAC process can create. Capture6’s innovative tower design AURA (Absorption Unit Reactor for Ambient air) seeks to improve the mass transfer characteristics of legacy cooling towers and reduces total energy demand by: (1) introducing laminar and turbulent flow to increase mass transfer, (2) generating a solvent gradient to improve CO 2 absorption, (3) leveraging venturi and packed towers to increase the surface for the mass-transfer process, (4) adding charged/cool plates to reduce overall water loss in the system, and (5) utilizing surfactant additives to increase mass transfer. The collaboration will facilitate the deployment of technologies that reduce the total energy required and carbon footprint of solvent-based carbon dioxide removal (CDR) technologies. The anticipated results support NETL’s goal of fostering rapid development and commercialization pathways for technologies that remove CO 2 from the atmosphere.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Testing of Participant's Power Electronics Component for Circuit Performance and Efficiency (CRADA Final Report)

The "Solar SEED Smart Controller is a charge control device to condition solar power to load voltage with or without Battery (also called a "DC Power Platform") invented by David Gibbs and T4D Labs Inc. T4D Inc. and the SEED Smart Controller invention were selected for American Made Challenges Solar Prize, which includes voucher for NREL to provide technical assistance.

14 SOLAR ENERGY↗

Abstract for CRADA between NETL and the AZ Board of Regents on behalf of Arizona State University

Arizona State University (ASU) and the National Energy Technology Laboratory (NETL) will collaborate on the development and scale up of sorbent composites that efficiently capture carbon dioxide (CO 2 ) directly from air under an awarded project from the Department of Energy’s Direct Air Capture (DAC) Pre-Commercialization Technology Prize. For DAC to be considered a viable technology for decarbonization, the cost of carbon removal needs to decrease below the proposed carbon tax incentive outlined in the recent Inflation Reduction Act (IRA) (Section 45 Q), which is set at $\$$180 per ton of CO 2 . Achieving this goal requires the development of a cost-effective, environmentally friendly sorbent with high CO 2 sorption capacity and efficient kinetics under DAC conditions as the overall cost of CO 2 captured is highly sensitive to factors such as sorbent cost and sorbent lifetime. ASU has developed a sorbent technology that can potentially reduce CO 2 removal costs by DAC. NETL has expertise in DAC TEA and LCA development and DAC sorbent testing. The collaboration between ASU and NETL aims to accelerate development and deployment of ASU’s technology by quantifying the performance, cost and lifecycle impacts of ASU’s technology and validating sorbent performance.

54 ENVIRONMENTAL SCIENCES↗

HERO WEC V1: Design and Experimental Data Collection Efforts

The Hydraulic and Electric Reverse Osmosis Wave Energy Converter (HERO WEC) is a research platform aimed at developing a modular, small-scale wave-powered desalination system for remote and disaster-response applications. Funded by the Department of Energy (DOE)'s Water Power Technologies Office (WPTO), the project aims to advance wave-powered desalination by developing and testing a small-scale, modular wave energy converter (WEC). The insights gained from this project will help guide the design and development of larger-scale wave energy devices as well as the integration of marine energy and reverse osmosis (RO) desalination. The HERO WEC was initially developed to derisk the Waves to Water prize, enabling the staff to practice WEC deployment and recovery, while optimizing installation protocols ologies, aiming to advance the broader fields of marine energy and water treatment.

13 HYDRO ENERGY↗

Integrate Latimer Controls' Solution into RTAC (CRADA Final Report, CRD-23-24672)

Latimer Controls, Inc. was awarded two vouchers under the Department of Energy's American-Made Solar Prize Round 6 to conduct collaborative research at a national laboratory. The National Renewable Energy Laboratory (NREL) was selected as a partner to assist Latimer Controls in the performance evaluation of its photovoltaic (PV) control software. This collaboration focuses on developing a hardware-in-the-loop (HIL) testbed at NREL, which will be used to test and validate the Latimer PV control technology in a realistic yet de-risked environment. Both Latimer and NREL teams will work together to analyze the collected test data, derive insights, and disseminate the scientific findings. Recent studies underscore the potential of solar energy as a zero-marginal-cost and zero-emission flexibility resource within the bulk power system, particularly when integrated with advanced control systems. To enhance the performance of such systems, Latimer Controls has developed leading-edge technologies, including machine learning (ML) algorithms and hierarchical inverter set-point allocation methods. These innovations are designed to estimate the operational headroom of large PV plants for grid integration and control. However, comprehensive validation under real-world conditions remains necessary. To address this gap, the concurrent CRADA project proposes the real-world application and validation of the Latimer Control solution within a HIL environment. Initially, the Latimer algorithm was developed and tested within MATLAB Simulink, a platform suitable for research-level simulations and iterative development. However, transitioning this technology to a real solar site as an industry-ready solution necessitates implementation in a format compatible with widely used solar power plant controllers. In this additional CRADA work, the MATLAB Simulink-based logic will be translated into Structured Text, a programming language compliant with IEC 61131 standards, which is commonly used for custom logic implementations in industry-leading programmable logic controllers (PLCs), such as the Schweitzer SEL real-time automation controller (RTAC). This transition will facilitate the deployment of the Latimer Control solution in real-world solar power plants, thereby advancing the technology towards commercialization.

14 SOLAR ENERGY↗