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At least 595 records · Page 33

Electronic Structure, Bonding and Reactivity in f-Element Chemistry (Final Technical Report)

The proposed research aims to further develop and apply advanced inorganic spectroscopic methods to f-element systems, including well-defined compounds, in-situ generated complexes (including potentially complex mixtures) and transient species. Our long term goal is to develop and apply advanced inorganic spectroscopic methods in f-element chemistry in order to advance our understanding of electronic structure, bonding and reactivity in f-element systems up to the level currently available for d-block systems. A further goal of our program is the training and development of graduate students in the application of advanced inorganic spectroscopic methods for the study of f-element systems, which is critically underdeveloped at US academic institutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantum Information for Fusion Energy Sciences (Final Technical Report)

The simulation of plasma dynamics is a critical area of Fusion Energy Sciences (FES) due to it’s usefulness in predicting, controlling, and confining plasmas in the context of potential fusion reactors. The simulation of plasmas is a computationally difficult problem in both classical and quantum physics, motivating investigation into the potential of quantum computers to simulate these systems. This project took several concrete steps towards this goal by developing tools for improving the control, characterization, and calibration of quantum gates on a superconducting quantum computer, developing error suppression and mitigation tools to reduce errors on the quantum computer, and utilizing these advancements to simulate reduced models of plasma dynamics on the quantum computer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Quantum Information for Fusion Energy Sciences (Final Technical Report)

The simulation of plasma dynamics is a critical area of Fusion Energy Sciences (FES) due to it’s usefulness in predicting, controlling, and confining plasmas in the context of potential fusion reactors. The simulation of plasmas is a computationally difficult problem in both classical and quantum physics, motivating investigation into the potential of quantum computers to simulate these systems. This project took several concrete steps towards this goal by developing tools for improving the control, characterization, and calibration of quantum gates on a superconducting quantum computer, developing error suppression and mitigation tools to reduce errors on the quantum computer, and utilizing these advancements to simulate reduced models of plasma dynamics on the quantum computer. In order to efficiently simulate plasma physics, an optimal control method which synthesizes, directly at the pulse level, any quantum gate on qubit and qutrit systems was developed. Using four superconducting transmon quantum processors at Rigetti and LLNL, it was demonstrated that any arbitrary quantum gate on qubits and qutrits could be implemented with high fidelity, leading to a significantly reduced length of a gate sequence. A problem of interest in FES is the nonlinear optical process of laser pulse compression within a plasma. Since quantum physics is linear, simulating nonlinear operations is not naturally feasible on a quantum computer, however it is possible to simulated a quantized version of the nonlinear process. A quantization approach to convert nonlinear wave-wave interaction problems to Hamiltonian simulation problems was developed and demonstrated using two qubits on a Rigetti device. In this experiment, a number of error suppression and mitigation techniques were investigated to determine how best to utilize the finite quantum resources. This study provides an example of how plasma problems may be solved on near-term, noisy quantum computing platforms and identified a promising set of techniques. Building on the insights of these experiments, the investigation turned to linear electron-plasma wave physics. A connection was identified between a local one-dimensional lattice spin model and linear wave phenomena, allowing a plasma physics problem to be efficiently mapped to the quantum computer. In this framework, reflection and transmission of plasma waves at a sharp boundary was studied, as well as the propagation of waves through an inhomogeneous plasma medium. In addition to the suite of error suppression and mitigation techniques developed, this experiment introduced the use of a digital-analog gate scheme designed to efficiently simulate the plasma Hamiltonian. With hardware available at the conclusion of the project, simulation at the scale of 9 qubits and 15 timesteps (60 entangling layers) was achieved.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Opportunities and challenges for flow-through hydrothermal pretreatment in advanced biorefineries

Hydrothermal pretreatment (HTP) using only water offers great potential to reduce the overall cost of the bioconversion process. However, traditional HTP performed in a batch has limitations in removing lignin and often needs to be performed under severe conditions to achieve reasonable pretreatment effects. Additionally, lignin left in the pretreated residue at these conditions is also highly condensed, thus possessing an even more adverse impact on the hydrolysis process, which requires high enzyme loadings. To address these technical challenges, HTP performed in a flow-through configuration was developed to simultaneously achieve near-complete hemicellulose recovery, high lignin removal and high sugar release. Despite facing challenges such as potentially large water usage, flow-through HTP still represents one of the most cost-effective and eco-friendly pretreatment methods. This review mainly covers the latest cutting-edge innovations of flow-through HTP along with structural and compositional changes of cellulose, hemicellulose, and lignin before and after pretreatment.

09 BIOMASS FUELS↗

Knowledge gaps for neuromorphic ionic computing

BACKGROUND Neuromorphic computing, inspired by the human brain’s ability to process information efficiently, represents a transformative approach to computation. In this Review, we explore the emerging field of neuromorphic ionic computing, which leverages ionic conduction and coupling to mimic neural processes, and identify critical knowledge gaps that must be addressed to realize its full potential. A central theme of the discussion is energy efficiency, a challenge that is both a limitation and an opportunity for this technology. Although complementary metal-oxide semiconductor (CMOS)–based neuromorphic technologies have made strides in scaling to billions of neurons and are increasingly applied in artificial intelligence and numerical computing, they remain orders of magnitude behind the human brain in terms of connectivity and energy efficiency. Neuromorphic ionic computing promises to overcome these limitations by leveraging the distinct architectural and operational principles of the brain. Our brains achieve this energy efficiency by combining several key features: using the same network elements to store and process information; using an incredibly complex and massively interconnected three-dimensional (3D) network of locally active elements that enables sparsity, robustness in the presence of noise, adaptation, and life-long learning; computing at comparatively low voltage and frequency; and last, taking advantage of a plethora of ions and small molecules as information carriers. Here, we propose that ionic computing systems can take advantage of similar features to achieve substantial gains in energy efficiency. ADVANCES Since the first reports of neuromorphic ionic behavior in nanofluidic channels, we have witnessed an explosion of reports that used ionic devices to produce synaptomimetic behaviors. However, achieving the goals of ionic computing requires not only implementation of much more sophisticated device functionality but also overcoming fundamental barriers in materials science, device architecture, and system integration. Current ionic devices, even those incorporating state-of-the-art materials, still suffer from limited functionality and stability, which restrict their performance and increase energy demands. Developing new materials with enhanced ionic properties is essential to overcome these limitations. Similarly, the design of neuromorphic devices must evolve to leverage the particular advantages of ionic processes. Existing architectures often follow a single-information-carrier logic of conventional electronics or are constructed of mesoscale fluidics, failing to capitalize on the energy-efficient mechanisms inherent to ionic systems or implement the multiple-information-carrier paradigm. Current neuromorphic chips focus on large-scale networks of analog memory elements based on mechanisms such as charge trap (flash), filamentary, phase change, or spin, which are built on top of a network of artificial CMOS neurons. Although such prototype networks have achieved impressive performance, it is difficult to envision how they can implement the key features such as massive connectivity, sophisticated plasticity, adaptability, sparsity, and “multichromatic” computing. Although small-scale devices have demonstrated promising results, integrating them, maintaining energy efficiency, and implementing temperature control as systems grow in complexity and size to computationally relevant scale remain major hurdles. Furthermore, interfacing neuromorphic ionic devices with existing computing technologies presents technical and conceptual challenges that will require innovative approaches that combine insights from neuroscience, materials science, and engineering. OUTLOOK Despite these challenges, the potential impact of neuromorphic ionic computing is profound with potential applications ranging from artificial intelligence to robotics and beyond. We also argue that neuromorphic ionic computing systems should not, at least in the beginning, compete with CMOS technologies but rather should focus on applications that require extreme energy efficiency with chemical and/or biological compatibility, such as biomedical applications (for example, brain-computer interfaces), environmental monitoring, and agricultural and food applications. Ultimately, this Review highlights the crucial role of interdisciplinary collaboration in advancing the field. Neuromorphic ionic computing is not merely a technological innovation; it represents a substantial step toward sustainable computation, aligning with the growing demand for energy-conscious solutions in a world that is increasingly reliant on data and computation.

Neuromorphic↗

Regulatory and Technical Challenges and Barriers to Adoption of Distributed Wind Energy in Agricultural Settings

Distributed wind (DW) energy development can benefit agricultural landowners through the possibility of improved resilience of electrical service from onsite generation and associated economic benefits. DW development currently faces technical and regulatory challenges related to interconnection of projects with distribution or transmission equipment on the main electrical grid. A review was conducted of barriers to adoption for agricultural DW projects and potential roles of various stakeholders in addressing them. One major barrier is that the unique characteristics of wind energy generation such as its variability and intermittency, may require upgrades for the whole power line, which can lead to prohibitive cost burdens on individual interconnection customers. Another barrier is compliance with federal, state, or utility-level regulations that require technology-agnostic, industry-standard equipment that is often not technically realistic for DW projects. DW developers, grid infrastructure owner-operators, regulators, and standards publishers can work together to address these challenges and facilitate DW development.

17 WIND ENERGY↗

Eastern Interconnection Wide-Area Oscillation Assessment and Study Report

To meet the government mandates such as Renewable Portfolio Standards (RPS), conventional synchronous generators with rotating mass are being displaced by inverter-based resources (IBRs), leading to high penetration of renewable energy sources (RES). As a result, the inherent properties and characteristics of the transformed generation mix may significantly impact the grid behaviour, and it is of paramount significance that the impact and the consequences of the resource mix change is thoroughly understood to adopt measures to maintain reliable grid operations. Of great concern is the inter-area low-frequency oscillation, which usually propagates through a large region and has a system-wide impact. Such oscillations may lead to unnecessary or inadvertent tripping of generators, that may be simply reacting to the oscillation originating from geographically remote sites. Such tripping of generators can lead to cascading outages, system split and load loss events. Over the years, several system-wide oscillation events have been observed across all three North American interconnections. This project titled Wide-area Oscillation Assessment and Trending Study, sponsored by the Office of Electricity (OE) of the Department of Energy (DOE), aims to conduct the required research to capture and investigate the potential changes in wide-area oscillatory performance of the system as a result of resource mix transition. The Pacific Northwest National Laboratory (PNNL) conducted this research and technical staff of Federal Energy Regulatory Commission (FERC) served as advisors to the project. The primary objective of this study is to assess whether there are significant trends in the power system wide-area oscillatory behaviours, as a result of the generation-mix changes due to the increased penetration of RES in the U.S. Eastern Interconnection (EI). The analysis presented in this report can serve as reference for future grid planning and operation of the EI system. This research conducted in this project evaluates the wide-area oscillatory behaviour of the EI, using a model-based approach for potential future resource mixes, and the measurement-based analysis with 21-month phasor measurement unit (PMU) time series. The oscillation modes in EI system along with the impact of the changes of the generation mix on the frequency and damping ratio (DR) of the oscillations have been studied.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Challenges and Advances in Information Extraction from Scientific Literature: a Review

Scientific articles have long been the primary means of disseminating scientific discoveries. Over the centuries, valuable data and potentially groundbreaking insights have been collected and buried deep in the mountain of publications. In materials engineering, such data are spread across technical handbooks specification sheets, journal articles, and laboratory notebooks in myriad formats. Extracting information from papers on a large scale has been a tedious and time-consuming job to which few researchers have wanted to devote their limited time and effort, yet is an activity that is essential for modern data-driven design practices. However, in recent years, significant progress has been made by the computer science community on techniques for automated information extraction from free text. Yet, transformative application of these techniques to scientific literature remains elusive-due not to a lack of interest or effort but to technical and logistical challenges. Using the challenges in the materials science literature as a driving motivation, we review the gaps between state-of-the-art information extraction methods and the practical application of such methods to scientific texts, and offer a comprehensive overview of work that can be undertaken to close these gaps.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Design and performance validation of a high-temperature downhole permanent magnet generator used for an electro-pulse boring system in geothermal energy applications

Novel, direct-energy drilling technologies such as electro-pulse boring, have the potential to significantly increase the speed and depth of geothermal drilling but have not achieved widespread adoption due to several economic and technical barriers. One major challenge is that these drilling systems require electric power downhole. The current practice is to supply power to the drill string components by running electric cables down the geothermal well, but at the targeted well depths, this practice is cost-inhibitive, inefficient in terms of power consumption, and adds an additional failure point with the long cabling going through a highly corrosive, high-temperature environment. A solution to this problem is to develop high-temperature electric generator technology that can generate the required power downhole. Such a generator must also operate with high efficiency at the target downhole ambient temperature of 250 °C. In this paper, we investigate the various design considerations for this concept and subsequently design the downhole electric generator using a multi-objective design optimization approach. Through electromagnetic-, thermal- and short-circuit fault condition analysis, it is demonstrated that the optimized downhole electric generator concept presented in this paper can meet the performance requirements within this extreme drilling environment. Most remarkably, it is shown that a generator efficiency of 90% is achieved. In conclusion, to validate the results presented in this paper, a prototype generator is built and its performance is measured at 250 °C using a test bench uniquely developed for this application.

15 GEOTHERMAL ENERGY↗

Using Facebook to Recruit Urban Participants for Smartphone-Based Travel Surveys

Social media has become an integral part of everyday life for many individuals, serving as a platform to express opinions, share memories and lifestyles, follow news, and adapt to social trends and norms. The wealth of user information and analytics on these platforms has facilitated the development and sale of tailored products and services, benefiting advertisers and researchers seeking survey participants. Social media advertising has demonstrated its effectiveness in reaching hard-to-reach populations. However, transport researchers have yet to capitalise on this potential fully. This paper presents our experience using social media to recruit participants for two smartphone travel surveys conducted in Australia. We demonstrate that social media recruitment and smartphone-based travel surveys are highly effective, adaptable, and can be rapidly deployed in response to research opportunities, such as during the early phase of the COVID-19 pandemic when traditional methods may be less suitable. This approach also holds great potential for travel surveys targeting the general population. This paper shares several lessons from this experiment, including our administrative approach and detailed technical instructions to utilise open-source software tools for conducting smartphone travel surveys like ours. This approach significantly reduces study costs compared to most commercial solutions.

97 MATHEMATICS AND COMPUTING↗

SAP-X2C: Optimally-Simple Two-Component Relativistic Hamiltonian with Size-Intensive Picture Change

We present a simple relativistic exact 2-component (X2C) Hamiltonian that models two-electron picture-change effects using Lehtola’s superposition of atomic potentials (SAP) [S. Lehtola, J. Chem. Theory Comput. 15, 1593−1604 (2019)]. The SAP-X2C approach retains the low cost and technical simplicity of the popular 1-electron X2C (1eX2C) predecessor but is significantly more accurate and has a well-defined thermodynamic limit, making it applicable to extended systems (such as large molecules and periodic crystals). The assessment of the SAP-X2C-based Hartree−Fock total and spinor energies, spin−orbit splittings, equilibrium bond distances, and harmonic vibrational frequencies suggests that SAP-X2C is similar to the more complex atomic meanfield (AMF) X2C counterparts in its ability to approximate the 4-component Dirac−Hartree−Fock reference.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

HydroX, a light dark matter search with hydrogen-doped liquid xenon time projection chambers

Experimental efforts searching for dark matter particles over the last few decades have ruled out many candidates led by the new generation of tonne-scale liquid xenon. For light dark matter, hydrogen could be a better target than xenon as it would offer a better kinematic match to the low mass particles. This article describes the HydroX concept, an idea to expand the dark matter sensitivity reach of large liquid xenon detectors by adding hydrogen to the liquid xenon. We discuss the nature of signal generation in liquid xenon to argue that the signal produced at the interaction site by a dark matter–hydrogen interaction could be significantly enhanced over the same interaction on xenon, increasing the sensitivity to the lightest particles. We discuss the technical implications of adding hydrogen to a xenon detector, as well as some background considerations. Finally, we make projections as to the potential sensitivity of a HydroX implementation and discuss next steps.

Experimental particle physics↗

Design of the EIC hadron storage ring stripline injection kicker with a novel impedance tuning capability

The Electron-Ion Collider (EIC), to be built at Brookhaven National Laboratory, will be a high luminosity (~10 34 cm –2 s –1 ) nuclear science facility. To facilitate EIC experiments, the existing yellow ring of the Relativistic Heavy Ion Collider (RHIC) will be reconfigured to serve as the Hadron Storage Ring (HSR). Designing a stripline injection kicker for the HSR beams, with high magnetic rigidity (~ 82 Tm), poses some technical challenges due to the required large pulsed voltage with long flattop duration, very fast rise time, expected shorter bunch spacing, and potential heating due to higher peak current. In addition, minimizing impedance mismatch in the transition region between the feedthrough and the stripline electrode is challenging. This paper focuses on the mechanical design and optimization of the HSR injection kicker, highlighting a novel impedance tuning capability achieved through an innovative kicker aperture adjustment mechanism. We comprehensively cover the design, including impedance optimization (both beam coupling and characteristic), beam-induced heating, and thermal analysis, and investigation of the maximum electric field due to high voltage signal excitation to ensure safe and reliable operation.

43 PARTICLE ACCELERATORS↗

Recovery of High Value Anode Materials for a Closed Loop Li-ion Battery Recycling Process (Final Report)

Battery Resourcers’ goal with this Small Business Innovative Research Phase 1 project was to produce high quality and high purity graphite generated from its Li-ion battery recycling technology. Battery Resourcers’ technology recovers cathode material from a broad spectrum of Li-ion battery regardless of size, shape or chemistry. In Battery Resourcers existing model, the graphite is recovered to be used as a reductant and therefore the battery materials cost or recycling cost is not lowered by the recovery of the graphite. Currently, Battery Resourcers is piloting its lithium ion battery recycling process and the recovered LiNi 0.33 Mn 0.33 Co 0.33 O 2 (NMC111) or LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC111) cathode materials have shown that they can outperform existing commercial NMC111 cathode materials while being produced at a projected lower cost. Battery Resourcers and its subcontractor WPI have demonstrated the same success with the recovered graphite for anode materials. The success of this award will enable Battery Resourcers offer lowest cost anode materials while reducing the carbon footprint of the battery industry. This will potentially lower the cost of EV by lowering the upfront cost of the battery and the end of life disposal costs. The technical objectives of this Phase 1 research project are to purify the recovered graphite from Battery Resourcers leaching process and demonstrate it is viable to be used in new electric vehicle lithium ion batteries. This project demonstrated that Battery Resourcers can recover graphite with less than 2% impurities. To separate the graphite from other materials Battery Resourcers will employed new filtering techniques and chemical processing methods.

25 ENERGY STORAGE↗

Addendum to Capability Needs for Irradiated and Radioactive Materials Research (Ad Hoc Committee Summary Report)

Nuclear materials and fuels studies are challenging research and engineering targets because of their inherent radioactivity as well as their heterogeneous microstructure. Advanced light sources have made significant underpinning scientific contributions to the understanding of structural and fuel cladding material microstructure and properties and the development of structure-property relationships. These facilities have the potential to help advance the Department of Energy (DOE) Office of Nuclear Energy (DOE-NE) mission priorities providing underpinning understanding of technically important challenges, including: irradiation induced embrittlement and swelling; stress corrosion cracking and corrosion in extreme environments; ageing of reactor pressure vessels steels; nuclear fuel characterization; and nuclear waste form optimization as well as playing a major role in the development of a materials performance matrix to aid in the design of new materials to meet the needs of advanced reactor concepts. However, the delivery of underpinning understanding is the mission of DOE Office of Science (DOE-SC). While filling such knowledge gaps is important, efforts in this direction should not be confused with the strategic technology focused mission goals of DOE-NE to enable the continued operation of existing U.S. nuclear reactors, to enable the deployment of advanced nuclear reactors, to develop advanced nuclear fuel cycles, and to maintain U.S. leadership in nuclear energy technology.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Community Solar Consolidated Billing: An Exploration of Implementation and Alternatives

The report presents an analysis of the considerations, costs, and benefits surrounding the implementation of utility consolidated billing in community solar programs while also exploring alternatives to achieve similar benefits in its absence. Consolidated billing simplifies the billing process for customers by combining all charges and credits associated with electricity service and community solar subscriptions into a single bill. The potential benefits of consolidated billing implementation include increased transparency, improved customer experience, and ultimately increased retention rates and decreased subscriber acquisition costs. Currently, community solar subscribers often receive two separate bills - one from the utility and one from a third-party community solar provider - potentially causing confusion. Consolidated billing seeks to resolve this by offering a unified bill, which, while beneficial to numerous stakeholders, presents administrative, technical, and financial hurdles that utilities and program administrators must address.

14 SOLAR ENERGY↗

Bridging the Gap on Data and Analysis for Distribution System Planning: Information That Utilities Can Provide Regulators, State Energy Offices and Other Stakeholders

Electric utilities conduct planning annually to ensure their distribution system meets technical standards, policies, and regulations; addresses forecasted grid conditions; satisfies customer needs; and advances utility priorities. The plan identifies grid deficiencies, analyzes potential solutions, and prioritizes capital investments and other expenditures. About 20 U.S. states and jurisdictions require regulated utilities to file some type of distribution system plan with the public utility commission for review. Requirements for sharing distribution system data and analyses vary widely, from few specific requirements to a detailed list of information that must be provided. While utilities conduct extensive analysis to develop distribution system plans, in most jurisdictions regulators and stakeholders do not know what data are available and how the utility uses the data in planning and investing. This report aims to bridge the gap by increasing understanding of the types of data and analyses utilities employ to develop distribution system plans and how the information affects their decision-making. The report describes information that states and stakeholders can ask for related to 11 data categories: -Forecasting loads and distributed energy resources (DERs) -Scenario analysis -Worst-performing circuits -Asset management strategy -Hosting capacity analysis -Value of DERs -Grid needs assessment -Cost-effectiveness framework for investments -Distribution system investment strategy and implementation -Geotargeted programs -Non-wires alternatives procurements.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Community Solar Consolidated Billing: An Exploration of Implementation and Alternatives [Slides]

This presentation is an abridged version of the report it is based on that presents an analysis of the considerations, costs, and benefits surrounding the implementation of utility consolidated billing in community solar programs while also exploring alternatives to achieve similar benefits in its absence. Consolidated billing simplifies the billing process for customers by combining all charges and credits associated with electricity service and community solar subscriptions into a single bill. The potential benefits of consolidated billing implementation include increased transparency, improved customer experience, and ultimately increased retention rates and decreased subscriber acquisition costs. Currently, community solar subscribers often receive two separate bills - one from the utility and one from a third-party community solar provider - potentially causing confusion. Consolidated billing seeks to resolve this by offering a unified bill, which, while beneficial to numerous stakeholders, presents administrative, technical, and financial hurdles that utilities and program administrators must address.

14 SOLAR ENERGY↗