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DOE OSTI2022

Preparation, Properties, and Application of Lignocellulosic-Based Fluorescent Carbon Dots

We report that carbon dots (CDs) are a relatively new type of fluorescent carbon material with excellent performance and widespread application. As the most readily available and widely distributed biomass resource, lignocellulosics are a renewable bioresource with great potential. Research into the preparation of CDs with lignocellulose (LC-CDs) has become the focus of numerous researchers. Compared with other carbon sources, lignocellulose is low cost, rich in structural variety, exhibits excellent biocompatibility, and the structures of CDs prepared by lignin, cellulose, and hemicellulose are similar. This Review summarized research progress in the preparation of CDs from lignocellulosics in recent years and reviewed traditional and new preparation methods, physical and chemical properties, optical properties, and applications of LC-CDs, providing guidance for the formation and improvement of LC-CDs. In addition, the challenges of synthesizing LC-CDs were also highlighted, including the interaction of different lignocellulose components on the formation of LC-CDs and the nucleation and growth mechanism of LC-CDs; from this, current trends and opportunities of LC-CDs were examined, and some research methods for future research were put forward.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Design and characterization of the time-resolved opacity spectrometer (OpSpecTR) for the NIF iron opacity campaign

A new time-resolved opacity spectrometer (OpSpecTR) is currently under development for the National Ignition Facility (NIF) opacity campaign. Here, the spectrometer utilizes Icarus version 2 (IV2) hybridized complementary metal–oxide–semiconductor sensors to collect gated data at the time of the opacity transmission signal, unlocking the ability to collect higher-temperature measurements on NIF. Experimental conditions to achieve higher temperatures are feasible; however, backgrounds will dominate the data collected by the current time-integrating opacity spectrometer. The shortest available OpSpecTR integration time of ~2 ns is predicted to reduce self-emission and other late-time backgrounds by up to 80%. Initially, three Icarus sensors will be used to collect data in the self-emission, backlighter, and absorption regions of the transmission spectrum, with plans to upgrade to five Daedalus sensors in future implementations with integration times of ~1.3 ns. We present the details of the diagnostic design along with recent characterization results of the IV2 sensors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Towards Seamless Interoperability of MPI-OpenMP Applications

A chasm exists between mathematical software libraries written for MPI-based applications and those written for OpenMP applications. Recently, however, PETSc enables the simple use of its MPI-based linear solvers from OpenMP applications. Separately, the MPICH MPI development team has started a new project to allow almost seamless MPI use in OpenMP applications. Both proposed approaches would result in a similar user experience. Here, we discuss the reasons for these projects and their potential for providing more numerical library choices for OpenMP applications, including the unlimited assortment of linear solvers available in PETSc. In addition, we present the performance of an application using the first approach, demonstrating its efficacy.

MPI↗

DOE OSTI2022

Intense infrared lasers for strong-field science

The advent of chirped-pulse amplification in the 1980s and femtosecond Ti:sapphire lasers in the 1990s enabled transformative advances in intense laser–matter interaction physics. Whereas most of experiments have been conducted in the limited near-infrared range of 0.8–1 μm, theories predict that many physical phenomena such as high harmonic generation in gases favor long laser wavelengths in terms of extending the high-energy cutoff. Significant progress has been made in developing few-cycle, carrier-envelope phase-stabilized, high-peak-power lasers in the 1.6–2 μm range that has laid the foundation for attosecond X ray sources in the water window. Even longer wavelength lasers are becoming available that are suitable to study light filamentation, high harmonic generation, and laser–plasma interaction in the relativistic regime. Long-wavelength lasers are suitable for sub-bandgap strong-field excitation of a wide range of solid materials, including semiconductors. In the strong-field limit, bulk crystals also produce high-order harmonics. In this review, we first introduce several important wavelength scaling laws in strong-field physics, then describe recent breakthroughs in short- (1.4–3 μm), mid- (3–8 μm), and long-wave (8–15 μm) infrared laser technology, and finally provide examples of strong-field applications of these novel lasers. Furthermore, some of the broadband ultrafast infrared lasers will have profound effects on medicine, environmental protection, and national defense, because their wavelengths cover the water absorption band, the molecular fingerprint region, as well as the atmospheric infrared transparent window.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Added value for integrated marine energy data systems

Launched in 2019, the Portal and Repository for Information on Marine Renewable Energy (PRIMRE) provides centralized access, standardization, community building, and integration of United States (U.S.) databases, tools and codes, and other resources that cover a range of marine energy information. The PRIMRE universe contains a series of Knowledge Hubs that represent data and information on testing of marine energy devices (MHKDR); environmental effects (Tethys); engineering and technical papers (Tethys Engineering); descriptions of marine energy companies and technologies (Marine Energy Projects Database); codes and models (Marine Energy Software); and guidance on testing and measurements (Telesto). Content is added to PRIMRE by applying a set of Guidelines and Best Practices (PRIMRE Guidelines). An aggregate search across the PRIMRE site enables users to find data and information from all the PRIMRE Knowledge Hubs simultaneously, using a single entry-point (PRIMRE Search). In addition to providing access to a range of data and information on marine energy development, testing, and effects, PRIMRE allows for the development of value added products and processes that will help move the marine energy industry forward. The PRIMRE team has recently launched two key initiatives in the U.S.—Signature Projects and Lessons Learned. Outputs and outcomes from these two initiatives will be highlighted in this paper. The Signature Projects initiative is intended to bring focus to a selection of ongoing and completed marine energy projects funded by the U.S. Department of Energy’s Water Power Technologies Office (WPTO), and to inform the marine energy community of what investigations have been undertaken, what tools are available, and where gaps in information persist. Each Signature Project tags papers, reports, and data from large marine energy research projects, providing easy access and attention to all the output and associated products from each project. The Lessons Learned initiative is intended to ensure that hard-won achievements are recognized and available for those who come later, that missteps and unfortunate outcomes can be prevented in future, and that efficiencies and effective shortcuts can be publicized and used as the marine energy industry moves forward. This initiative builds off the Knowledge Hubs and reaches out to members of the marine energy community, particularly technology developers and researchers, to integrate experience in the development, deployment, assessment, success, and challenges while creating this new industry and field of study.

Copping, Andrea E.↗

DOE OSTI2021

Added value for integrated marine energy data systems

Copping, Andrea E.↗

DOE OSTI2021

Added Value for Integrated Marine Energy Data Systems (February 2021)

Launched in 2019, the Portal and Repository for Information on Marine Renewable Energy (PRIMRE) provides centralized access, standardization, community building, and integration of United States (U.S.) databases, tools and codes, and other resources that cover a range of marine energy information. The PRIMRE universe contains a series of Knowledge Hubs that represent data and information on testing of marine energy devices (MHKDR); environmental effects (Tethys); engineering and technical papers (Tethys Engineering); descriptions of marine energy companies and technologies (Marine Energy Projects Database); codes and models (Marine Energy Software); and guidance on testing and measurements (Telesto). Content is added to PRIMRE by applying a set of Guidelines and Best Practices (PRIMRE Guidelines). An aggregate search across the PRIMRE site enables users to find data and information from all the PRIMRE Knowledge Hubs simultaneously, using a single entry-point (PRIMRE Search). In addition to providing access to a range of data and information on marine energy development, testing, and effects, PRIMRE allows for the development of valueadded products and processes that will help move the marine energy industry forward. The PRIMRE team has recently launched two key initiatives in the U.S.-Signature Projects and Lessons Learned. Outputs and outcomes from these two initiatives will be highlighted in this paper. The Signature Projects initiative is intended to bring focus to a selection of ongoing and completed marine energy projects funded by the U.S. Department of Energy's Water Power Technologies Office (WPTO), and to inform the marine energy community of what investigations have been undertaken, what tools are available, and where gaps in information persist. Each Signature Project tags papers, reports, and data from large marine energy research projects, providing easy access and attention to all the output and associated products from each project. The Lessons Learned initiative is intended to ensure that hard-won achievements are recognized and available for those who come later, that missteps and unfortunate outcomes can be prevented in future, and that efficiencies and effective shortcuts can be publicized and used as the marine energy industry moves forward. This initiative builds off the Knowledge Hubs and reaches out to members of the marine energy community, particularly technology developers and researchers, to integrate experience in the development, deployment, assessment, success, challenges while creating this new industry and field of study.

data sharing↗

DOE OSTI2022

Investigating the role of strangeness in baryon–antibaryon annihilation at the LHC

Annihilation dynamics plays a fundamental role in the baryon–antibaryon interaction ($B–\bar{B}$) at low-energy and its strength and range are crucial in the assessment of possible baryonic bound states. Experimental data on annihilation cross sections are available for the $p–\bar{p}$ system but not in the low relative momentum region. Data regarding the $B–\bar{B}$ interaction with strange degrees of freedom are extremely scarce, hence the modeling of the annihilation contributions is mainly based on nucleon–antinucleon ($N–\bar{N}$) results, when available. In this letter we present a measurement of the $p–\bar{p}$, $p–\bar{Λ}$⊕$p–{Λ}$ and $Λ–\bar{Λ}$ interaction using correlation functions in the relative momentum space in high-multiplicity triggered pp collisions at $\sqrt{s}$=13 TeV recorded by ALICE at the LHC. In the $p–\bar{p}$ system the couplings to the mesonic channels in different partial waves are extracted by adopting a coupled-channel approach with recent χEFT potentials. The inclusion of these inelastic channels provides good agreement with the data, showing a significant presence of the annihilation term down to zero momentum. Predictions obtained using the Lednický–Lyuboshits formula and scattering parameters obtained from heavy-ion collisions, hence mainly sensitive to elastic processes, are compared with the experimental $p–\bar{Λ}$⊕$p–{Λ}$ and $Λ–\bar{Λ}$ correlations. The model describes the $Λ–\bar{Λ}$ data and underestimates the $p–\bar{Λ}$⊕$p–{Λ}$ data in the region of momenta below 200 MeV/c. The observed deviation indicates a different contribution of annihilation channels to the two systems containing strange hadrons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Aerial imagery dataset of lost oil wells

Orphaned wells are wells for which the operator is unknown or insolvent. The location of hundreds of thousands of these wells remain unknown in the United States alone. Cost-effective techniques are essential to locate orphaned wells to address environmental problems. In this paper, we present a dataset consisting of 120,948 aerial images of recently documented orphan wells. Each of these 512 × 512 images is paired with segmentation masks that indicate the presence or absence of such well. These images, sourced from the National Agriculture Imagery Program, cover the continental United States with spatial resolutions ranging from 30 centimeters to 1 meter. Additionally, we included negative examples by selecting locations uniformly across the United States. Accompanying metadata includes the IDs and spatial resolution of the original images, which are available for free through the United States Geological Survey, and the pixel coordinates of documented orphaned wells identified in these images. This dataset is intended to support the development of deep-learning models that can help locating undocumented orphan wells from such imagery, thereby blunting the environmental damage they do.

Climate-change mitigation↗

DOE OSTI2025

Computational Performance Bounds Prediction in Quantum Computing With Unstable Noise

Quantum computing has significantly advanced in recent years, boasting devices with hundreds of quantum bits (qubits), hinting at its potential quantum advantage over classical computing. Yet, noise in quantum devices poses significant barriers to realizing this supremacy. Understanding noise’s impact is crucial for reproducibility and application reuse; moreover, the next-generation quantum-centric supercomputing essentially requires efficient and accurate noise characterization to support system management (e.g., job scheduling), where ensuring correct functional performance (i.e., fidelity) of jobs on available quantum devices can even be higher-priority than traditional objectives. However, noise fluctuates over time, even on the same quantum device, which makes predicting the computational bounds for on-the-fly noise is vital. Noisy quantum simulation can offer insights but faces efficiency and scalability issues. Here, in this work, we propose a data-driven workflow, namely QuBound, to predict computational performance bounds. It decomposes historical performance traces to isolate noise sources and devises a novel encoder to embed circuit and noise information processed by a Long Short-Term Memory (LSTM) network. For evaluation, we compare QuBound with a state-of-the-art learning-based predictor, which only generates a single performance value instead of a bound. Experimental results show that the result of the existing approach falls outside of performance bounds, while all predictions from our QuBound with the assistance of performance decomposition better fit the bounds. Moreover, QuBound can efficiently produce practical bounds for various circuits with over 106 speedup over simulation; in addition, the range from QuBound is over 10× narrower than the state-of-the-art analytical approach.

Li, Jinyang [George Mason Univ., Fairfax, VA (Unit↗

DOE OSTI2022

MCS solutions for the TVA Watts Bar Unit 1 multi-physics depletion benchmark

The high-fidelity solution for exercises 1-3 of the recently developed TVA Watts Bar Unit 1 multi-physics and multi-cycle depletion benchmark using MCS was coupled with two different thermal-hydraulics (TH) codes: TH1D and COBRA-TF (CTF), and their solutions were compared. The solutions from MCS/CTF and MCS/TH1D for typical Pressurized Water Reactor (PWR) problems are quite close. And to evaluate MCS solutions for the benchmark, their results were also compared against measured data as well as publicly available high-fidelity solutions. The MCS criticality solutions at Hot Zero Power (HZP) deviate within 50 pcm against the reference solutions. While for the critical boron concentration (CBC) search calculations, the difference on the MCS calculated CBC is about 7 ppm, and the root-mean-squared (RMS) errors for the assembly power distribution and outlet coolant temperature are less than 0.5% and 1 Celsius degree respectively. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2021

Improved Cross Sections From Group T-2 For 11 B, 151 Eu, 153 Eu, and 165 Ho

Group T-2 has recently completed neutron-induced cross-section evaluations for 11 B, 151 Eu, 153 Eu, and 165 Ho. Evaluations for the latter three isotopes are described in Ref. 1. We have prepared cross-section tables based on the new evaluations for use in C-Division deterministic and Monte Carlo codes. Before describing how to access the new data for your calculations, we will compare some characteristics of the new data with previously available data. ZAID identifiers for the new and old data are listed in Table I, along with the source of the old data.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2023

U-rich U-Mo Solidus, Liquidus, Enthalpy, and Thermal Diffusivity

Several material properties have been studied as a function of composition as part of the USHPRR effort to use U-10Mo for LEU monolithic fuel foils, with special attention to areas where simulation outcomes can be improved. The liquidus and solidus phase boundaries are important for engineering design of processing parameters and for predicting the degree of microsegregation within initial castings. The numerous phase diagram constructions available in the literature differ significantly in their solid/liquid boundary definitions, therefore, an experimental strategy was employed in order to resolve some of the discord. That strategy focuses not on proving any singular point, but instead to provide data with highly characterized uncertainty. The data presented here is the most consistent with the U-rich liquidus and solidus boundaries provided by H. Okamoto (2012), Berche et al. (2011), and Mardon et al. (1959). The recently suggested change in the peritectic reaction temperature (to 1302 K) suggested by Berchè and adopted by Okamoto is also supported, but with lower confidence. The enthalpy of fusion is a basic characteristic of the solidification reaction property for which is required for both research-oriented predictions of behavior and development of applied design strategies for casting engineering. It has been determined that an admixture model for the heat of fusion between U BCC and Mo BCC is a reasonable assumption within the composition region of interest, though limitations of the measurement accuracy impacts the ability to support any trends more detailed than this baseline behavior. A limited number of thermal diffusivity measurements were also performed into the gamma region to provide additional information for solidification modeling and simulations as well as a check on the component properties of thermal conductivity, density, and heat capacity.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Perceptions of Large-Scale Solar Project Neighbors: Results From a National Survey [Slides]

Driven by favorable economics, policy factors, and decarbonization goals, large-scale solar (LSS, defined here as ground-mounted photovoltaic projects ≥1 MWDC) has expanded rapidly in recent years, with more than 90 gigawatts (GW) now installed across the United States. Growth in LSS deployment is anticipated to accelerate in response to growing electricity demand and utility, state, and federal decarbonization goals. This continued expansion hinges, in part, on the continued support of local residents and decision-makers in communities hosting LSS projects. Understanding the perceptions and attitudes of existing LSS neighbors is critical to inform and enable future LSS deployment, and to improve outcomes for those host communities. As of 2022, there were more than 10 million U.S. homes within 3 miles of LSS plants. Yet, until recently, no comprehensive study had examined the experiences and perceptions of these LSS neighbors. In 2023, a Berkeley Lab team worked with the University of Michigan and Michigan State University to conduct the first-of-its-kind nationally representative survey of LSS neighbors as part of the Community-Centered Solar Development research project. The survey effort ultimately collected 984 responses from residents within 3 miles of existing LSS projects. The survey results are available for download via the full summary analysis slide deck report, as well as a shorter (~4 page) summary brief. The survey instrument (questionnaire) is also available for download for those interested in understanding the survey design or replicating questions in future research.

14 SOLAR ENERGY↗

DOE OSTI2023

Advances in the Co-Simulation of Detailed Electrical and Whole-Building Energy Performance

This article describes recent co-simulation advances for the simultaneous modeling of detailed building electrical distribution systems and whole-building energy performance. The co-simulation architecture combines the EnergyPlus® engine for whole-building energy modeling with a new Modelica library for building an electrical distribution system model that is based on harmonic power flow. This new library allows for a higher-fidelity modeling of electrical power flows and losses within buildings than is available with current building electrical modeling software. We demonstrate the feasibility of the architecture by modeling a simple, two-zone thermal chamber with internal power electronics converters and resistive loads, and we validate the model using experimental data. The proposed co-simulation capability significantly expands the capabilities of building electrical distribution system models in the context of whole-building energy modeling, thus enabling more complex analyses than would have been possible with individual building performance simulation tools that are used to date.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

Energy flexibility of residential buildings: A systematic review of characterization and quantification methods and applications

With building electric demand becoming increasingly dynamic, and a growing percentage of intermittent renewable power generation from solar photovoltaics and wind turbines, the power grid is facing increasing challenge to manage the real time balance between the supply and demand. With advancements in smart sensing and metering, smart appliances, electric vehicles, and energy storage technologies, demand side management of residential buildings can help the grid to improve stability by optimizing flexible loads. This paper reviews recent studies on residential building demand side management, with a focus on characterization and quantification of energy flexibility covering various types of flexible loads, metrics, methods, and applications. The reviewed studies showed four levels of applications: building level (45%), district or community level (29%), system level (19%), and building sector level (7%). Shifting loads is the dominant flexibility type in 60% of applications, followed by shedding (19%), generation (16%), and modulating (6%). Depending on the technology and application scope, flexible operations have a wide range of performance, with peak power reductions of 1%~65%, energy savings up to 60%, operational cost reduction of 1%~48%, and greenhouse gas emission reductions of up to29%. More than half (51%) of the studies employed control strategies to achieve flexibility; among those 72% used optimal controls, while 28% used rule-based controls. About 58% of the studies used mathematical formulation to quantify energy flexibility. Most studies were based on simulation, while less than 15% of the studies had measurements from experiments or field tests. The review reveals research opportunities to address significant gaps in the existing literature: (1) establishing a common definition and performance metrics for energy flexibility of buildings that are technology and application agnostic, (2) developing an ontology to standardize representation of flexibility resources for interoperability, (3) integrating occupant impacts into the quantification and optimization of energy flexibility, and (4) developing requirements and credits of energy flexibility in building energy codes and standards. Findings from the review can inform future research and development of energy flexible buildings which are essential to a reliable and resilient power grid.

Li, H↗

DOE OSTI2022

Nuclear Data Sheets for A=48

Experimental nuclear structure data from various reactions and decays are compiled and evaluated for all known nuclides with mass number A=48 (S, Cl, Ar, K, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni). For each nuclide, detailed evaluated nuclear structure information is presented for each individual reaction and decay, and the best values combining all available data are recommended for spectroscopic properties, such as level energies, half-lives, γ-ray energies and intensities, decay radiations. No excited states have been identified in 48 S, 48 Cl, 48 Co and 48 Ni, among which the first three even have no measured ground-state half-lives and decay modes. For 48 Fe, a level scheme with a sequence of excited states was established for the first time from a recent one-neutron removal measurement by 2021Ya33. Data for excited states in 48 Ar, 48 K and 48 Mn remain limited; no decay scheme has been measured for 48 Ar and 48 K yet, while the decay scheme for 48 Ni is incomplete due to unobserved levels. 48 Ti is the most studied nuclide through various reactions and decays, followed by 48 V, 40 Ca, 48 Sc, and 48 Cr, among which no decay event to 48 Sc has been observed and the decay schemes for 48 V and 48 Cr are considered as incomplete. Furthermore, this work supersedes the previous full evaluations of A=48: 2006Bu08, 1993Bu04, 1985Al14, 1978Be01.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Beams of polarized hadrons at EIC: Action plan to address acute challenges

In the recent years, more and more groups in the field of polarization instrumentation and technology have disappeared, taking their expertise in the experimental technologies with them. When the RHIC was conceived, there were numerous experimental and theoretical groups around the world from which experts could be recruited to build new instruments, powerful sources, specialized detector systems, investigate new approaches and concepts, and much more. We should recognize that we presently are in a critical situation regarding the availability of skilled individuals to provide and service the required instruments to make the EIC a success. We need to rejuvenate the field of polarization technology, especially for hadrons, and significantly expand education and training efforts. The document highlights a number of key areas that require attention. Three scientists/engineers/postdocs and at least one or two PhD students should be sought immediately to start building a group capable of tackling the future tasks and challenges in hadron polarimetry at the EIC.

43 PARTICLE ACCELERATORS↗