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DOE OSTI2024

RESONANT MATCHING SECTION FOR CEBAF ENERGY UPGRADE

Thomas Jefferson National Accelerator Facility (Jeffer- son Lab) currently studies the feasibility of upgrading its energy to 22 GeV. It considers addition of six more linac passes. The highest energy passes will share two new arcs designed using the Fixed-Field Alternating Gradient (FFA) technology. The FFA arcs are built using permanent combined-function magnets. They will be connected to the linacs through transition sections that will match the optics of all six passes to the linacs. With the high number of con- straints and the limited space available, we are investigating a parametric resonance technique to match the optics quasi- independently at each energy. A resonance is excited at each individual energy to selectively control its optics. The reso- nant dipole and quadrupole kick harmonics are imposed for all energies simultaneously using Panofsky corrector mag- nets placed throughout the FFA arcs. This paper presents the current progress on that transition section design

Deitrick, K.↗

DOE OSTI2022

Quantitative Biostratigraphic Analysis and Age Estimates of Middle Cretaceous Sequences in The Baltimore Canyon Trough, Offshore Mid-Atlantic U.S. Margin

ABSTRACT We applied quantitative methods to previously published biostratigraphic data from the Baltimore Canyon Trough (offshore of the Mid-Atlantic U.S.A.) to provide an improved chronostratigraphic framework for Cretaceous sequences. Here, we successfully used graphic correlation of 228 planktonic foraminifera, nannofossil, and palynological events spanning 22 wells to define assemblage and interval zones as well as major paleoenvironmental changes in the Dawson Canyon, Logan Canyon (three sequences), and Missisauga Formations (two sequences, undifferentiated here). Ranking and scaling techniques were not successful because of the of the limited number of usable biostratigraphic markers. The ages of the sequences previously identified using well logs and seismic profiles were temporally constrained based on chronostratigraphically significant biostratigraphic markers that we identified: the late Cenomanian to Turonian DCx sequence (Rotalipora cushmani and Thalmanninella greenhornensis); the early Cenomanian LC1 sequence; the middle and late Albian LC2 sequence (Braarudosphaera africana, Planomalina buxtorfi, and Spinidinium vestitum); the late Aptian LC3 sequence (Cyclonephelium tabulatum); and the early Aptian to Barremian Missisauga sequences (Aptea anaphrissa, Pseudoceratium pelliferum, and Muderongia simplex). These five biostratigraphic associations are correlated with six prominent seismic reflectors and sequence boundaries that can be traced across the basin. Duration of hiatuses associated with these sequence boundaries are uncertain, though our Monte Carlo analysis allows extraction of age estimates from broad and sometimes contradictory ranges and suggests correlation of hiatuses with global sea-level falls. Together, these seismic and biostratigraphic interpretations can be applied (1) to evaluate reservoir continuity and the viability of offshore carbon storage reservoirs in the Baltimore Canyon Trough, (2) to better define the tectonostratigraphic evolution of the basin, and (3) to contribute to the understanding of regional and global variations in Cretaceous sea level.

Paleontology↗

DOE OSTI2021

Evaluation of the Polymer Characterization Capabilities of Matrix-Assisted Laser Desorption/Ionization (Literature Review)

Matrix-assisted laser desorption/ionization (MALDI) is becoming a key method in expanding the characterization capabilities of synthetic polymers. While there are still some analytical limitations, technological and methodological improvements have greatly improved this technique for analyzing large molecules. This paper serves as an investigation into MALDI-Time of Flight (TOF) capabilities and potential applications as the Material Science Division at Los Alamos National Laboratory seeks to expand its analytical capabilities. Three MALDI-TOF instrument offerings from Bruker, an industry-leader in MALDI-TOF polymer analysis that will evaluated in further detail.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Conduct weld campaign (FY-21-1) on irradiated materials provided by the Canadian Nuclear Laboratory (CNL), including baseline post-weld evaluation and testing

A collaborative research on developing advanced welding technologies for irradiated stainless steel 304 materials between CNL and ORNL has been established to support both U.S. and Canadian interests in evaluation of weld repair techniques on irradiated materials to support continuous operation of commercial nuclear power. The work utilizes unique material from the National Research Universal (NRU) reactor and the specialized welding hot cell facility at ORNL. The objective is to explore suitable welding technique and parameters and to determine the helium concentration limitation in terms of irradiated stainless-steel weldability. An additional objective is to develop the knowledge and understanding of cracking mechanisms induced by high concentration of helium in the process of weld repair of the irradiated structural alloys. This report summarizes the experimental welding evaluation on irradiated material from the NRU reactor containing helium concentrations ranging from 12 to 45 atomic parts per million (appm).

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

HFTS-2 (Final Report)

This report delves into the research program, identified tasks, various studies, observations, results, and conclusions under the Hydraulic Fracturing Test Site (HFTS-2) project. This test site is located in Loving County close to the Texas, New Mexico border. The program targeted the Wolfcamp formation in Delaware Basin. The aim of the project was to improve our understanding of hydraulic fracturing processes to not only optimize unconventional resource development in US Basins but to minimize environmental footprint as well. Various new diagnostic technologies were demonstrated at this site, including distributed acoustic microseismic, high resolution strain using Rayleigh frequency band (DSS-RFS), and in-fill proppant logging tool. Significant conclusions from this study include: 1) lateral and vertical fracture growth mapping as well as proppant transport behavior, 2) Use of DSS-RFS as a diagnostic tool to understand cluster level behavior, 3) Validation of proppant log, both at core scale as well as in-fill well implementation, and 4) New modeling tools to map far-field strain response using distributed strain sensing data. Specifically, far-field fracture distribution is influenced by linear fracture corridors defined by the stress-state as well as clustering behavior influenced by spatio-temporal effects. Depletion impacts on new stimulation was demonstrated and technically quantified. Significant vertical fracture height growth was observed. However, our understanding is limited by available gauge data availability. Numerical strain modeling techniques have been developed and demonstrated to help understand observed strain response behavior. Finally, proppant log has been further validated as a useful tool to map propped zones within the SRV. It has also shown very strong correlation with observed drawdown behavior at this test site. This report will detail many of these studies as well as technical results and conclusions from said studies. These include general subsurface characterization work, completion designs as implemented, studies looking at fracture geometry, high resolution microseismic study including source mechanisms, advanced DSS-RFS studies including drainage characterization, core characterization results, proppant analysis (core and in-fill child well), geochemistry, etc.

02 PETROLEUM↗

DOE OSTI2023

Collaborative Study on Weldability of Irradiated Stainless Steel 304 Materials Removed from The NRU Reactor

36 MATERIALS SCIENCE↗

DOE OSTI2023

Overcoming magnetic susceptibility broadening in NMR of coin cell batteries to achieve chemical resolution

We develop methods for previously introduced NMR hardware that enables sensitive, noninvasive spectroscopic study of coin cell batteries, by overcoming the magnetic field distortions intrinsic to the battery limited chemical resolution. Specifically, we employ an interferometric NMR technique to overcome field heterogeneity, reducing peak widths by two orders of magnitude and obtaining chemically resolved solution-state spectra.

25 ENERGY STORAGE↗

DOE OSTI2025

Analog Systems for Edge Optimization

Over the past decade, analog computing has the subject of substantial research interest providing a path toward improved computational efficiency in the post-Dennard era. Analog matrix vector multiplication (MVM) accelerators provide a popular approach given the ubiquity of MVM operations in numerous applications. However, historically analog computing systems can struggle with applications requiring high precision due to the inherent susceptibility of these systems to analog non-idealities. Therefore, prior work on analog systems has focused either on applications known to be tolerant of limited precision (e.g., neural network inference), or using expensive techniques to emulate high-precision using many analog MVM operations. In this work, we propose an alternative approach. Motivated by recent advances in inexact nonlinear solvers and optimizers, we explore the potential of co-designing optimization algorithms which can take full advantage of the fundamentally inexact analog MVM operations. To enable these co-designed algorithms we also develop a general mathematical theory of the precision and energy efficiency of analog operations, and a new system architecture for tightly-coupled analog and digital computation. Finally, we examine the applicability of analog computing to a wider class of symmetric positive definite systems and find potential in using analog operations as a sparse approximate inverse preconditioner. With these core innovations, this project provides a path toward effectively implementing optimization algorithms on power-constrained autonomous and semi-autonomous systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Nucleic Acid-Based Sensing Techniques for Diagnostics and Surveillance of Influenza

Influenza virus poses a threat to global health by causing seasonal outbreaks as well as three pandemics in the 20th century. In humans, disease is primarily caused by influenza A and B viruses, while influenza C virus causes mild disease mostly in children. Influenza D is an emerging virus found in cattle and pigs. To mitigate the morbidity and mortality associated with influenza, rapid and accurate diagnostic tests need to be deployed. However, the high genetic diversity displayed by influenza viruses presents a challenge to the development of a robust diagnostic test. Nucleic acid-based tests are more accurate than rapid antigen tests for influenza and are therefore better candidates to be used in both diagnostic and surveillance applications. We review various nucleic acid-based techniques that have been applied towards the detection of influenza viruses in order to evaluate their utility as both diagnostic and surveillance tools. We discuss both traditional as well as novel methods to detect influenza viruses by covering techniques that require nucleic acid amplification or direct detection of viral RNA as well as comparing advantages and limitations for each method. There has been substantial progress in the development of nucleic acid-based sensing techniques for the detection of influenza virus. However, there is still an urgent need for a rapid and reliable influenza diagnostic test that can be used at point-of-care in order to enhance responsiveness to both seasonal and pandemic influenza outbreaks.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

PREEMPT: Scalable Epidemic Interventions Using Submodular Optimization on Multi-GPU Systems

Preventing and slowing the spread of epidemics is achieved through techniques such as vaccination and social distancing. Given practical limitations on the number of vaccines and cost of administration, optimization becomes a necessity. Previous approaches using mathematical programming methods have shown to be effective but are limited by computational costs. In this work, we make several contributions: First, we present a new approach for intervention via maximizing the influence of vaccinated nodes on the network. We call this method \preempt. Next, we prove submodular properties associated with the objective function of our method so that it aids in construction of an efficient greedy approximation strategy. Consequently, we present a new parallel algorithm based on greedy hill climbing for \preempt, and present an efficient parallel implementation for distributed CPU-GPU heterogeneous platforms. Our results demonstrate that \preempt{} is able to achieve a significant reduction (up to 6.75$\times$) in the percentage of people infected on a city-scale network. We also show strong scaling results of \preempt{} on 128 nodes of the Summit supercomputer. Our parallel implementation is able to significantly reduce time to solution, from hours to minutes on large networks. This work represents a first-of-its-kind effort in parallelizing greedy hill climbing and applying it toward devising effective interventions for epidemics.

Minutoli, Marco↗

DOE OSTI2022

Constraints on the electron-hole pair creation energy and Fano factor below 150 eV from Compton scattering in a Skipper-CCD

Fully-depleted thick silicon Skipper-charge-coupled devices (Skipper-CCDs) have achieved sub-electron read-out noise and are an important technology to probe neutrino and light dark matter interactions. However, the successful search for rare neutrino or dark-matter events requires the signal and all backgrounds to be fully characterized. In particular, a measurement of the electron-hole pair creation energy below 150 eV and the Fano factor are necessary for characterizing the dark matter and neutrino signals. Moreover, photons from background radiation may Compton scatter in the silicon bulk, producing events that can mimic a dark matter or neutrino signal. We present a measurement of the Compton spectrum using a Skipper-CCD and a $^{241}$Am source. With these data, we measure the electron-hole pair-creation energy to be $\left(3.71 \pm 0.08\right)$ eV at 130 K in the energy range between 99.3 eV and 150 eV. By measuring the widths of the steps at 99.3 eV and 150 eV in the Compton spectrum, we introduce a novel technique to measure the Fano factor, setting an upper limit of 0.31 at 90% C.L. These results prove the potential of Skipper-CCDs to characterize the Compton spectrum and to measure precisely the Fano factor and electron-hole pair creation energy below 150 eV.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2026

Nb3Sn Superconducting Radiofrequency Cavity Fabricated by Sputter Deposition from a Stoichiometric Target

Nb$_3$Sn is a promising coating material for superconducting radiofrequency cavities in next-generation accelerators due to its higher superconducting transition temperature (~18.3 K) and superheating field (~400 mT), offering the potential to surpass the intrinsic performance limits of bulk niobium. We developed a sputter coating technique employing a stoichiometric target to fabricate Nb$_3$Sn films on the inner surfaces of niobium cavities. A Nb$_3$Sn tube target, prepared by growing a >20 m thick Nb$_3$Sn coating on the surface of a Nb tube via a Sn vapor diffusion process, was used in a DC cylindrical magnetron sputtering system. Approximately 170 nm thick Nb-Sn films were sputter-coated onto flat Nb substrates positioned to replicate the beam tube and equator regions of a 2.6 GHz cavity, followed by annealing at 950 °C for 3 hours to form Nb$_3$Sn. The composition, morphology, and structure of the annealed Nb$_3$Sn films were examined. Then, a ~1.2 m-thick film was sputter-coated onto the interior of a 2.6 GHz Nb cavity following the procedure developed for the flat samples. The cavity was subsequently annealed under the same conditions used for the flat samples. Cryogenic RF testing of the sputter-coated cavity demonstrated a T$_c$ of approximately 17.8 K, consistent with Nb$_3$Sn layer. Subsequently, the cavity underwent a light Sn recoating followed by a vapor diffusion Nb$_3$Sn coating process, achieving a quality factor of approximately 8.5 × 10$^9$ and an accelerating gradient of up to 11.3 MV/m at 4.2 K.

Shakel, Md Sharifuzzaman [Old Dominion U.; Jeffers↗

DOE OSTI2025

End-to-end protocol for high-quality quantum approximate optimization algorithm parameters with few shots

The quantum approximate optimization algorithm (QAOA) is a quantum heuristic for combinatorial optimization that has been demonstrated to scale better than state-of-the-art classical solvers for some problems. For a given problem instance, QAOA performance depends crucially on the choice of the parameters. While average-case optimal parameters are available in many cases, meaningful performance gains can be obtained by fine-tuning these parameters for a given instance. This task is especially challenging, however, when the number of circuit executions (shots) is limited. In this work, we develop an end-to-end protocol that combines multiple parameter settings and fine-tuning techniques. We use large-scale numerical experiments to optimize the protocol for the shot-limited setting and observe that optimizers with the simplest internal model (linear) perform best. We implement the optimized pipeline on a trapped-ion processor using up to 32 qubits and 5 QAOA layers, and we demonstrate that the pipeline is robust to small amounts of hardware noise. To the best of our knowledge, these are the largest demonstrations of QAOA parameter fine-tuning on a trapped-ion processor in terms of two-qubit gate count.

quantum algorithms & computation↗

DOE OSTI2020

A Review of Existing Test Methods for Occupancy Sensors

One of the key new features of connected lighting systems (CLS) is their ability to collect data from various types of integral sensors and share that data with other lighting or building systems. Occupancy and vacancy sensors have been widely adopted as an energy-saving strategy in buildings, yet published test methods for reproducibly characterizing their performance remain few and limited in their sophistication. As a result, it has been difficult to predict their performance in a specific application, and in practice, they frequently do not meet energy-savings expectations. Occupants at times remove or otherwise bypass occupancy sensors that hinder their work or otherwise do not perform as expected, thereby compromising the sensors’ potential to reduce energy consumption. Poor performance can result from multiple causes – ranging from fundamental limitations of the sensor technology, to misconfiguration, to poor placement in the room or space. Innovative occupancy sensors, some of them combining multiple sensing technologies, have come on the market over the years, with claims of improved performance compared to their predecessors; yet in practice, their performance has led to neither high deployment nor high user satisfaction in any significant application, nor has it differed enough from the performance of previous products to necessitate a test method that facilitated comparison between them. While the performance of both common and novel occupancy sensors has been the subject of many published research articles, the test methods that have been employed for them have typically been loosely described and incorporated custom equipment or techniques that render them difficult to reproduce, or have been limited in their ability to fairly characterize devices that utilize varying sensor technology. The lack of a well-described, technology-agnostic test method that yields reproducible results across different implementations has been a barrier to the commercial success of new occupancy sensor products, as users and specifiers who have been disappointed with previous products are often unwilling to take a chance with new ones. Motivated by a desire to fairly characterize new technologies that continue to enter the market and claim not only improved occupancy detection but, in some cases, also additional capabilities (e.g., the ability to measure traffic or discern between different object types), this report presents the results of a literature review of recent published, well-described test methods for characterizing occupancy sensor performance, as well as research articles containing ad-hoc test methods. The review also identifies and consolidates the best techniques for characterizing sensor performance in indoor spaces and identifies test method gaps that need to be filled in order to evaluate emerging technologies and products.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Assessment of fine-tuned large language models for real-world chemistry and material science applications

The current generation of large language models (LLMs) has limited chemical knowledge. Recently, it has been shown that these LLMs can learn and predict chemical properties through fine-tuning. Using natural language to train machine learning models opens doors to a wider chemical audience, as field-specific featurization techniques can be omitted. In this work, we explore the potential and limitations of this approach. We studied the performance of fine-tuning three open-source LLMs (GPT-J-6B, Llama-3.1-8B, and Mistral-7B) for a range of different chemical questions. We benchmark their performances against “traditional” machine learning models and find that, in most cases, the fine-tuning approach is superior for a simple classification problem. Depending on the size of the dataset and the type of questions, we also successfully address more sophisticated problems. The most important conclusions of this work are that, for all datasets considered, their conversion into an LLM fine-tuning training set is straightforward and that fine-tuning with even relatively small datasets leads to predictive models. These results suggest that the systematic use of LLMs to guide experiments and simulations will be a powerful technique in any research study, significantly reducing unnecessary experiments or computations.

Van Herck, Joren↗

DOE OSTI2020

Confirming the absence of nuclear warheads via passive gamma-ray measurements

Arms-control agreements between the United States and Russia negotiated after the end of the Cold War have imposed limits on the number of deployed strategic nuclear weapons. Verification of these agreements has relied on onsite inspections, sometimes supported by radiation detection techniques to confirm the absence of a nuclear warhead when ambiguities arise. So far, these measurements have sought to detect neutron emissions associated with the presence of plutonium, but they would be inadequate for uranium devices. In an effort to offer instruments that could be used to confirm the absence of both plutonium and uranium weapons, here we propose an inspection system that uses only passive gamma radiation detection techniques. Such a system would be particularly valuable for next-generation arms-control agreements that limit total numbers of weapons and would involve containerized items in storage. We conducted extensive Monte Carlo simulations to support the development of a verification protocol and detection algorithm. Here, we demonstrate the viability of the technique using standard laboratory check sources and MCNP simulations for simplified configurations of special nuclear material.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2025

Antenna arrays for neutrino mass measurements with cyclotron radiation emission spectroscopy

Cyclotron Radiation Emission Spectroscopy (CRES) is a technique for precision measurements of kinetic energies of charged particles, pioneered by the Project 8 experiment to measure the neutrino mass using the tritium end-point method. It was recently employed for the first time to measure the molecular tritium spectrum and place a limit on the neutrino mass using a cubic-centimeter-scale detector. Future direct neutrino mass experiments are developing the technique to overcome the systematic and statistical limitations of current detectors. Here, this paper describes one such approach, namely the use of antenna arrays for CRES in free space. Phenomenology, detector design, simulation, and performance estimates are discussed, culminating with an example design with a projected sensitivity of 𝑚 𝛽 < ⁢0.04 eV/𝑐 2 . Prototype antenna array measurements are also shown for a demonstrator-scale setup as a benchmark for the simulation. By consolidating these results, this paper serves as a comprehensive reference for the development and performance of antenna arrays for CRES.

Physics - Nuclear physics and radiation physics↗

DOE OSTI2020

A Review of Existing Test Methods for Occupancy Sensors

One of the key new features of connected lighting systems (CLS) is their ability to collect data from various types of integral sensors and share that data with other lighting or building systems. Occupancy and vacancy sensors have been widely adopted as an energy-saving strategy in buildings, yet published test methods for reproducibly characterizing their performance remain few and limited in their sophistication. As a result, it has been difficult to predict the performance of such sensors in a specific application, and in practice, they frequently do not meet energy-savings expectations. Occupants at times remove or otherwise bypass occupancy sensors that hinder their work or otherwise do not perform as expected, thereby compromising the sensors’ potential to reduce energy consumption. Poor performance can result from multiple causes – ranging from fundamental limitations of the sensor technology, to misconfiguration, to poor placement in the room or space. Innovative occupancy sensors, some of them combining multiple sensing technologies (i.e., multimodal), have come on the market over the years, with claims of improved performance compared to their predecessors. However, in practice, their performance has neither differed enough from the performance of previous products to necessitate a test method that facilitated comparison between them, nor has it led to high deployment or high user satisfaction in human-occupied spaces with persistent presence. While the performance of both common and novel occupancy sensors has been the subject of many published research articles, the test methods that have been employed for them typically have been loosely described and have incorporated custom equipment or techniques that render them difficult to reproduce, or have been limited in their ability to fairly characterize devices that utilize varying sensor technology. The lack of a fully described, technology-agnostic test method that yields reproducible results across different implementations has been a barrier to the commercial success of new occupancy-sensor products, as users and specifiers who have been disappointed with previous products are often unwilling to take a chance with new ones. Motivated by a desire to fairly characterize new technologies that continue to enter the market and claim not only improved occupancy detection but, in some cases, additional capabilities (e.g., the ability to measure traffic or discern between different object types), this report presents the results of a literature review of recently published fully described test methods for characterizing occupancy-sensor performance, as well as research articles containing ad-hoc test methods. The review also identifies and consolidates test conditions for characterizing sensor performance in indoor spaces and identifies apparent test method gaps that need to be filled in order to evaluate emerging technologies and products. The identified test-method conditions are intended to enable the development of a future technology-agnostic test method that facilitates occupancy-sensor performance characterization more-accurately representing performance in buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗