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Lawrence Berkeley National Laboratory 2016 Annual Financial Report

FY2016 was a year of significant change and progress at Berkeley Lab. In March, Laboratory Director Michael Witherell assumed his new role when former Lab Director Paul Alivisatos became Vice Chancellor for Research at UC Berkeley. Dr. Witherell has solidified the Lab’s strategy, with a focus on long term science and technology priorities. Large-scale science efforts continued to expand at the Lab, including the Dark Energy Spectroscopic Instrument now heading towards construction, and the LUX-ZEPLIN dark matter detector to be built underground in South Dakota. Another proposed project, the Advanced Light Source-Upgrade, was given preliminary approval and will be the Lab’s largest scientific investment in years. Construction of the Integrative Genomics Building began, and will bring together researchers from the Lab’s Joint Genome Institute, now based in Walnut Creek, and the Systems Biology Knowledgebase (K-Base) under one roof. Investment in the Lab’s infrastructure also continues, informed by the Lab’s Infrastructure Strategic Plan. Another important focus is on developing the next generation of scientists with the talent and diversity needed to sustain Berkeley Lab’s scientific leadership and mission contributions to DOE and the Nation. Berkeley Lab received $897.5M in new FY2016 funding, a 12.5% increase over FY2015, for both programmatic and infrastructure activities. While the Laboratory experienced a substantial increase in funding, it was accompanied by only a modest increase in spending, as areas of growth were partially offset by the completion of several major efforts in FY2015. FY2016 costs were $826.9M, an increase of 1.9% over FY2015. Similar to the prior year, the indirect-funded Operations units worked with generally flat budgets to yield more funding for strategic needs. A key challenge for Berkeley Lab continues to be achieving the best balance to fund essential investments, deliver highly effective operational mission support and remain cost-competitive. Through a comprehensive approach to prioritize competing needs, the Lab ended the year in a favorable financial position. The Office of the Chief Financial Officer (OCFO) played a key role in providing analysis and decision support to Executive Leadership, enabling the Lab to enhance its financial management strategies. In FY2016, the OCFO updated its analytic approaches and models to enhance long term financial projections under various funding and investment scenarios, and to assess total cost of ownership for major proposed investments. These improvements provided the new Lab Director and Senior Leadership with more comprehensive information and analytic support for planning and prioritization efforts. Within the OCFO, we focused on core operations and key initiatives defined in our OCFO Strategic Roadmap. The Lab’s Financial System transitioned from stabilization to optimization, with a focus on expanding the financial reporting capabilities considerably. We completed implementation of the eCommerce platform, achieving a notable outcome for the Lab in close partnership with DOE’s Office of Science. In other accomplishments, we launched a financial literacy program to enable Lab managers and staff to understand and execute their financial management and stewardship responsibilities more effectively; made substantial progress in enhancing our Field Finance model that provides financial support to client divisions and areas; developed a business process governance model to define OCFO business processes, clarify roles, and strengthen service delivery; and implemented a Partners in Leadership training program to build leadership capacity among our staff. We completed a ‘refresh’ of our Strategic Roadmap, which now defines our priorities for FY2017-FY2019. As a part of this effort, we made a subtle but important change to the OCFO mission statement to call out the Lab’s research and stewardship mission to sustain the Lab’s science and technology capabilities now and into the future. Berkeley Lab’s FY2016 progress on all fronts - scientific, operations, and financial management – position the Lab to continue bringing science solutions to the world as we charge into the 21st Century.

Source record↗

Sparse Matrix-Based HPC Tomography

Tomographic imaging has benefited from advances in X-ray sources, detectors and optics to enable novel observations in science, engineering and medicine. These advances have come with a dramatic increase of input data in the form of faster frame rates, larger fields of view or higher resolution, so high performance solutions are currently widely used for analysis. Tomographic instruments can vary significantly from one to another, including the hardware employed for reconstruction: from single CPU workstations to large scale hybrid CPU/GPU supercomputers. Furthermore, flexibility on the software interfaces and reconstruction engines are also highly valued to allow for easy development and prototyping. This paper presents a novel software framework for tomographic analysis that tackles all aforementioned requirements. The proposed solution capitalizes on the increased performance of sparse matrix-vector multiplication and exploits multi-CPU and GPU reconstruction over MPI. Furthermore, the solution is implemented in Python and relies on CuPy for fast GPU operators and CUDA kernel integration, and on SciPy for CPU sparse matrix computation. As opposed to previous tomography solutions that are tailor-made for specific use cases or hardware, the proposed software is designed to provide flexible, portable and high-performance operators that can be used for continuous integration at different production environments, but also for prototyping new experimental settings or for algorithmic development. The experimental results demonstrate how our implementation can even outperform state-of-the-art software packages used at advanced X-ray sources worldwide.

97 MATHEMATICS AND COMPUTING↗

Accessing Atomic-scale Phosphorus Dopant Distribution in Precise Silicon Devices by Advanced STEM Imaging and Spectroscopy

The structural and chemical characterization at the atomic-scale plays a critical role in understanding the structure-property relationship in precise electrical devices such as those produced by atomic-precision advanced manufacturing (APAM). APAM, utilizing hydrogen lithography in a scanning tunneling microscope, offers a potential pathway to ultra-efficient transistors, and has been developed to produce phosphorus (P)-based donor devices integrated into bare Si substrates. Structural characterization of the buried, Si with P dopant (Si:P) delta-layer in the devices by scanning transmission electron microscopy (STEM), however, is a challenge due to similar atomic number and low concentration of the P dopants. In this paper, we describe several efforts of utilizing advanced STEM imagining and spectroscopic techniques to quantify the Si:P deltalayers. STEM imaging combining low-angle and high-angle annular dark-field (LAADF, HAADF) detectors as well as atomic-scale elemental mapping using energy-dispersive X-ray spectroscopy (EDS) are used to reveal the P and defect distribution across the delta-layer processed under various thermal conditions.

47 OTHER INSTRUMENTATION↗

Prismatic analyser concept for neutron spectrometers

Developments in modern neutron spectroscopy have led to typical sample sizes decreasing from few cm to several mm in diameter samples. We demonstrate how small samples together with the right choice of analyser and detector components makes distance collimation an important concept in crystal analyser spectrometers. We further show that this opens new possibilities where neutrons with different energies are reflected by the same analyser but counted in different detectors, thus improving both energy resolution and total count rate compared to conventional spectrometers. The technique can readily be combined with advanced focussing geometries and with multiplexing instrument designs. We present a combination of simulations and data showing three different energies simultaneously reflected from one analyser. Experiments were performed on a cold triple axis instrument and on a prototype inverse geometry Time-of-flight spectrometer installed at PSI, Switzerland, and shows excellent agreement with the predictions. Typical improvements will be 2.0 times finer resolution and a factor of 1.9 in flux gain compared to a focussing Rowland geometry, or of 3.3 times finer resolution and a factor of 2.4 in flux gain compared to a single flat analyser slab.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

WE-H-207A-01: Computational Evaluation of High-Resolution 18F Positron Imaging Using Radioluminescence Microscopy with Lu2O3: Eu Thin-Film Scintillator

Purpose: Radioluminescence microscopy, an emerging and powerful tool for high resolution beta imaging, has been applied to molecular imaging of cellular metabolism to understand tumor biology. A novel thin-film (10 µm thickness) scintillator made of Lu{sub 2}O{sub 3}: Eu has been developed to enhance the system performance. However the advances of radioluminescence imaging with Lu{sub 2}O{sub 3}scintillator compared with that using conventional scintillator have not been explored theoretically to date. To validate the advantages of the thin-film scintillator, this study uses a novel computational simulation framework to evaluate the performance of radioluminescence microscopy using both conventional and thin-film scintillators. Methods: Numerical models for different stages of positron imaging are established. Positron from {sup 18}F passing through the scintillator and its neighbor structures are modeled by Monte-Carlo simulation using Geant4. The propagation and focus of photons by the microscope are modeled by convolution with a depth-varying point spread function generated by the Gibson-Lanni model. Photons focused on the detector plane are then captured and converted into electronic signals by an electron multiplication (EM) CCD camera, which is described by a photosensor model considering various noises and charge amplification. Results: The performance metrics of radioluminescence imaging with a thin-film Lu{sub 2}O{sub 3} and conventional CdWO{sub 4} scintillator are compared, including spatial resolution, sensitivity, positron track area and intensity. The spatial resolution of Lu{sub 2}O{sub 3} system can achieve 10 µm maximally, a 12 µm enhancement from that obtained from CdWO{sub 4} system. Meanwhile, the system with Lu{sub 2}O{sub 3} scintillator can provide a higher mean sensitivity: 40% compared with that (21.5%) obtained from CdWO{sub 4} system. Moreover, the simulation results are in good agreement with previous experimental measurements. Conclusion: This study provides a new theoretical understanding of our imaging system and has the potential to promote the development of radioluminescence microscopy for more reliable and robust application on the functional imaging of delicate biological structures. The authors acknowledge funding from NIH grant R01CA186275 and SBIR grant 1R43GM110888-01.

60 APPLIED LIFE SCIENCES↗

An improved Method for Determining Transient Fuel Dilution of Oil in an Internal-Combustion Engine Using Laser-Induced Florescence and Multivariate Least Square Calibration

An optical diagnostic, based on laser-induced fluorescence (LIF), has been developed for on-engine measurements of real-time fuel dilution of engine oil or fuel in oil (FIO). Fuel dilution of oil is broadly relevant to advancing engine technology including durability, calibration, and catalyst-system management, and believed to promote destructive stochastic pre-ignition (SPI) during high-load engine operations. While standard (e.g., ASTM D3524-90) methods are not capable of real-time transient measurements, the LIF technique resolves transient dilution on the minutes time scale. We have expanded on our original FIO instrument development by introducing an improved analysis based on multivariate least square chemometrics analysis. The measurement uses a fuel dye (180–1300 parts per million, by mass) and monitors for its presence in the oil using 532 nm excitation and LIF. While the original FIO instrument utilized a two-color ratio method for analysis, the improved chemometric analysis uses the fully resolved LIF dye spectra to provide better predictive FIO accuracy (>92%) over a wide FIO range (1.5–14%) typical of engine application. We also investigate the effect of oil temperature on the LIF signal. Limited engine applications for demonstrating and validating the improved FIO instrument are shown, and the related data used to quantify practical detection limit and sensitivity. The improved analysis is insensitive to laser power fluctuation and change in detector integration time, providing an excellent FIO sensitivity (1–2%) and detection limit (0.01 %FIO) over a wide range of loads and injection timings, illustrating this updated approach to be a promising tool for advancing engine technology.

42 ENGINEERING↗

A New Residual Strain Mapping Program Using Energy Dispersive X-Ray Diffraction at the Advanced Photon Source

Here, the ability to non-destructively map the residual strain field inside an engineering component is important for predicting its fatigue life or developing processing methods to prevent failure or enhance performance. In this paper, we describe a new residual strain mapping program at the Advanced Photon Source, Argonne National Laboratory. The new program is based on energy dispersive x-ray diffraction (EDXRD). It is capable of non-destructively penetrating a several- cm thick polycrystalline sample fabricated from engineering alloys using high-energy x-rays and measuring the residual strain field with mm or better spatial resolution and approximately ±1 x 10 -4 strain resolution. A multi-element detector array is employed to measure multiple strain components simultaneously. The residual strain mapping setup is augmented with a high-energy tomography capability, allowing precise alignment of the material volume of interest for residual strain mapping and providing a complementary view of the structure to understand the measured strain field. These measurement capabilities are demonstrated using several strain mapping examples ranging from polycrystalline structural alloys to biological materials. We also provide some guidance for the future users of the program for a successful residual strain mapping experiment. We are expanding the capabilities of the new setup with various in situ capabilities including thermo-mechanical loading.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

TU-AB-207A-03: Image Quality, Dose, and Clinical Applications

Practicing medical physicists are often time charged with the tasks of evaluating and troubleshooting complex image quality issues related to CT scanners. This course will equip them with a solid and practical understanding of common CT imaging chain and its major components with emphasis on acquisition physics and hardware, reconstruction, artifacts, image quality, dose, and advanced clinical applications. The core objective is to explain the effects of these major system components on the image quality. This course will not focus on the rapid-changing advanced technologies given the two-hour time limit, but the fundamental principles discussed in this course may facilitate better understanding of those more complicated technologies. The course will begin with an overview of CT acquisition physics and geometry. X-ray tube and CT detector are important acquisition hardware critical to the overall image quality. Each of these two subsystems consists of several major components. An in-depth description of the function and failure modes of these components will be provided. Examples of artifacts related to these failure modes will be presented: off-focal radiation, tube arcing, heel effect, oil bubble, offset drift effect, cross-talk effect, and bad pixels. The fundamentals of CT image reconstruction will first be discussed on an intuitive level. Approaches that do not require rigorous derivation of mathematical formulations will be presented. This is followed by a detailed derivation of the Fourier slice theorem: the foundation of the FBP algorithm. FBP for parallel-beam, fan-beam, and cone-beam geometries will be discussed. To address the issue of radiation dose related to x-ray CT, recent advances in iterative reconstruction, their advantages, and clinical applications will also be described. Because of the nature of fundamental physics and mathematics, limitations in data acquisition, and non-ideal conditions of major system components, image artifact often arise in the reconstructed images. Because of the limited scope of this course, only major imaging artifacts, their appearance, and possible mitigation and corrections will be discussed. Assessment of the performance of a CT scanner is a complicated subject. Procedures to measure common image quality metrics such as high contrast spatial resolution, low contrast detectability, and slice profile will be described. The reason why these metrics used for FBP may not be sufficient for statistical iterative reconstruction will be explained. Optimizing radiation dose requires comprehension of CT dose metrics. This course will briefly describe various dose metrics, and interaction with acquisition parameters and patient habitus. CT is among the most frequently used imaging tools due to its superior image quality, easy to operate, and a broad range of applications. This course will present several interesting CT applications such as a mobile CT unit on an ambulance for stroke patients, low dose lung cancer screening, and single heartbeat cardiac CT. Learning Objectives: Understand the function and impact of major components of X-ray tube on the image quality. Understand the function and impact of major components of CT detector on the image quality. Be familiar with the basic procedure of CT image reconstruction. Understand the effect of image reconstruction on CT image quality and artifacts. Understand the root causes of common CT image artifacts. Be familiar with image quality metrics especially high and low contrast resolution, noise power spectrum, slice sensitivity profile, etc. Understand why basic image quality metrics used for FBP may not be sufficient to characterize the performance of advanced iterative reconstruction. Be familiar with various CT dose metrics and their interaction with acquisition parameters. New development in advanced CT clinical applications. JH: Employee of GE Healthcare. FD: No disclosure.; J. Hsieh, Jiang Hsieh is an employee of GE Healthcare.

60 APPLIED LIFE SCIENCES↗

Power over fiber development for HEP detectors

Power-over-Fiber (PoF) technology has been used extensively in settings where high voltages require isolation from ground and electromagnetic isolation is critical. In cryogenic environments, PoF offers a reliable power transmission technology, leveraging optical fibers to transfer power with minimal system degradation. PoF technology excels in maintaining low noise levels and isolation when delivering power to sensitive electronic systems operating in extreme temperature ranges and high voltage environments. Here, in a novel application of PoF for a HEP detector, power is provided to photon detector modules located on a surface at ~300 kV with respect to ground in the planned DUNE experiment. This summary paper of the PoF talk at the 16th PISA Meeting on Advanced Detectors highlights the R&D effort of PoF in extreme conditions and underscores its capacity to revolutionize power delivery and management in critical applications offering a dependable solution with low noise, optimal efficiency, and superior isolation. The DUNE (Abi et al., 2020) experiment will soon deploy large liquid argon (LAr) time projection chambers (TPC) to detect neutrino interactions and other particle physics phenomena. In addition to the particle tracking provided by the TPC, photon detectors, powered by a first ever PoF system, in the cryostat will leverage the high scintillation light yield of LAr to provide crucial timing and additional calorimetric information.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Low background screening capability in the UK

Low background rare event searches in underground laboratories seeking observation of direct dark matter interactions or neutrino-less double beta decay have the potential to profoundly advance our understanding of the physical universe. Successful results from these experiments depend critically on construction from extremely radiologically clean materials and accurate knowledge of subsequent low levels of expected background. The experiments must conduct comprehensive screening campaigns to reduce radioactivity from detector components, and these measurements also inform detailed characterisation and quantification of background sources and their impact, necessary to assign statistical significance to any potential discovery. To provide requisite sensitivity for material screening and characterisation in the UK to support our rare event search activities, we have re-developed our infrastructure to add ultra-low background capability across a range of complementary techniques that collectively allow complete radioactivity measurements. Ultra-low background HPGe and BEGe detectors have been installed at the Boulby Underground Laboratory, itself undergoing substantial facility re-furbishment, to provide high sensitivity gamma spectroscopy in particular for measuring the uranium and thorium decay series products. Dedicated low-activity mass spectrometry instrumentation has been developed at UCL for part per trillion level contaminant identification to complement underground screening with direct U and Th measurements, and meet throughput demands. Finally, radon emanation screening at UCL measures radon background inaccessible to gamma or mass spectrometry techniques. With this new capability the UK is delivering half of the radioactivity screening for the LZ dark matter search experiment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

High‐speed 4‐dimensional scanning transmission electron microscopy using compressive sensing techniques

Abstract Here we show that compressive sensing allows 4‐dimensional (4‐D) STEM data to be obtained and accurately reconstructed with both high‐speed and reduced electron fluence. The methodology needed to achieve these results compared to conventional 4‐D approaches requires only that a random subset of probe locations is acquired from the typical regular scanning grid, which immediately generates both higher speed and the lower fluence experimentally. We also consider downsampling of the detector, showing that oversampling is inherent within convergent beam electron diffraction (CBED) patterns and that detector downsampling does not reduce precision but allows faster experimental data acquisition. Analysis of an experimental atomic resolution yttrium silicide dataset shows that it is possible to recover over 25 dB peak signal‐to‐noise ratio in the recovered phase using 0.3% of the total data. Lay abstract : Four‐dimensional scanning transmission electron microscopy (4‐D STEM) is a powerful technique for characterizing complex nanoscale structures. In this method, a convergent beam electron diffraction pattern (CBED) is acquired at each probe location during the scan of the sample. This means that a 2‐dimensional signal is acquired at each 2‐D probe location, equating to a 4‐D dataset. Despite the recent development of fast direct electron detectors, some capable of 100kHz frame rates, the limiting factor for 4‐D STEM is acquisition times in the majority of cases, where cameras will typically operate on the order of 2kHz. This means that a raster scan containing 256^2 probe locations can take on the order of 30s, approximately 100‐1000 times longer than a conventional STEM imaging technique using monolithic radial detectors. As a result, 4‐D STEM acquisitions can be subject to adverse effects such as drift, beam damage, and sample contamination. Recent advances in computational imaging techniques for STEM have allowed for faster acquisition speeds by way of acquiring only a random subset of probe locations from the field of view. By doing this, the acquisition time is significantly reduced, in some cases by a factor of 10‐100 times. The acquired data is then processed to fill‐in or inpaint the missing data, taking advantage of the inherently low‐complex signals which can be linearly combined to recover the information. In this work, similar methods are demonstrated for the acquisition of 4‐D STEM data, where only a random subset of CBED patterns are acquired over the raster scan. We simulate the compressive sensing acquisition method for 4‐D STEM and present our findings for a variety of analysis techniques such as ptychography and differential phase contrast. Our results show that acquisition times can be significantly reduced on the order of 100‐300 times, therefore improving existing frame rates, as well as further reducing the electron fluence beyond just using a faster camera.

Robinson, Alex W.↗

Investigation of Coincidence Counting for Improving Minimal Detectable Activity of 110m Ag in Single Particle Gamma Analysis

Post-irradiation examination (PIE) of fuel particles from the fourth Advanced Gas Reactor Fuel Development and Qualification (AGR) Program irradiation (AGR-5/6/7) is being performed at Oak Ridge National Laboratory (ORNL). Tristructural isotropic (TRISO)-coated particles and associated compacts for the AGR-5/6/7 experiment fabricated by BWX Technologies Nuclear Operations Group were formed into a graphite matrix compact and irradiated at the Advanced Test Reactor at Idaho National Laboratory. At ORNL, particles are deconsolidated from the graphite matrix compact and individually scanned for emitted gamma rays with the Irradiated Microsphere Gamma Analyzer (IMGA). The IMGA system comprises a single high purity germanium (HPGe) detector, an automated particle handling vacuum system, and an ORTEC DSPEC-50 digital spectrometer for gamma ray analysis. IMGA quantifies gamma ray-emitting fission product inventories of individual TRISO particles, and these inventories can be compared with the measured average inventories per particle and radionuclide inventories predicted by AGR-5/6/7 physics calculations to determine if a particle experienced radionuclide release. Details on IMGA data collection methods can be found in the literature. The TRISO particle’s SiC layer provides structural support, as well as a barrier for fission product release during irradiation or subsequent safety testing. A weakened or compromised SiC layer can be identified by the release of radionuclides, such as 137 Cs, which is detected by IMGA. However, select radionuclides, such as 90 Sr, 110 mAg, and 154 Eu have been shown to migrate through an intact SiC layer. Measurement of the radionuclide 110 mAg is significant as its release has been shown to be particularly sensitive to in-reactor conditions (e.g., temperature) with broad variable particle to-particle release behaviors observed within a single compact. As such, 110 mAg activity is often used for particle selection for comprehensive PIE as bounding 110 mAg retention particles are hypothesized to represent limits in particle behaviors within a compact. As TRISO particle fuel PIE activities continue over time, IMGA measurements of the 110 mAg inventory are eventually hindered because of its relatively short half-life (~250 days). As the fuel ages from its end of irradiation (EOI) date, the measurement uncertainty and minimum detectable activity (MDA) of 110m Ag increase because the detector background continuum begins to dominate. For particles from the second AGR irradiation experiment (AGR-2), the 110m Ag MDA was above 20% of the calculated average particle inventory after approximately five half-lives, and 110m Ag activity was no longer measurable with IMGA after approximately seven half-lives. Therefore, coincidence counting approaches have been explored to determine feasibility of leveraging new approaches to overcome limitations associated with increasing MDA over time.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Quantum sensing for fundamental physics efforts at SQMS

One of the areas of research of the Superconducting Quantum Systems and Materials (SQMS) center is the application of quantum sensing to fundamental physics searches, demonstrating that quantum sensors can greatly improve the sensitivity of experiments searching for Beyond the Standard Model (BSM) physics, or performing high-precision measurements. Theorists have developed many ideas for BSM physics that would result in interactions that can in principle be detected, but with signals small enough that they haven t been observed yet. In this field, the capability to lower the detector s thermal noise to few or dozens of mK, and to use QIS technologies such as Josephson Parametric Amplifiers and photon counters (in-situ or itinerant) enable us to reach unprecedented sensitivities and faster scan rates. Here is presented an overview of the quantum sensing efforts at SQMS [1], focusing on theoretical advancements and experimental searches for Dark Sector particles (as dark matter candidates and not), gravitational waves, and precision measurements. The experiments conducted, or under preparation, include axion dark matter (DM) [2, 3], dark photon DM searches [4,5], light-shining-through-wall experiments [6], cavity-based searches for high frequency gravitational waves [7], and measurements of the electron magnetic moment [8]. [1] Berlin, A., et al. "Searches for new particles, dark matter, and gravitational waves with SRF cavities." arXiv preprint arXiv:2203.12714 (2022). [2] Giaccone, B., et al. "Design of axion and axion dark matter searches based on ultra high Q SRF cavities." arXiv preprint arXiv:2207.11346 (2022). [3] Braggio, C., et al. "Quantum-enhanced sensing of axion dark matter with a transmon-based single microwave photon counter." arXiv preprint arXiv:2403.02321 (2024). [4] Fan, X., et al. "One-electron quantum cyclotron as a milli-eV dark-photon detector." Physical review letters 129.26 (2022): 261801. [5] Cervantes, R., et al. "Deepest sensitivity to wavelike dark photon dark matter with superconducting radio frequency cavities." Physical Review D 110.4 (2024): 043022. [6] Romanenko, A., et al. "Search for dark photons with superconducting radio frequency cavities." Physical review letters 130.26 (2023): 261801. [7] Berlin, A., et al. "Electromagnetic cavities as mechanical bars for gravitational waves." Physical Review D 108.8 (2023): 084058. [8] Fan, X., et al. "Measurement of the electron magnetic moment." Physical review letters 130.7 (2023): 071801.

Giaccone, Bianca↗

New developments in micro-X-ray diffraction and X-ray absorption spectroscopy for high-pressure research at 16-BM-D at the Advanced Photon Source

We report the monochromator and focusing mirrors of the 16-BM-D beamline, which is dedicated to high-pressure research with micro-X-ray diffraction (micro-XRD) and X-ray absorption near edge structure (XANES) (6-45 keV) spectroscopy, have been recently upgraded. Monochromatic X-rays are selected by a Si (111) double-crystal monochromator operated in an artificial channel-cut mode and focused to 5 μm × 5 μm (FWHM) by table-top Kirkpatrick-Baez type mirrors located near the sample stage. The typical X-ray flux is ~5 × 10 8 photons/s at 30 keV. The instrumental resolution, Δq/q max , reaches to 2 × 10 –3 and is tunable through adjustments of the detector distance and X-ray energy. The setup is stable and reproducible, which allows versatile application to various types of experiments including resistive heating and cryogenic cooling as well as ambient temperature compression. Transmission XANES is readily combined with micro-XRD utilizing the fixed-exit feature of the monochromator, which allows combined XRD-XANES measurements at a given sample condition.

47 OTHER INSTRUMENTATION↗

Refining a Novel Process Monitoring Method to Safeguard Continuously Cycling Designs Using Isotopic Ratios

In advanced reactor (AR) designs, a common feature is continuous chemical processing and circulation of the nuclear material. This work bridges a significant measurement gap in safeguarding reactors with circulating fuel or continuous refueling by leveraging and building on the isotope ratio method first developed by our team under an FY21 Advanced Reactors International Safeguards Engagement (ARISE) project (Uribe et al. 2021). In circulating fuel designs, the radioisotope inventory changes from traditional effects (e.g., radioactive decay, fission) but also includes material transport due to pressure and temperature gradients. Such designs may also require regular or continuous additions or removals during operation, which significantly increases the rate of inventory change compared to traditional pressurized water reactor (PWR)s. Thus, directly tracking the nuclear inventory is ineffective since the isotopes are continuously added and removed. The isotope ratio method instead focuses on detecting changes to the input and output flows of radioisotopes. Previous work showed that for well-chosen pairs of isotopes, the isotopic ratio provides a sensitive and lasting indicator of deviation from normal conditions (e.g., startup, shutdown, diversion). The isotope ratio method is a process monitoring method with potential for application in for forward-looking approaches to International Atomic Energy Agency (IAEA) safeguards. The original process monitoring method was developed for a specific case—the decay tank of a thorium-fueled molten salt breeder reactor. In this expanded work, we explored other types of reactors and processes with nonstationary (e.g., flowing) nuclear material, which are difficult to safeguard with traditional methods because of the transient nature of the systems. The goal of the present work is to generalize the isotope ratio method for use in processes with continuously flowing nuclear material. All continuous processes have an average time for isotopes to be replaced in the system. The isotope ratio method works by choosing radioisotopes with half-lives both above and below the processing time. The present work seeks to explore which isotopes are suitable for the method by simulating the nuclear inventory, radioisotope emissions, and detector responses for several classes of advanced reactors. While the method can in principle be applied to other processes (e.g., enrichment or reprocessing facilities), the present work limits scope to ARs with continuously flowing fuel. Section 2 details the mathematics supporting the isotope ratio method, and Section 3 introduces the representative ARs selected for this work. Section 4 discusses how each reactor was analyzed, and Section 5 showcases the results for each representative reactor. Finally, Section 6 provides concluding remarks and suggests pathways for further analysis.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Quantitative imaging and automated fuel pin identification for passive gamma emission tomography

Compliance of member States to the Treaty on the Non-Proliferation of Nuclear Weapons is monitored through nuclear safeguards. The Passive Gamma Emission Tomography (PGET) system is a novel instrument developed within the framework of the International Atomic Energy Agency (IAEA) project JNT 1510, which included the European Commission, Finland, Hungary and Sweden. The PGET is used for the verification of spent nuclear fuel stored in water pools. Advanced image reconstruction techniques are crucial for obtaining high-quality cross-sectional images of the spent-fuel bundle to allow inspectors of the IAEA to monitor nuclear material and promptly identify its diversion. In this work, we have developed a software suite to accurately reconstruct the spent-fuel cross sectional image, automatically identify present fuel rods, and estimate their activity. Unique image reconstruction challenges are posed by the measurement of spent fuel, due to its high activity and the self-attenuation. While the former is mitigated by detector physical collimation, we implemented a linear forward model to model the detector responses to the fuel rods inside the PGET, to account for the latter. The image reconstruction is performed by solving a regularized linear inverse problem using the fast-iterative shrinkage-thresholding algorithm. We have also implemented the traditional filtered back projection (FBP) method based on the inverse Radon transform for comparison and applied both methods to reconstruct images of simulated mockup fuel assemblies. Higher image resolution and fewer reconstruction artifacts were obtained with the inverse-problem approach, with the mean-square-error reduced by 50%, and the structural-similarity improved by 200%. We then used a convolutional neural network (CNN) to automatically identify the bundle type and extract the pin locations from the images; the estimated activity levels finally being compared with the ground truth. The proposed computational methods accurately estimated the activity levels of the present pins, with an associated uncertainty of approximately 5%.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Closeout Report of BNL LDRD 23-050 A Second EIC Detector: Physics Case and Conceptual Design

This document is the closeout report for LDRD 23-050, a type-A LDRD project awarded in FY2022 under the title “ A Second EIC Detector: Physics Case and Conceptual Design ”. The project was motivated by the strong interest within the EIC community in a second general-purpose detector and interaction region, and by the recognition that such a detector is essential to fully exploit the scientific potential of the EIC over its multi-decade lifetime. The key goals of the LDRD were to (i) strengthen the case for a second EIC detector, building on the arguments already articulated in the community Yellow Report, (ii) provide a realistic detector concept that is complementary to the current project detector, ePIC, in terms of physics reach, precision, and control of systematics, and (iii) broaden the overall physics program of the EIC facility. Since a possible second detector is expected to be realized with a delay of several years relative to the first detector, the project explicitly aimed at identifying technologies that are not yet sufficiently mature for ePIC but could be deployed on the later timescale of a second detector, thereby providing genuine complementarity and room for innovation. LDRD 23-050 provided support for two postdoctoral researchers and partial support for several BNL staff members, and the effort ramped up in mid-2023. Work was carried out in close collaboration with colleagues from the EIC project, the Cold QCD and STAR groups at BNL, and with substantial input from members of the EIC User Group and the ePIC Collaboration as reflected in the author list. Over the period from October 2022 through September 2025, this team developed and refined a physics program tailored to a second detector, translated the resulting physics requirements into detector-level performance targets, and explored multiple conceptual detector layouts capable of meeting these targets within the constraints of the second interaction region. The expected outcome, as stated in the original proposal, was a document detailing the physics potential and requirements of a second EIC detector, accompanied by a comprehensive conceptual detector design and an outline of the remaining R&D needed to bring the relevant technologies to maturity. The present report summarizes the progress that has been achieved toward these goals. It consolidates the physics studies, detector concepts, and technology assessments developed under this LDRD and places them in the broader context of worldwide detector R&D. While the evolving priorities of the EIC project and the substantial community effort required to design and construct ePIC naturally limited the scope of EIC-wide activities toward a second detector during this period, the work documented here is intended to provide a foundation and a point of reference for future efforts. Whatever form a second EIC detector may ultimately take, we hope that this report will serve as a useful guide for colleagues who continue to advance this program in the near- and mid-term future.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Variable-angle high-angle annular dark-field imaging: application to three-dimensional dopant atom profiling

Variable-angle high-angle annular dark-field (HAADF) imaging in scanning transmission electron microscopy is developed for precise and accurate determination of three-dimensional (3D) dopant atom configurations. Gd-doped SrTiO3 films containing Sr columns containing zero, one, or two Gd dopant atoms are imaged in HAADF mode using two different collection angles. Variable-angle HAADF significantly increases both the precision and accuracy of 3D dopant profiling. Using image simulations, it is shown that the combined information from the two detectors reduces the uncertainty in the dopant depth position measurement and can uniquely identify certain atomic configurations that are indistinguishable with a single detector setting. Additional advances and applications are discussed.

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