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At least 19 records

A high-efficiency cryogenic neutron spin flipper for IMAGINE-X at the high flux isotope reactor

The Laue neutron macromolecular crystallography beamline, IMAGINE, at the High Flux Isotope Reactor (HFIR) is undergoing a major upgrade to incorporate the dynamic nuclear polarization (DNP) technique. Upon completion, the new IMAGINE-X instrument is expected to enhance the signal-to-noise ratio of the diffraction data by an order of magnitude. To take full advantage of the benefits of DNP, both a highly polarized neutron beam and a high-efficiency neutron spin flipper are required. We have developed a compact cryogenic spin flipper utilizing the Meissner effect in high-Tc yttrium–barium–copper–oxide superconducting films. The flipper has been successfully tested at two HFIR neutron development beamlines, Larmor and Poplar, with neutron wavelengths of 5.3 and 2.4 Å respectively. At Larmor, a flipping efficiency of 0.995 ± 0.004 was achieved for 5.3 Å neutrons, and at Poplar, efficiency of up to 0.9987 ± 0.0004 was obtained for 2.4 Å neutrons. Both tests demonstrated the flipper’s excellent performance and suitability for integration into IMAGINE-X.

Fu, Sichao [Oak Ridge National Laboratory (ORNL),

IMAGINE BioSecurity: Mesocosm-Based Methods to Evaluate Biocontainment Strategies and Impact of Industrial Microbes Upon Native Ecosystems

Project Goals: The Integrative Modeling and Genome-scale Engineering for Biosystems Security (IMAGINE BioSecurity) SFA project seeks to establish an understanding of the behavior of engineered microbes in controlled versus environmental conditions to predictively devise new strategies for responding to biological escape. To this end, the IMAGINE Team has established a plant-soil mesocosm platform to track and quantify the fate of industrial microbes in environmental systems and assess the efficacy of biocontainment constraints upon genetically engineered microbe escape frequency and the impact of industrial microbes upon native ecological microbiomes. Abstract Text: Genetically modified industrial production microbes and their associated bioproducts have emerged as an integral component of a sustainable bioeconomy. However, the rapid development of these innovative technologies raises biosecurity concerns, namely, the risk of environmental escape. Thus, the realization of a bioeconomy hinges not only on the development and deployment of microbial production hosts, but also on the development of secure biosystems and biocontainment designs. Current laboratory-based biocontainment testing systems do not accurately reflect complexities found in natural environments, necessitating an environmentally relevant analysis pipeline that allows for the detection of rare escapees, the effect of associated bio-products, and the impact on native ecologies. To this end, we have developed an approach that utilizes soil mesocosms and integrated systems analyses to evaluate the efficacy of novel biocontainment strategies and to assess the impact of production systems upon terrestrial microbiome dynamics. We demonstrate the utility of this approach by modeling a contamination with industrial microbial chasses versus their biocontained counterparts. Here we demonstrate the broad utility of this system by highlighting findings from both strains of Saccharomyces cerevisiae that are contained with an inducible toxin anti-toxin system, and stains of Escherichia coli that are contained via genomic recoding. The resultant data demonstrate that this system has broad utility across diverse microbial chassis and biocontainment strategies, enables us to track the fate of our contaminating microbe with high sensitivity in the soil, as well as monitor broader impacts of the perturbation on the underlying soil system. The findings presented here support the use of this mesocosm-based approach to assess the environmental impact of industrial microbes and to validate biocontainment strategies.

BASIC BIOLOGICAL SCIENCES,INORGANIC, ORGANIC, PHYS

Design and Optimization of the IMAGINE-X Diffractometer at NB1

An upgraded protein crystal diffractometer with Dynamic Nuclear Polarization (DNP) is proposed for installation during the next HFIR Beryllium Reflector Replacement. The diffractometer will replace the IMAGINE protein crystal diffraction instrument currently located at CG4D. The simulation design meets the needs as requested in the science requirements document.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS

The 200 Gbps Challenge: Imagining HL-LHC analysis facilities

The IRIS-HEP software institute, as a contributor to the broader HEP Python ecosystem, is developing scalable analysis infrastructure and software tools to address the upcoming HL-LHC computing challenges with new approaches and paradigms, driven by our vision of what HL-LHC analysis will require. The institute uses a "Grand Challenge" format, constructing a series of increasingly large, complex, and realistic exercises to show the vision of HL-LHC analysis. Recently, the focus has been demonstrating the IRIS-HEP analysis infrastructure at scale and evaluating technology readiness for production. As a part of the Analysis Grand Challenge activities, the institute executed a "200 Gbps Challenge", aiming to show sustained data rates into the event processing of multiple analysis pipelines. The challenge integrated teams internal and external to the institute, including operations and facilities, analysis software tools, innovative data delivery and management services, and scalable analysis infrastructure. The challenge showcases the prototypes - including software, services, and facilities - built to process around 200 TB of data in both the CMS NanoAOD and ATLAS PHYSLITE data formats with test pipelines. The teams were able to sustain the 200 Gbps target across multiple pipelines. The pipelines focusing on event rate were able to process at over 30 MHz. These target rates are demanding; the activity revealed considerations for future testing at this scale and changes necessary for physicists to work at this scale in the future. The 200 Gbps Challenge has established a baseline on today's facilities, setting the stage for the next exercise at twice the scale.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS

Future of condensed matter physics for the next 10 years

This perspective outlines a selection of research directions that members of the JPCM editorial board anticipate may shape the frontier of condensed matter physics over the next decade. Rather than a comprehensive review or formal roadmap, this perspective reflects a set of informed views drawn from diverse areas of expertise. Our intention is to spark curiosity, provoke discussion, and encourage readers to imagine—and pursue—the exciting possibilities that lie ahead.

chemical physics

Hydrogen density mapping in biomolecular crystals through dynamic nuclear polarization

Many fundamental biological processes, including those in photosynthetic reaction centers and enzyme active sites, involve charge and energy transfer, bond cleavage, protonation and hydrogen bonding. Because H atoms play such central roles in these reactions, accurately determining their positions is essential. Yet, conventional X-ray crystallography primarily resolves the heavy atoms in biological structures and provides limited insight into hydrogen, even at atomic resolution. Neutron macromolecular crystallography (NMC) overcomes this limitation by offering exceptional sensitivity to hydrogen and deuterium. Here, we present a theoretical framework for the development of dynamic nuclear polarization NMC (DNP-NMC) techniques, which exploit the alignment of neutron and proton nuclear spins to enhance and tune the hydrogen signal contribution. The DNP-NMC approach advances the resolution of H atoms within biomolecular crystals, whether bound to protein residues or present in solvent. The method establishes key relationships for the coherent structure factor of polarized neutron scattering from hydrogenous matter. It theoretically achieves full accuracy in phase reconstruction and offers a path to improve neutron structure determination, achieving accuracies exceeding ≳80% by incorporating titration states. Using a variant of the hybrid input/output phase-retrieval algorithm, it allows recovery of the hydrogen density with ≳90% phase accuracy. In conclusion, we further discuss sources of experimental uncertainty for the upcoming DNP-enabled, quasi-Laue IMAGINE-X experiment at Oak Ridge National Laboratory's High Flux Isotope Reactor.

dynamic nuclear polarization

FTTN: Feature-Targeted Testing for Numerical Properties of NVIDIA & AMD Matrix Accelerators

While NVIDIA has been the dominant provider of GPUs for HPC and ML, now AMD has several offerings of GPUs. This encourages programmers to try out AMD GPUs for new codes and also port existing codes over. Unfortunately, without understanding the floating-point differences between these GPU types, software development or porting can introduce bugs—and currently such an understanding is lacking. The magnitude of this open question becomes clear if one imagines the the number of floating-point precision choices (FP16, FP32, etc.), floating-point formats (standard floats, brain-float, etc.), and execution units available (elementary units, matrix/tensor cores, etc.) Questions such as rounding modes and subnormal support are also important. Most of these answers are unknown today or are hard to access. We provide the first testing-guided approach that answers a significant number of these questions. We also devise tests to reveal internal information (e.g., extra bits kept) to make sure that our findings are reliable. Many of our tests employ systematically generated random-programs, others apply fast-math flags and some involve fused multiplyadd. Especially for tensor/matrix cores, the tests have nontrivial logic that we present Our testing approach is reusable for the plethora of GPUs yet to be introduced. Our findings include up to 7 ulps of difference between NVIDIA and AMD for sin and cos at FP32 precision and 3 ulp at FP64. In our study of matrix cores (NVIDIA) and tensor cores (AMD), we have extensively characterized rounding modes (truncation versus round-to-nearest), the number of extra internal bits kept (whether 3 bits are kept or not), subnormal support for inputs and outputs across four different floating-point formats and across NVIDIA A100 and AMD MI250X GPUs. We believe that this wealth of data becoming available for the first time may help avoid significant porting bugs when migrating code across these platforms.

Li, Xinyi

The Worst Prediction in Physics?

By and large, contemporary physics theories do a pretty good job of describing the world around us. Sure, there is the occasional infinity when someone uses Coulomb’s law to calculate the force between two objects with zero separation, but that is just a case of a model being pushed into a realm in which it no longer applies. However, there are instances in which a prediction of a valid physical quantity is staggeringly wrong. In a case of cosmic irony, there is a mundane example which could well be the worst prediction in physics. This incredible disagreement occurs when the simplest imaginable calculation is performed: the energy of empty space.

Lincoln, Don [Fermilab]

Concepts for Neutrino Applications

Will neutrinos find uses outside basic science? It may be too early to say, but neutrino physicists have already imagined a variety of possibilities from the relatively modest to the more blue-sky. In this review, we survey the range of proposed applications, most involving nuclear reactors and other fission sources. We give special attention to the most recent proposals, including verifying submarine reactor integrity, safeguarding advanced nuclear power plants, and monitoring spent nuclear fuel. All of these concepts take advantage of the fact that neutrinos pass through barriers other signals cannot penetrate. That same fact creates the central challenge for neutrino applications: the size and complexity of detectors needed to collect a signal. Although the weakly interacting nature of neutrinos makes them fundamentally difficult to use, developments in detector technology are making some ideas more feasible.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS

An Agile/XP software development process for modernizing the accelerator control system at Fermilab

Fermilab is undergoing the most ambitious upgrade to its accelerator control system of the 21st century. As part of the ACORN project, hundreds of legacy control system applications written in C/C++ will be re-imagined and developed from the ground up. In addition, applications to support Fermilab’s new super-conducting linear accelerator are already under construction. To manage the development of modern controls applications, the Controls department has adopted an Agile software development process based on eXtreme Programming. In this paper we will describe our process and detail our experience applying it to the development of two case studies.

Diamond, John [Fermilab]

User Stories for PV Operations and Maintenance: Findings from the 2024 PVPMC Workshop

At the 2024 Photovoltaic (PV) Performance Modeling Workshop we collected user stories related to PV system monitoring, analytics, and operations and maintenance (O&M). In this context, user stories describe challenges with current practices and tools or imagining opportunities for improvements. From these user stories, we identified several near-term opportunities to improve photovoltaic system monitoring, analytics and O&M.

14 SOLAR ENERGY

AI-Enhanced Co-Design for Next-Generation Microelectronics: Innovating Innovation (Workshop Report)

The Artificial Intelligence Enhanced Co-Design for Next Generation Microelectronics virtual workshop was held April 4-5, 2023, and attended by subject matter experts from universities, industry, and national laboratories. This was the third in a series of workshops to motivate the research community to identify and address major challenges facing microelectronics research and production. The 2023 workshop focused on a set of topics from materials to computing algorithms, and included discussions on relevant federal legislation and such as the Creating Helpful Incentives to Produce Semiconductors and Science Act (CHIPS Act) which was signed into law in the summer of 2022. Talks at the workshop included edge computing in radiation environments, new materials for neuromorphic computing, advanced packaging for microelectronics, and new AI techniques. We also received project updates from several of the Department of Energy (DOE) microelectronics co-design projects funded in the fall of 2021, and from three of the Energy Frontier Research Centers (EFRCs) that had been funded in the fall of 2022. The workshop also conducted a set of breakout discussions around the five principal research directions (PRDs) from the 2018 Department of Energy workshop report: 1) define innovative material, device, and architecture requirements driven by applications, algorithms, and software; 2) revolutionize memory and data storage; 3) re-imagine information flow unconstrained by interconnects; 4) redefine computing by leveraging unexploited physical phenomena; 5) reinvent the electricity grid through new materials, devices, and architectures. We tasked each breakout group to consider one primary PRD (and other PRDs as relevant topics arose during discussions) and to address questions such as whether the research community has embraced co-design as a methodology and whether new developments at any level of innovation from materials to programming models requires the research community to reevaluate the PRDs developed back in 2018.

97 MATHEMATICS AND COMPUTING

Developing socially and economically generative, resilient PV-energy systems for low- and moderate-income communities: Applications for Puerto Rico (Final Technical Report)

The nexus of energy and poverty is one of the most significant long-term challenges facing the energy and electricity sectors, with negative feedback loops between energy-related costs, risks, and insecurities, on the one hand, and diverse other social and economic insecurities, on the other, helping to undermine health, wellbeing, and resilience in low- and moderate-income communities around the US and the world (Biswas et al. 2022). The transition of energy systems to clean energy alternatives offers a potential opportunity to redesign future energy arrangements in ways that, instead, create beneficial social value for communities, reverses the energy-poverty nexus, and enhances community wellbeing (Biswas et al. 2020; Miller et al. 2018). The promise of clean energy transitions to address the energy-poverty nexus is especially significant when designed using principles of just energy transitions. To leverage just clean energy transitions to accomplish a reversal of the energy-poverty nexus requires improvement in three capabilities: (1) Understanding and mapping the community-scale dynamics and variability of the energy-poverty nexus, which vary considerably from community to community; (2) Evaluating the technical, social, and economic potential for different clean energy system designs to deliver social value to specific communities; and (3) Working collaboratively with communities to imagine and design clean energy systems solutions that meet their needs, fit their capabilities and contexts, and deliver multiple forms of community-desired social value/benefits that help reverse key facets of the energy-poverty nexus. This project developed a portfolio of novel tools, methodological approaches, and collaborative partnerships with four communities in Puerto Rico that further the objective of building these three capabilities.

14 SOLAR ENERGY

The ORNL Moderator Test Station Science Case

Oak Ridge National Laboratory (ORNL) hosts two world-leading slow neutron sources, the Spallation Neutron Source (SNS) and the High Flux Isotope Reactor (HFIR), and is currently developing the technical design for a Second Target Station (STS) for the SNS. Upon completion of the STS project, ORNL will be uniquely positioned to optimize each of its three neutron sources, the SNS First Target Station (FTS), the STS, and HFIR, in a complementary way. Among the essential aspects of a re-imagined FTS and the current STS design are high-brightness parahydrogen moderators—moderators which are optimized for high per-unit-area neutron brightness rather than integrated-across-large-area neutron intensity. The high-brightness moderators proposed for the STS will, for the brightness metric, significantly outperform the coupled moderators currently on the FTS for appropriately optimized neutron beamlines, provided the moderating hydrogen is converted to near-equilibrium levels of parahydrogen (approximately 99.8% at 20 K). The original FTS moderators, by contrast, were conservatively designed to be relatively insensitive to the exact ortho:para ratio, with a consequent loss in performance. As a result, a redesign of the FTS moderators assuming fully converted parahydrogen could result in significant performance improvements on the FTS coupled moderators, and more consistent performance over time for all hydrogen moderators. This “parahydrogen problem” is a long-standing challenge for the effective implementation of hydrogen cold moderators at high-power neutron sources. In addition, the development of new moderator concepts, whether based on previously unused materials, structured heterogeneous arrays, or even simply on changes in overall shape and size is significantly restricted at a large-scale production facility intended to use the resulting neutron beams. Accordingly, moderators for production neutron sources are often designed in a very conservative, low-risk fashion, even though this compromises the absolute neutronic performance. Advanced moderator concepts worthy of study include features that could not be tested without redesigning and redeploying the entire existing reflector, shielding, and neutron beamline installation, making such development efforts far more expensive than building a stand-alone test facility.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS

Exploring Geologic Hydrogen: A New Frontier for Affordable, Reliable Energy Security

Recent successes in the exploration, drilling, and discovery of geologic hydrogen have generated notable excitement. This new energy resource has the potential to make an important contribution to our nation’s energy supply, resiliency, and security. Contemporary studies of geologic hydrogen have a common theme of suggesting places where it might be found or even more specifically, what rocks in what geologic formations may contribute to its formation — either naturally or via artificially induced means. This vital ongoing body of work sets the stage for imagining what may be possible with vast available quantities of naturally occurring hydrogen in the subsurface. While acknowledging current approaches to characterizing geologic hydrogen, this report advances the discussion by suggesting next steps, including the critical science and engineering necessary to make geologic hydrogen an affordable and reliable part of the U.S. energy portfolio.

08 HYDROGEN

Path Length Matching and Phase control for Coherently Combined Fiber Laser Arrays (1DPATH)

Coherently combined fiber lasers are literally the future of all lasers. Through coherent combining the high efficiency, ruggedness, and low cost of fiber lasers can be synthesized into any laser imaginable. Lasers of any wavelength, pulse characteristics, energy, average power, or beam output shape can be created through the coherent combination of a low cost base fiber laser. We now have the opportunity to move from traditional “Analog” lasers with their bulk optics, big optical benches, strict cleanliness requirements and high cost and fragility towards “Digital Lasers” where the output beams are shaped to provide characteristics like Orbital Angular Momentum to not only specify the traditional laser characteristics but also the output beam patterns as well. This will enable future applications such as Wakefield Accelerators, petawatt lasers, particle beam control, as well as Inertial Confinement Fusion Drivers and a host of other medical, scientific, and industrial uses.

42 ENGINEERING

Mu2e: Probing the Frontiers of Physics Using Muons

The absence of any signature for new physics beyond the standard model at the Large Hadron Collider has left the field of elementary particle physics in a quandary. We know there is new physics out there: where best to look for it? Searches for certain rare processes provide ultrasensitive probes for new physics and can reach mass scales unobtainable by any conceivable accelerator, present or imagined. We describe such an experiment, Mu2e, that intends to use a novel technique to search for new physics through lepton flavor violation in muon decays with a sensitivity of a factor of 10,000 over existing limits.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS

DICOMs, Missiles, and Metadata: The U.S. Nuclear Weapons Program Leverages a Medical Standard

Digital Imagine and Communications in Medicine (DICOM) images, although most commonly used in medical settings, have been widely adopted by the United States Department of Energy (DOE) for capturing images of the internal components in a nuclear weapon. DICOMs, a lesser-known file format that combine nested metadata structures with complex image data-including multiple planes, frames, and high resolution-require the creation of access copies to support usability within the DOE. Used primarily for ensuring the safety, security, and reliability of the U.S. nuclear stockpile, the Los Alamos National Laboratory (LANL)’s DICOM images and corresponding image metadata must be accessible to scientists and researchers via our institutional centralized databases. This paper describes the author's creation of a Python script that converts DICOM images into accessible, archive-friendly TIFF files while preserving key image data and metadata.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION