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Comment on the paper “Physical characterization of Bis(2,2-dinitropropyl) acetal and Bis(2,2-dinitropropyl) formal” by Alexander Edgar, Justine Yang, Manuel Chavez, Michelle Yang & Dali Yang

Errors are noted in the construction of the binary phase diagram in the paper “Physical characterization of Bis(2,2-dinitropropyl) acetal and Bis(2,2-dinitropropyl) formal” by Alexander Edgar, Justine Yang, Manuel Chavez, Michelle Yang & Dali Yang. The authors of that paper misinterpret differential scanning calorimetry (DSC) thermal features. All of the DSC data show features consistent with samples that are supercooled during testing. Such samples do not show solidus points and may not show liquidus points, rendering the constructed phase diagram invalid.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multiphysics modeling of accelerators through code integration

This work aims to improve the ability of particle accelerator researchers to develop high-performance accelerator cavity designs by creating an overall multiphysics framework that integrates and couples existing application codes. This framework will allow accelerator researchers to build multiphysics models that will optimize cavity design, improve understanding of whole-device performance, and reduce the development and fabrication costs of accelerator research. We utilize the open-source VizSchema data standard as an intermediate data structure interface layer to standardize interfaces between individual application codes. VizScema is extensively documented online, and plugins for VizSchema are available for popular visualization packages, including VisIt and ParaView. Currently, the work focuses on coupling the EM field solver COMSOL and the electron gun code MICHELLE to allow COMSOL field-solve results to be seamlessly used by MICHELLE for particle-solve. Later work will extend this integration to include other fields, particles, and thermodynamics simulation codes.

43 PARTICLE ACCELERATORS↗

Beam Dynamics simulations for ERDC project -- SRF linac for industrial use

Compact conductively cooled SRF industrial linacs can provide unique parameters of the electron beam for industrial applications. (up to 10MeV, 1MW). For ERDC project we designed normal conducting RF injector with thermal RF gridded gun integrated in first cell of multi-cell cavities. For design of the RF gun we used MICHELLE software to simulate and optimize parameters of the beam. Output file was converted to ASTRA format and most beam dynamic simulations in multi-cell normal conducting cavity and cryomodule were performed by using ASTRA software. For cross-checking we compare results of MICHELLE and AS-TRA in first few cells. At the end of injector beam reach ~250keV energy which allow to trap bunch in acceleration regime without losses in TESLA like 1.3 GHz cavity. Short solenoid at the end of injector allow to regulate transverse beam size in cryomodule to match beam to extraction system and also reduce charge losses in accelerator.

43 PARTICLE ACCELERATORS↗

Delayed photo-emission model for beam optics codes

Future advanced light sources and x-ray free electron lasers require fast response from the photocathode to enable short electron pulse durations as well as pulse shaping, and so the ability to model delays in emission is needed for beam optics codes. The development of a time-dependent emission model accounting for delayed photoemission due to transport and scattering is given, and its inclusion in the particle-in-cell code MICHELLE results in changes to the pulse shape that are described. The model is applied to pulse elongation of a bunch traversing an rf injector, and to the smoothing of laser jitter on a short pulse.

47 OTHER INSTRUMENTATION↗

Portable MRI developed at Los Alamos

Scientists at Los Alamos National Laboratory are developing an ultra-low-field Magnetic Resonance Imaging (MRI) system that could be low-power and lightweight enough for forward deployment on the battlefield and to field hospitals in the World's poorest regions. "MRI technology is a powerful medical diagnostic tool," said Michelle Espy, the Battlefield MRI (bMRI) project leader, "ideally suited for imaging soft-tissue injury, particularly to the brain." But hospital-based MRI devices are big and expensive, and require considerable infrastructure, such as large quantities of cryogens like liquid nitrogen and helium, and they typically use a large amount of energy. "Standard MRI machines just can't go everywhere," said Espy. "Soldiers wounded in battle usually have to be flown to a large hospital and people in emerging nations just don't have access to MRI at all. We've been in contact with doctors who routinely work in the Third World and report that MRI would be extremely valuable in treating pediatric encephalopathy, and other serious diseases in children." So the Los Alamos team started thinking about a way to make an MRI device that could be relatively easy to transport, set up, and use in an unconventional setting. Conventional MRI machines use very large magnetic fields that align the protons in water molecules to then create magnetic resonance signals, which are detected by the machine and turned into images. The large magnetic fields create exceptionally detailed images, but they are difficult and expensive to make. Espy and her team wanted to see if images of sufficient quality could be made with ultra-low-magnetic fields, similar in strength to the Earth's magnetic field. To achieve images at such low fields they use exquisitely sensitive detectors called Superconducting Quantum Interference Devices, or SQUIDs. SQUIDs are among the most sensitive magnetic field detectors available, so interference with the signal is the primary stumbling block. "SQUIDs are so sensitive they'll respond to a truck driving by outside or a radio signal 50 miles away," said Al Urbaitis, a bMRI engineer. The team's first generation bMRI had to be built in a large metal housing in order to shield it from interference. Now the Los Alamos team is working in the open environment without the large metal housing using a lightweight series of wire coils that surround the bMRI system to compensate the Earth’s magnetic field. In the future, the field compensation system will also function similar to noise-cancelling headphones to eradicate invading magnetic field signals on-the-fly.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Education Highlights: Plant Health

Argonne intern Michelle Michaels from Oakland Community College worked with Argonne mentor David Cook in studying trends in plant health. This research will help farmers determine crop yield during the growing season.

54 ENVIRONMENTAL SCIENCES↗

Panel Session 35: Panel: Graduating Students and New Scientists and Engineers - Wants and Needs - Are Companies Even Listening?

This panel focuses on new hires, graduating scientists and engineers having open lines of communication with employers. Considering the projected shortfalls in the workforce, effective communication of wants and needs of both the employer and employee must exist. Do these needs differ between industries and/or generations? Currently, it seems that both sides must work harder to achieve this level of communication. With this new approach, both sides can express their wants and needs for a more satisfied workforce and a better work environment. Presentations proposed include: 1 - Graduating Students and New Engineers - Wants and Needs - Are 'National Labs' Even Listening? (Michelle Bingham, Idaho National Laboratory (USA)); 2 - Graduating Students and New Engineers - Wants and Needs - Are Companies Even Listening? (Alexander Pappas, Washington River Protection Solutions (USA)); 3 - Graduating Students and New Engineers - Wants and Needs - Are the Government Agencies Even Listening? (Lisa Phillips, US DOE (USA)); 4 - Graduating Students and New Engineers - Wants and Needs - Are Companies Even Listening? (Silvina Di Pietro, Applied Research Center - FIU (USA), Ximena Lugo, Applied Research Center - FIU (USA))

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Panel Session 116: Waste Management from Remediation of Legacy Sites or Unplanned Releases

Past experiences have shown that there is often a disconnect between Indigenous societies and Western society. This disconnect can be attributed to different value systems between these two group and is not limited to the USA and Canada but also extends into Australia, New Zealand, and the Central Asia Republics (the 'five Stans'). The intent of this Panel Session to give voice to representatives from Indigenous communities, the challenges presented in remediation processes, and potential solutions. Standard risk assessment assumptions developed for Western societies often do not adequately address the cultural and spiritual values that may be unique to indigenous societies. This panel focused on the perspectives of Indigenous societies (e.g., Indian Tribes (US), First Nations (Canada)) related to risk assessment of environmental remediation challenges, including deep geological disposal of HLW and ILW, near-surface disposal of LLW and in-situ entombment of nuclear reactor components, and environmental remediation of abandoned uranium mines and historic wastes. Standard risk assessment assumptions often do not adequately address the cultural and spiritual values that may be unique to indigenous societies. Factoring those into a risk assessment that still meets regulatory requirements and policies such as reasonably anticipated land use at US EPA CERCLA sites can be challenging but has the potential to lead to a site or facility approach that is more accepted. Panelists with presentations: The U.S. Nuclear Regulatory Commission Regulatory Process - A Path for Indigenous Knowledge? (Francis Cameron); Local Community Perceptions and Remediation Projects (Michelle Roberts); Indigenous Perspectives on Risk Assessment (Bob Watts); Navajo Superfund Program: Fundamental Law and Traditional Ecological Knowledge (Dariel Yazzie); Risk Assessment: Two Indigenous Approaches (Whitney Fraser)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Panel Session 132: Risk-Informed Approach for Decision Making in WM, D and D and SNF Management: Reasonable Assurance for Safety

Mr. Larry Camper organized a panel of experts to discuss approaches to better make risk-informed decisions in waste management, decommissioning, and the management of Spent Nuclear Fuel (SNF). The audience heard the perspectives from four panelists that addressed issues ranging from the technical basis used to make risk-informed decisions to for developing cleanup criteria and promulgating regulations and safety standards both domestically and abroad. A summary of each of the presentations given by the panelists is provided herein. This WMS BOD featured panel focused on the Risk-Informed Approach for Decision Making in WM, D and D and SNF Management and the Reasonable Assurance for Safety. The panelists addressed and discussed with the audience different approaches used for decision-making, summarizing ongoing probabilistic vs. deterministic approaches, including IAEA graded approach, and discussed policies/approaches to achieve reasonable assurance for safety rather than using absolute assurance. Panelists with presentations: Risk-Informed Decision Making - More than a Motto? (Paul Black); NRC Staff Perspective on Risk-Informed Approach and Reasonable Safety Assurance in D and D and LLW (Rateb (Boby) Abu Eid); Risk-Informed Decision-Making and Illustrative National Academies Studies (Charles Ferguson); IAEA's Revised Safety Guidance on Remediation (Michelle Roberts); NDA Radioactive Waste Strategy - A Risk Informed Approach (James McKinney)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Modeling emission lag after photoexcitation

A theoretical model of delayed emission following photoexcitation from metals and semiconductors is given. Its numerical implementation is designed for beam optics codes used to model photocathodes in rf photoinjectors. The model extends the Moments approach for predicting photocurrent and mean transverse energy as moments of an emitted electron distribution by incorporating time of flight and scattering events that result in emission delay on a sub-picosecond level. The model accounts for a dynamic surface extraction field and changes in the energy distribution and time of emission as a consequence of the laser penetration depth and multiple scattering events during transport. Usage in the Particle-in-Cell code MICHELLE to predict the bunch shape and duration with or without laser jitter is given. The consequences of delayed emission effects for ultra-short pulses are discussed.

36 MATERIALS SCIENCE↗

MO-FG-213-04: Managing the Relationship

Academic-industrial collaborations are playing an increasingly prominent role in medical physics research. Successful partnerships have enabled truly translational, benchtop-to-bedside research that has significantly and positively impacted our field. Given the current flat or depleting trends in federal funding, and the increasing emphasis in the medical physics community on demonstrating translatability, efficacy, and safety prior to widespread clinical use, it is anticipated that such partnerships will become ever more important in advancing our field. In the future, it is likely that neither academia alone, nor industry alone, will be able to bring significant innovation to successfully impact patient care in radiotherapy. Such innovation will require partnership and symbiosis through the lifetime of the project. This symposium is aimed at professionals from academia and the industry who are interested in either initiating new collaborations or maintaining and improving existing partnerships. We will hear from four thought leaders from industry and academia on critical aspects of building and maintaining successful academic-industrial research partnerships. The following topics will be addressed: 1. Motivations: The industry perspective [Kevin Brown, Elekta] What goes into the development of a company’s R&D roadmap What are the motivations and expectations of the industry from academic partners How can academics make a successful pitch by identifying projects aligned with a company’s roadmap Why are some relationships successful and some not Milestones and progress reports - Why do we need them 2. Motivations: The academic perspective [T. Rock Mackie, Univ. of Madison, WI; Tomotherapy] What are the motivations and expectations of academic partners from the industry What are the cultural differences in academia vs industry on sharing information, exchanging ideas Partnership or entrepreneurship? When does each option make sense 3. Industrial Grants and Research Contracts – a Primer [Norbert Pelc; Stanford University] What topics are suited to industrial grants vs. academic grants How do resources (personnel effort, tuition) get allocated and charged in academia What are reasonable resource and timeline requests for small and big projects; from small and big companies “Fair market value” considerations Sections of a research agreement (IP including software confidential information, publications, data, exclusivity, support) 4. Managing the relationship [John Wong, Johns Hopkins University] How to effectively collaborate with each other How to adapt to changes in the relationship How to renew funding with the industry Moderated Panel Discussion [All speakers + moderators] Learning Objectives: 1. Understand the motivations of each partner 2. Elements that contribute to a successful partnership 3. Avoiding pitfalls - Challenges on either side that may derail a project 4. How to frame a research grant and agreement 5. How to sustain the collaborative relationship Amit Sawant: Funding from: NIH. Varian, Elekta and VisionRT; Michelle Svatos: Employee and shareholder: Varian, Board Member, TopasMC; Kevin Brown: Employee, Elekta; T. Rock Mackie: Consultant, Accuray; Norbert Pelc: Research support: Philips Healthcare, GE Healthcare; John Wong: Funding from NIH, Xstrahl and Elekta. Co-founder and advisor for JPLC Associates, LLC.

07 ISOTOPE AND RADIATION SOURCES↗

Catalyst-Vision (PEM Catalyst Layer Image Analysis Tool) [SWR-25-100]

Catalyst-Vision (PEM Catalyst Layer Image Analysis Tool) provides an advanced Python-based tool, primarily designed for use in a Jupyter/Colab notebook, for the quantitative morphological analysis of pre-segmented shapes. While developed for analyzing PEM catalyst layers from microscopy, its methodology is suitable for characterizing any grayscale object provided on a uniform white background. The tool uses a robust computer vision pipeline based on the Euclidean Distance Transform and skeletonization to accurately measure local thickness and tortuosity, providing a comprehensive characterization of an object's geometry and internal texture. If you find this code useful, please cite our preprint as: Chan, Ai-Lin and Hayden, Steven and Harvey, Steven P. and Smeaton, Michelle and Okrucky, Caleb and Watt, John and Ulična, Soňa and Spurgeon, Steven and Jungjohann, Katherine and Alia, Shaun, Mechanism-informed breakdown: understanding degradation by controlling voltage hold patterns in PEM water electrolyzers. Preprint (2025).

Spurgeon, Steven [National Laboratory of the Rocki↗

DOE Packaging Certification Program Engineering Class Demonstration Tests

On Thursday August 11, 2022, a series of explosive demonstration tests were conducted at the Sandia National Laboratories 9920 Test Complex for the 2022 DOE Packaging Certification Program Explosives Engineering class. Class participants included both SNL engineering student interns as well as SNL and LANL staff members. The test series was designed by the class instructor, W. Gary Rivera Org. 6626, and 9920 site test engineer, Marissa Martinez Org. 6648, with help from Michelle Chatter Org 6514 and Luke Gilbert Org 6815.

36 MATERIALS SCIENCE↗

The Role of Quantum Science Concepts in Enhancing Sensing and Imaging Technologies: Applications for Biology: Proceedings of a Workshop

Quantum concepts hold the potential to enable significant advances in sensing and imaging technologies that could be vital to the study of biological systems. The workshop Quantum Science Concepts in Enhancing Sensing and Imaging Technologies: Applications for Biology, held online March 8–10, 2021, was organized to examine the research and development needs to advance biological applications of quantum technology. Hosted by the National Academies of Sciences, Engineering, and Medicine, the event brought together experts working on state-of-the-art, quantum-enabled technologies and scientists who are interested in applying these technologies to biological systems. Through talks, panels, and discussions, the workshop facilitated a better understanding of the current and future biological applications of quantum-enabled technologies in fields such as microbiology, molecular biology, cell biology, plant science, mycology, and many others. The workshop was organized around three main themes. The first, quantum in biology, examined quantum concepts that are hypothesized to be important for life processes and that researchers are working to observe through biological imaging and sensing. The second, quantum for biology, addressed ways to use quantum concepts to enhance technologies for biological imaging and sensing. The third, biology for quantum, offered a wider discussion of how the frontiers of biological imaging and sensing could enable future study using quantum concepts, tools, or technologies. Throughout the workshop, participants identified a wide range of emerging approaches and opportunities at the intersection of quantum physics and biological sensing and imaging. During the workshop, there were some differences in how each speaker defined the term quantum. During one of the panels, Prem Kumar offered thoughts on what phenomena are classical versus quantum, explaining that techniques get progressively more quantum as you move from just having superposition to having superposition with measurement and entanglement. Another explanation from Clarice Aiello delineates the definition into several levels. This includes a base level of “quantum-ness,” which reflects that all matter is made of atoms, and when these particles are isolated they behave based on quantum mechanical principles. A second level is related to quantum coherence, where a single quantum object might be found in a coherent superposition state. A final level, which she described as the quantum-entangled level, involves multiple quantum systems which are entangled among themselves. Overall, the workshop touched on concepts such as superposition, entanglement, and squeezing and their potential implications for communication, computing, and simulation, in addition to the workshop’s main focal area, biological sensing and imaging. At the opening of the workshop, Thorsten Ritz of the University of California, Irvine, identified two questions at the heart of quantum biology: Is the machinery of life quantum mechanical, and can quantum mechanics be used to study the machinery of life in new ways? Participants highlighted systems in which researchers have explored these questions, from the vast array of molecular interactions involved in biological processes such as photosynthesis, to the mechanics involved in cellular functions such as differentiation and aggregation, to the role of oscillating magnetic fields in flight orientation among birds. Sensing and imaging technologies are crucial to biological research; these technologies could both enhance the study of quantum effects and be enhanced by quantum concepts. A critical challenge in biological research is to develop imaging and sensing tools that do not damage or interfere with the often fragile and fleeting systems being studied. Attendees discussed a variety of established and emerging technologies that could enhance noninvasive biological imaging, including single- and two-photon spectroscopy, single-molecule spectroscopy, quantum illumination, ghost imaging, and cryo-electron microscopy. One example came from Marlan Scully who gave a keynote address on the first day of the workshop. Scully emphasized the use of different laser technologies, which exhibit coherence and other quantum properties, in moving toward real-world biological applications, such as the detection of SARS-CoV-2. Both tools and theory will play an important role in advancing quantum biology research and applications. Several participants suggested theorists and experimentalists should work in tandem to understand and model biological processes. While physics often reduces systems to their simplest forms for fundamental insights, participants also noted the value of observing and understanding biological systems in all their “messiness,” capturing both the inner workings of biological systems and the complex interactions that occur within and between organisms. In discussions among participants, several attendees stressed the need to match emerging tools with the right scientific questions. Rather than developing quantum technologies as “a hammer looking for a nail,” participants emphasized a focus on exploring the problems these technologies are best suited to address. For example, it is important to consider the size of the phenomenon being studied, the timescales that are important in answering the scientific question, and other relevant considerations. Every tool along the spectrum from classical to quantum involves its own set of trade-offs. For example, Ted Laurence of the Lawrence Livermore National Laboratory said that quantum measurements, such as single photon counting, fluorescence transitions, and lasers, can take longer to produce the same results as classical measurements. These quantum measurements, however, do not require calibration and can enable new research questions to be answered. Prem Kumar, Northwestern University, noted that, despite their promise, quantum approaches should not be used simply for the sake of using quantum, especially in situations where classical approaches better meet the needs of the researcher. Understanding and applying quantum concepts could enable advances in a wide range of application areas including energy, synthetic biology, medicine, and sustainability. For example, Michelle O’Malley, University of California, Santa Barbara, described how improved noninvasive imaging approaches could help capture the complex interactions and functions involved in the breakdown of organic matter by microbial communities and lead to new technologies for capturing valuable products from plant waste. Several other participants discussed needs in tracking the movement of metabolites and molecules in microbial communities for insights into nutrient cycling in environments such as soil. Margaret Ahmad, Sorbonne University, discussed potential opportunities to leverage the magnetic properties of cryptochromes to advance new treatment approaches for diseases such as COVID-19 and cancer. Looking toward the future development of the field, participants discussed challenges to advancing quantum biology that arise from disciplinary disconnects between physicists and biologists. The siloing of academic research disciplines represents a significant barrier to progress. Disconnects in terminology, motivations and priorities, and structural barriers to collaborative work underscore the need for concerted efforts to bridge these divides. Attendees and speakers offered suggestions for resolving these divergences, establishing a shared language, moving the field forward, and fostering meaningful feedback between disciplines. Overall, participants stressed a need for balance, open communication, collaboration, unity, and clear dialogue on trade-offs between quantum and classical approaches. Keiko Torii, The University of Texas at Austin, said that the best collaborations happen when the project provides mutual advantages that can show off everyone’s talents, each team finds the work interesting, and partners develop a camaraderie to pursue new knowledge. To enable near- and long-term opportunities in this space, participants suggested that exploratory, high-risk funding could improve existing instrumentation to explore quantum enhancement collaboratively. They also emphasized the need for collaboration between quantum physicists and sensing/imaging scientists, which could be advanced through a dedicated quantum biology investigator program. People, even more than technology, will be crucial to the future of quantum biology. Participants explored training, education, and workforce needs to further develop this burgeoning field and cultivate the next generation of scientists. While many programs are still in their nascent stages, participants highlighted examples of approaches and programs being developed at various types of institutions to engage students and professional scientists in quantum biology research. Several participants stressed the need for an inclusive approach, spanning disciplines as well as communities to foster a diverse field fueled by the intellectual contributions of a wide range of people, including historically under-resourced schools and students. To increase awareness and excitement about quantum physics and related areas of biology, attendees suggested capitalizing on the “buzz” around quantum. Several participants emphasized the need to start early, introducing students to quantum concepts and their appealing “weirdness” in K–12 education. Engaging students early—before they become entrenched in traditional disciplinary siloes as typically happens in graduate school—could help to galvanize interest in the area and foster a generation of scientists with the interdisciplinary mindset and skills needed to advance this interdisciplinary field. While these efforts could be advanced at many levels and across multiple sectors, several participants suggested a national quantum biology center could be a valuable hub to coordinate and support quantum biology education and workforce development across academia, industry, and government.

59 BASIC BIOLOGICAL SCIENCES↗