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DOE OSTI2023

Utah FORGE 3-2417: Fiber-Optic Geophysical Monitoring of Reservoir Evolution - Workshop Presentation

This is a presentation on the Fiber-Optic Geophysical Monitoring of Reservoir Evolution at the Utah FORGE Milford Site project by Rice University, presented by Prof. Jonathan Ajo-Franklin. The project's objective was to develop an end-to-end fiber-optic sensing approach for EGS to track the initial zone of fracture creation, zones of connected mechanically compliant fractures, and zones of flowing fractures linking the injection/production well pair. This approach would also be used to integrate data into an improved thermo-hydro-mechanical model (THM). This presentation was featured in the Utah FORGE R&D Annual Workshop on September 8, 2023. The workshop provided a valuable opportunity to explore the progress made in each of the 17 Research and Development projects funded under Solicitation 2020-1 which aim to enhance our understanding of the crucial factors influencing the development of Enhanced Geothermal Systems (EGS) reservoirs and resources.

15 GEOTHERMAL ENERGY↗

DOE OSTI2020

The future of the NPT: REVCON and beyond

The Treaty on the Nonproliferation of Nuclear Weapons (NPT), with its quinquennial review conferences (RevCons), has become the foundation of the international nonproliferation regime over the course of its 50-year history. With more states parties than any other arms control agreement (currently 191), the Treaty provides a legally binding framework for all states parties, constraining proliferation of nuclear weapons and committing the five recognized states who possess nuclear weapons to work toward disarmament. The NPT has enjoyed wide success in constraining the spread of nuclear weapons. Only one state party has left the agreement and gone on to acquire these weapons, and the overall track record of compliance with IAEA safeguards has been robust. However, for all its effectiveness in the area of nonproliferation, its achievements on the disarmament front have been relatively unimpressive. While the NWS – most notably the United States and the Soviet Union/Russia – have decreased the overall size of their nuclear arsenals significantly since 1970, these arsenals have remained an important feature of NWS security policies. The limited progress towards disarmament has created friction between the NNWS and NWS and has been the source of mounting tension within the NPT regime. The 2020 RevCon, the 50th anniversary of the NPT and 25th anniversary of its indefinite extension, faces a range of contentious challenges, old and new, which call into question the Treaty’s future viability.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2022

Long Term Damage Testing (NREL)

DOE's Regional Test Center program has fielded several strings of PV modules as part of their Long Term Testing program. Some of these modules have been installed since 2016 and have been exposed to severe weather events. A key to developing long lifespans for PV modules (in excess of 30 years) is understanding how damage and defects develop, propagate and progress. Researchers at the NREL Regional Test Center have started developing testing procedures and analysis tools in order to characterize modules in a controlled manner with the goal of understanding how damage spreads under normal operations. Characterization methods include EL and IR imaging, outdoor and indoor IV curves, and long term exposure monitoring. Modules to be evaluated will be chosen based on severity of defect, ability to track changes in defect and space requirements. The samples will be loaded at maximum power using grid-tied inverters or other means. Gathering and reporting on this data may help engineers and scientists design for damage and improve long-term performance.

crack damage↗

DOE OSTI2025

TRACKING LIGNOCELLULOSIC BREAKDOWN BY ANAEROBIC FUNGI AND FUNGAL CELLULOSOMES

Anaerobic fungi degrade plant biomass through invasive, filamentous growth, and the secretion of multi-protein biomass-degrading complexes called fungal cellulosomes. This project developed new tools for anaerobic, non-destructive, real-time imaging of cellulosomes across spatial and temporal scales. Novel nanobody tools were synthesized and deployed to image native fungal cellulosomes. Antibodies raised against key fungal cellulosome components were also used to define the localization patterns of cellulosomes in mature fungal mats vs. fungal zoospores, and revealed direct connections between cellular life stage progression and the regulation of cellulosome production. New procedures were developed to purify native cellulosomes and study their morphology and sub-structures, and genetic engineering tools were also developed and applied to anaerobic fungi to advance in vivo labeling capabilities. A cryoEM structure of a native fungal cellulosome was achieved, as well as a proof of concept for transformation of fungi with flavin-based anaerobic reporter proteins for in vivo labeling of cellulosome components.

09 BIOMASS FUELS↗

DOE OSTI2026

A U.S. scientific community review of carbon cycle science gaps and opportunities to better support earth system science and carbon management

Greenhouse gas (GHG) emissions continue to grow, while natural carbon reservoirs are becoming increasingly vulnerable to anthropogenic pressures, climate extremes, and disturbance. These changes are impacting humans, ecosystems, and natural resources worldwide. Tracking and mitigating GHG emissions require a pivot to operational monitoring of regional carbon flux and stock changes. The current GHG observing system is addressing needs at two distinct scales: 1) Local scale (< 1 km), related to anthropogenic point source emissions, and 2) global scales (> 1000 km), related to land and ocean carbon sinks. More focus on intermediate (10–1000 km) scales is needed to more effectively monitor progress in reducing carbon emissions, enhancing removals, and maintaining sinks. Representatives from carbon cycle biomass and flux communities across United States government agencies and academic institutions met in September 2024 to discuss the rationale and scientific context for more effectively implementing an operational system for GHG monitoring in support of urban and national carbon management needs. To guide development of this system, we propose a multi-tiered global spaceborne observing framework for carbon flux and stock, prioritizing: 1) frequent GHG partial columns for carbon emissions and removals; 2) continuous time series and data fusion of biomass from Lidar and Synthetic Aperture Radar (SAR) for carbon stocks, and 3) expanded coverage of tropical, high latitude, and oceanic regions to monitor carbon cycle tipping points and feedbacks. This system should be complemented by expanded surface and airborne networks for oceanic and terrestrial/aquatic ecosystems for calibration, ground truthing, and study of under-sampled regions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

Muon Beam Tracking and Spin-Orbit Correlations for Precision g-2 Measurements

The main goal of the Muon g-2 Experiment (g-2) at Fermilab is to measure the muon anomalous magnetic moment to unprecedented precision. This new measurement will allow to test the completeness of the Standard Model (SM) and to validate other theoretical models beyond the SM. The close interplay of the understanding of particle beam dynamics and the preparation of the beam properties with the experimental measurement is tantamount to the reduction of systematic errors in the determination of the muon anomalous magnetic moment. We describe progress in developing detailed calculations and modeling of the muon beam delivery system in order to obtain a better understanding of spin-orbit correlations, nonlinearities, and more realistic aspects that contribute to the systematic errors of the g-2 measurement. Our simulation is meant to provide statistical studies of error effects and quick analyses of running conditions for when g-2 is taking beam, among others. We are using COSY, a differential algebra solver developed at Michigan State University that will also serve as an alternative to compare results obtained by other simulation teams of the g-2 Collaboration.

43 PARTICLE ACCELERATORS↗

DOE OSTI2016

Focused Research Group in Correlated Electron and Complex Materials

While the remarkable physical properties of correlated and complex electronic materials hold great promise for technological applications, one of the key values of the research in this field is its profound impact on fundamental physics. The transition metal oxides, pnictides, and chalcogenides play a key role and occupy an especially important place in this field. The basic reason is that the outer shell of transition metals contains the atomic d-orbitals that have small spatial extent, but not too small to behave as localized orbtials. These d-electrons therefore have a small wave function overlap in a solid, e.g. in an octahedral environment, and form energy bands that are relatively narrow and on the scale of the short-range intra-atomic Coulomb repulsion (Hubbard U). In this intermediate correlation regime lies the challenge of the many-body physics responsible for new and unconventional physical properties. The study of correlated electron and complex materials represents both the challenge and the vitality of condensed matter and materials physics and often demands close collaborations among theoretical and experimental groups with complementary techniques. Our team has a track record and a long-term research goal of studying the unusual complexities and emergent behaviors in the charge, spin, and orbital sectors of the transition metal compounds in order to gain basic knowledge of the quantum electronic states of matter. During the funding period of this grant, the team continued their close collaborations between theory, angle-resolved photoemission spectroscopy, and scanning tunneling microscopy and made significant progress and contributions to the field of iron-based superconductors, copper-oxide high-temperature superconductors, triangular lattice transition metal oxide cobaltates, strontium ruthenates, spin orbital coupled iridates, as well as topological insulators and other topological quantum states of matter. These results include both new discoveries and the resolution to outstanding and unresolved issues. It should be emphasized that the DOE funding provided the crucial support for the close and meaningful collaborations of the focused research group that go far beyond simply putting the research papers from each group together. Indeed, the majority of the publications involved multiple PIs and collaborations between theory and experiments.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Full Simulation of CMS for Run-3 and Phase-2

In this contribution we report the status of the CMS Geant4 simulation and the prospects for Run-3 and Phase-2. Firstly, we report about our experience during the start of Run-3 with Geant4 10.7.2, the common software package DD4hep for geometry description, and VecGeom runtime geometry library. In addition, FTFP_BERT_EMM Physics List and CMS configuration for tracking in magnetic field have been utilized. For the first time, for the Grid mass production of Monte-Carlo, this combination of components is used. Further simulation improvements are under development targeting Run-3 such as the switch to the new Geant4 11.1 in production, that provides several features important for the optimization of simulation, for example the new transportation process with built-in multiple scattering, neutron general process, custom tracking manager, G4HepEm sub-library, and others. We will present evaluation of various options, validation results, and the final choice of simulation configuration for 2023 production and beyond. The performance of the CMS full simulation for Run-2 and Run-3 will also be discussed. CMS development plan for the Phase-2 Geant4 based simulation is very ambitious, and it includes a new geometry description, physics, and simulation configurations. The progress on new detector descriptions and full simulation will be presented as well as the R&D in progress to reduce compute capacity needs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

The Uranium-Containing and Thorium-Containing Anions Studied by Photoelectron Spectroscopy

An in-depth knowledge of actinide chemistry is fundamental to many aspects of nuclear science and technology, including the synthesis and processing of materials and the remediation of waste disposal sites. Among the actinides, the chemical bonding behaviors of actinium and thorium resemble those of the transition metals; the 5f-electrons of protactinium, uranium, neptunium, and plutonium often play important roles in their bonding; and among the still heavier elements, their bonding tends to mimic the lanthanide elements in terms of electron shielding and their f-electron contributions. Bonding that involves 5f-electrons, however, is especially important, in part because of the significance of uranium and plutonium, but also because these elements are among the few where f-electron participation in bonding is relatively common. This work focused on studying uranium-containing and thorium-containing anions in the gas phase using negative ion photoelectron spectroscopy. Since this technique directly probed valence electrons, it was uniquely positioned to address open questions regarding molecular bonding and electron configurations. A particularly important issue concerned how bonding in actinide-containing molecules was affected by modifications to their actinide atoms’ environment, i.e., due to their interaction with ligands. A closely related question was how actinide atoms’ suborbitals were qualitatively reordered and their energies quantitatively shifted as a result of their ligated environments. These were especially relevant issues in regard to uranium due to it having multiple possible oxidation states (OS) and the potential for 5f electron participation in bonding. The effects of ligands on oxidation states and 5f-orbital energies in uranium bonding was expected to be pronounced. Both ligands and excess electrons were seen as probes of actinide atoms within actinide-containing molecules. Our strategy for advancing knowledge of chemical bonding in the actinide-containing species utilized the synergy between experiments and theory, where in some cases experimental results validated theory and where in others computational results assisted in interpreting experiments. Calculations on actinide systems are terrifically challenging due to large spin-orbit interactions, relativistic effects, and just the sheer number of electrons involved. Even in the simplest species, e.g., U and U2, the most sophisticated, modern calculations carried out by the most experienced theorists often only approximate experimentally-measured values, such as electron affinities. For theory to provide confident predictions that can be used to solve real problems it needed an iterative and ultimately corrective mechanism by which its methods can develop further. Experiments can be used to identify when theory has failed; whereupon the subsequent process of using the experiment-theory interplay can be used to find the cause of the failure. Upon fixing it in one case, different test species can be proposed and studied by the experiment-theory combination to determine whether the problem has been corrected. Thus, experiments not only measure the values of molecular properties, they also provide navigational 3 beacons that keep computations off the reefs in an otherwise dark sea with few reference points. Experimental measurements in the actinide field are not only important, they are in actuality essential to computational progress. While it was not always possible to compare the theoreticallydetermined quantity of interest directly with the same experimentally-measured observable, it was usually possible to compare consequential properties that are both calculable and measurable. In the work completed here electron affinities and electronic state spacings were often sensitive consequential parameters. Reasonable agreement between measured and computational values signaled that a calculation that was very likely to be on-track. We had established collaborative relationships with five computational groups, all of which have expertise in computational actinide chemistry. Their PI’s are L. Cheng, D. Dixon, L. Gagliardi, K. Peterson, and B. Vlaisavljevich. Our close interaction with our theory partners led to us suggesting systems to them and them to us. This reciprocal interaction between our experimental and their computational results was among the most important strengths of this work and was a thread woven throughout. Even though anion photoelectron spectroscopic studies are conducted on anions, much of the information that they provide, pertains to the electronic structure of the neutral counterparts of those anions; among these are electron affinities and electronically excited state spacings. Our experimental tools included several specialized ion sources for forming the anionic species of interest, a mass spectrometer for identifying and mass-selecting them, and an anion photoelectron spectrometer for determining their electron affinities (EA) and characterizing the electronic states of the selected anions’ neutral counterparts. Anion photoelectron spectroscopy is conducted by crossing a mass-selected beam of anions with a fixed-frequency laser beam and energy-analyzing the resultant photodetached electrons. The photodetachment process is governed by the energyconserving relationship: hν = EBE + EKE, where hν is the photon’s energy, EBE is the electron binding (photodetachment transition) energy, and EKE is the electron’s kinetic energy. In our apparatus mass-selection is accomplished via time-of-flight mass spectrometry (TOF-MS), electron energy analysis is achieved with either a magnetic bottle or by velocity mapped imaging. Photodetachment of electrons from anions is implemented via either Nd:YAG or excimer lasers. The photodetachment transition energy, i.e., the EBE, between the ground vibrational and electronic state of an anion and the ground vibrational and electronic state of that anion’s neutral counterpart is the adiabatic electron affinity (EA) of that neutral molecule. Likewise, photodetachment transitions between the ground vibrational and electronic state of an anion and the various electronically-excited states of that anion’s corresponding neutral map the electronic spectrum of that neutral species, i.e., the spectral spacings in the photoelectron spectrum are a mirror image of the neutral’s electronic spectrum. It was, of course, crucial to be able to form the anionic species of interest. There, we had a particularly broad field of anion sources from which to choose. These included several variants of pulsed laser vaporization (LV), laser photoemission, infrared desorption plus photoemission, pulsed arc discharge (PACIS), electrospray ionization (ESI), and Rydberg electron transfer (RET). Each of these anion sources were readily combined with, i.e., connected to, the anion photoelectron spectroscopic portion of our apparatus as described above. Among the sources that utilize lasers, visible light for LV sources as well as IR for desorption sources are provided by Nd:YAG lasers. Ultraviolet photons are provided by both Nd:YAG and excimer lasers, whereas the excitation wavelengths for RET experiments come from two Nd:YAG-pumped dye lasers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

GEM detectors for the CMS endcap muon system: status of three new detector stations

The High-Luminosity LHC (HL-LHC, or Phase-2 LHC) will deliver proton-proton collisions at 5–7.5 times the nominal LHC luminosity, with an expected number of 140–200 pp-interactions per bunch crossing (Pile-up or PU). To maintain the performance of muon triggering and reconstruction under high background, the forward part of the Muon Spectrometer of the CMS experiment will be upgraded with Gas Electron Multipliers (GEM) and improved Resistive Plate Chambers (iRPC) detectors. A first GEM station (GE1/1) was installed during Long Shutdown 2 (LS2, 2019–2021), a 2 nd station (GE2/1) of Triple-GEM detectors will be installed in winter 2023–24 and 2024–25, while a new 6-layer station (ME0) will be installed in the third Long Shutdown (LS3, 2026–2028). GE11 is considered an early Phase-2 upgrade as it will reduce the p T threshold by combining GEM and Cathode Strip Chamber (CSC) hits in the forward muon system at twice the LHC design luminosity ($\mathcal{L}$ = 2 · 10 34 cm -2 s -1 , 50 PU). After a successful start of Run-3 in 2022, with almost 40 fb -1 collected, the commissioning of the GE1/1 detector is nearly complete. Most chambers are operated stably with an efficiency in excess of 95%, next being the demonstration of the combined CSC-GEM trigger in 2023. The lessons learnt with the first large-area GEM station have lead to improvements in detector and electronics design for the Phase 2 detectors GE2/1 and ME0. This proceeding will discuss the progress made since last MPGD Conference (MPGD 2019), discussing the commissioning and early performance of GE1/1; the design improvements and start of construction of GE2/1; and the R&D currently ongoing for ME0.

47 OTHER INSTRUMENTATION↗

DOE OSTI2014

Laboratory studies of 2H evaporator scale dissolution in dilute nitric acid

The rate of 2H evaporator scale solids dissolution in dilute nitric acid has been experimentally evaluated under laboratory conditions in the SRNL shielded cells. The 2H scale sample used for the dissolution study came from the bottom of the evaporator cone section and the wall section of the evaporator cone. The accumulation rate of aluminum and silicon, assumed to be the two principal elemental constituents of the 2H evaporator scale aluminosilicate mineral, were monitored in solution. Aluminum and silicon concentration changes, with heating time at a constant oven temperature of 90 deg C, were used to ascertain the extent of dissolution of the 2H evaporator scale mineral. The 2H evaporator scale solids, assumed to be composed of mostly aluminosilicate mineral, readily dissolves in 1.5 and 1.25 M dilute nitric acid solutions yielding principal elemental components of aluminum and silicon in solution. The 2H scale dissolution rate constant, based on aluminum accumulation in 1.5 and 1.25 M dilute nitric acid solution are, respectively, 9.21E-04 ± 6.39E-04 min{sup -1} and 1.07E-03 ± 7.51E-05 min{sup -1}. Silicon accumulation rate in solution does track the aluminum accumulation profile during the first few minutes of scale dissolution. It however diverges towards the end of the scale dissolution. This divergence therefore means the aluminum-to-silicon ratio in the first phase of the scale dissolution (non-steady state conditions) is different from the ratio towards the end of the scale dissolution. Possible causes of this change in silicon accumulation in solution as the scale dissolution progresses may include silicon precipitation from solution or the 2H evaporator scale is a heterogeneous mixture of aluminosilicate minerals with several impurities. The average half-life for the decomposition of the 2H evaporator scale mineral in 1.5 M nitric acid is 12.5 hours, while the half-life for the decomposition of the 2H evaporator scale in 1.25 M nitric acid is 10.8 hours. Based on averaging the two half-lives from the 2H scale acid dissolution in 1.25 and 1.5 M nitric acid solutions, a reasonable half-live for the dissolution of 2H scales in dilute nitric acid is 11.7 ± 1.3 hours. The plant operational time for chemically cleaning (soaking) the 2H evaporator with dilute nitric acid is 32 hours. It therefore may require about 3 half-lives or less to completely dissolve most of the scales in the Evaporator pot which come into contact with the dilute nitric acid solution. On a mass basis, the Al-to-Si ratio for the scale dissolution in 1.5 M nitric acid averaged 1.30 ± 0.20 and averaged 1.18 ± 0.10 for the 2H scale dissolution in 1.25 M nitric acid. These aluminum-to-silicon ratios are in fairly good agreement with ratios from previous studies. Therefore, there is still more aluminum in the 2H evaporator scales than silicon which implies that there are no significant changes in scale properties which will exclude nitric acid as a viable protic solvent for aluminosilicate scale buildup dissolution from the 2H evaporator. Overall, the monitoring of the scale decomposition reaction in 1.25 and 1.5 M nitric acid may be better ascertained through the determination of aluminum concentration in solution than monitoring silicon in solution. Silicon solution chemistry may lead to partial precipitating of silicon with time as the scale and acid solution is heated.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

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↗

DOE OSTI2012

Simulation and laboratory test results of 3D CMS pixel detectors for HL-LHC

The CMS pixel detector is the innermost tracking device at the LHC, reconstructing interaction vertices and charged particle trajectories. The current planar sensors located in the innermost layer of the pixel detector will be exposed to very high fluences which will degrade their performances. As a possible replacement for planar pixel sensors in the High Luminosity-LHC (HL-LHC), 3D silicon technology is under consideration due to its expected good performance in harsh radiation environments. Studies are also in progress for using 3D silicon pixel detectors in near-beam proton spectrometers at the LHC. Deep Reactive Ion Etching (DRIE) plays a key role in fabricating 3D silicon detectors in which readout and ohmic electrodes are processed through the silicon substrate instead of being implanted on the silicon surface. 3D pixel devices considered in this study were processed at FBK (Trento, Italy), bump bonded to the CMS pixel readout chip, and characterized in the laboratory. Numerical simulations were also carried out. We report on selected results from laboratory measurements and TCAD simulations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

A multi-modal scanning system to digitize CBRNE emergency response scenes

A handheld system developed to digitize a contextual understanding of the scene at a chemical, biological, radiological, nuclear and/or explosives (CBRNE) events is described. The system uses LiDAR and cameras to create a colorized 3D model of the environment, which helps domain experts that are supporting responders in the field. To generate the digitized model, a responder scans any suspicious objects and the surroundings by carrying the system through the scene. The scanning system provides a real-time user interface to inform the user about scanning progress and to indicate any areas that may have been missed either by the LiDAR sensors or the cameras. Currently, the collected data are post-processed on a different device, building a colorized triangular mesh of the encountered scene, with the intention of moving this pipeline to the scanner at a later point. The mesh is sufficiently compressed to be sent over a reduced bandwidth connection to a remote analyst. Furthermore, the system tracks fiducial markers attached to diagnostic equipment that is placed around the suspicious object. The resulting tracking information can be transmitted to remote analysts to further facilitate their supporting efforts. The paper will discuss the system's design, software components, the user interface used for scanning a scene, the necessary procedures for calibration of the sensors, and the processing steps of the resulting data. The discussion will close by evaluating the system's performance on 11 scenes.

Salathe, Marco↗

DOE OSTI2022

A multi-modal scanning system to digitize CBRNE emergency response scenes

Prins, Nicholas↗

DOE OSTI2017

Comparison of Mutual Awareness in Analog vs. Digital Control Rooms

Control rooms in nuclear power plants are complex, collaborative working environments rife with potential for human error. As control rooms evolve from analog to digital interface environments, crew communication strategies must change as well. Operators in the analog control room operate the plant and communicate with each other with the help of control boards with large control panels, meters, and switches. Reactor operators could choose a particular set of controls on the particular control board which corresponds to the part of the system of interest. Visual display units (VDU), which became a fixture in the control rooms with the shift to digital human-machine interfaces (HMI), bring benefits for safety and flexibility combining information from various sources. With the increase in automation and the use of digital HMIs operators received their personal sitting workstations where they are able to navigate and operate the plant. The amount of information increased as well as the complexity of monitoring and analyzing the system states. Also computerized systems cause operators to get absorbed by their personal screens and reduce interaction between the crew members. Therefore, the collaboration and coordination of task demands requires vigilance and mutual awareness. The level of automation has an influence on the level of mutual awareness experienced by operators in the control rooms. Teams function to carry out highly interdependent tasks, requiring synthesis and sharing of information to achieve common goals. Improving the performance of the team necessitates the operators to focus on the system, the surrounding environment, and situational awareness about the system states. Collaboration of team members is critical when employing the digital operating systems as the acute awareness of the overall progress of the group and individual activities of the operators drives the team to the desired end-states of the plant operations. Out-of-the loop (OOTL) performance problems can be referred to as the lack of supervisory control, system monitoring, and information processing in the digital HMIs. Under some circumstances Senior Reactor Operators (SRO) struggle to follow the actions of other Reactor Operators (RO) because with the new digital interfaces SROs lose track of how the procedures are carried out by ROs, which results in the loss of three way communication. Mutual awareness plays a significant role in keeping the SROs in the loop of plant operations. This paper will investigate, through literature review and expert interviews, the impact and human errors attributed to the increasing complexity of new digital main control rooms. Comparison of the new digital interfaces with the analog interfaces in nuclear power plants has the potential to shed light on increasing mutual awareness and three way communications between the SROs and ROs. Further, identification of the human errors and human actions can provide beneficial information, suggesting significant and critical improvements that can be implemented in the main control rooms to increase safety and reliability of new technology. Additionally, insights on mutual awareness for analog vs. digital control rooms can serve to improve human reliability.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2019

Tracking Restoration And Closure (TRAC): Status Update on Story Maps for Communicating Site Cleanup and Closure Status - 19033

The U.S. Department of Energy (DOE) Office of Environmental Management (EM) initiated the development of a customized, web-based mapping tool for communicating technical information on groundwater plumes at sites within the EM complex. Although the online tool was initially conceived to be a simple conversion of a paper report on contaminant plume sizes, remedial approaches, and regulatory status, it has advanced to providing specific information on cleanup status and site closure. The story maps provide robust geospatial visualization of plumes at DOE sites, as well as explanatory text, photographs, and video for an entire site, or for a management unit within the site. This collection of story maps is called TRAC (Tracking Restoration And Closure), and not only communicates information for each individual site, but also summarizes pertinent metrics on cleanup and remaining contaminants across all EM sites. TRAC is focused on communicating cleanup status, technical challenges, and needs for site closure, with a key challenge of transforming data into relevant, easily understood information. Although DOE managers are the target audience, the story maps can also be used to contribute to public understanding of groundwater cleanup progress at EM sites. Unlike the data access tools maintained at some EM sites (e.g., Hanford, Portsmouth, and Paducah), TRAC is neither a portal for data downloads, nor a tool for performing data analytics. Rather, the goal of TRAC is to provide relevant information on cleanup progress and closure that is consistent across all sites, allowing the user to view summary information across all sites, or examine information relevant to a particular site. This information sharing is needed to maintain open communications with interested parties and communicate efforts that ensure long-term protection of human health and the environment. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2017

Enhancing Indacenodithiophene Acceptor Crystallinity via Substituent Manipulation Increases Organic Solar Cell Efficiency

The post-fullerene indacenodithiophene acceptor ITIC is a highly effective n-type component of high-performance bulk-heterojunction (BHJ) polymer solar cells (PSCs) for reasons that are not well-understood. Here, the impact of the ITIC alkyl substituent architecture on PSC active layer film morphology, charge transport, and photovoltaic (PV) performance is investigated with the donor polymers PBDB-T and PBDB-TF. On progressing from n-propyl to n-hexyl to n-nonyl ITIC substituents, PSC power conversion efficiency (PCE) increases from <0.1 % to 9.31% to 10.24%, respectively. BHJ blend morphology, carrier recombination dynamics, and PV performance with both donor polymers as probed by AFM, XRD, GIWAXS, and light intensity dependence correlate with marked differences in ITIC acceptor crystallinity. The DSC cold crystallization temperatures of the nhexyl and n-nonyl-functionalized acceptors are found to closely track the annealing temperatures for optimum PSC performance. These results identify a promising strategy for optimizing the performance of post-fullerene acceptor PSCs.

14 SOLAR ENERGY↗