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At least 541 records · Page 30

Xenon doping of liquid argon in ProtoDUNE single phase

The Deep Underground Neutrino Experiment (DUNE) will be the next generation long-baseline neutrino experiment. The far detector is designed as a complex of four LAr-TPC (Liquid Argon Time Projection Chamber) modules with 17 kt of liquid argon each. The development and validation of the first far detector technology is pursued through ProtoDUNE Single Phase (ProtoDUNE-SP), a 770 t LAr-TPC at CERN Neutrino Platform. Crucial in DUNE is the photon detection system that will ensure the trigger of non-beam events — proton decay, supernova neutrino burst and BSM searches — and will improve the timing and calorimetry for neutrino beam events. Doping liquid argon with xenon is a known technique to shift the light emitted by argon (128 nm) to a longer wavelength (178 nm) to ease its detection. The largest xenon doping test ever performed in a LAr-TPC was carried out in ProtoDUNE-SP. From February to May 2020, a gradually increasing amount of xenon was injected to also compensate for the light loss due to air contamination. The response of such a large TPC has been studied using the ProtoDUNE-SP Photon Detection System (PDS) and a dedicated setup installed before the run. With the first it was possible to study the light collection efficiency with respect to the track position, while with the second it was possible to distinguish the xenon light (178 nm) from the LAr light (128 nm). The light shifting mechanism proved to be highly efficient even at small xenon concentrations (<20 ppm in mass) furthermore it allowed recovering the light quenched by pollutants. The light collection improved far from the detection plane, enhancing the photon detector response uniformity along the drift direction and confirming a longer Rayleigh scattering length for 178 nm photons, with respect to 128 nm ones. The charge collection by the TPC was monitored proving that xenon up to 20 ppm does not impact its performance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Mismatching integration-enabled strains and defects engineering in LDH microstructure for high-rate and long-life charge storage

Layered double hydroxides (LDH) have been extensively investigated for charge storage, however, their development is hampered by the sluggish reaction dynamics. Herein, triggered by mismatching integration of Mn sites, we configured wrinkled Mn/NiCo-LDH with strains and defects, where promoted mass & charge transport behaviors were realized. The well-tailored Mn/NiCo-LDH displays a capacity up to 518 C g -1 (1 A g -1 ), a remarkable rate performance (78%@100 A g -1 ) and a long cycle life (without capacity decay after 10,000 cycles). We clarified that the moderate electron transfer between the released Mn species and Co 2+ serves as the pre-step, while the compressive strain induces structural deformation with promoted reaction dynamics. Theoretical and operando investigations further demonstrate that the Mn sites boost ion adsorption/transport and electron transfer, and the Mn-induced effect remains active after multiple charge/discharge processes. This contribution provides some insights for controllable structure design and modulation toward high-efficient energy storage.

25 ENERGY STORAGE↗

Integration of physiologically relevant photosynthetic energy flows into whole genome models of light‐driven metabolism

SUMMARY Characterizing photosynthetic productivity is necessary to understand the ecological contributions and biotechnology potential of plants, algae, and cyanobacteria. Light capture efficiency and photophysiology have long been characterized by measurements of chlorophyll fluorescence dynamics. However, these investigations typically do not consider the metabolic network downstream of light harvesting. By contrast, genome‐scale metabolic models capture species‐specific metabolic capabilities but have yet to incorporate the rapid regulation of the light harvesting apparatus. Here, we combine chlorophyll fluorescence parameters defining photosynthetic and non‐photosynthetic yield of absorbed light energy with a metabolic model of the pennate diatom Phaeodactylum tricornutum. This integration increases the model predictive accuracy regarding growth rate, intracellular oxygen production and consumption, and metabolic pathway usage. Through the quantification of excess electron transport, we uncover the sequential activation of non‐radiative energy dissipation processes, cross‐compartment electron shuttling, and non‐photochemical quenching as the rapid photoacclimation strategy in P. tricornutum. Interestingly, the photon absorption thresholds that trigger the transition between these mechanisms were consistent at low and high incident photon fluxes. We use this understanding to explore engineering strategies for rerouting cellular resources and excess light energy towards bioproducts in silico . Overall, we present a methodology for incorporating a common, informative data type into computational models of light‐driven metabolism and show its utilization within the design–build–test–learn cycle for engineering of photosynthetic organisms.

59 BASIC BIOLOGICAL SCIENCES↗

Protoplanetary Disk Rings as Sites for Planetesimal Formation

Axisymmetric dust rings are a ubiquitous feature of young protoplanetary disks. These rings are likely caused by pressure bumps in the gas profile; a small bump can induce a traffic-jam-like pattern in the dust density, while a large bump may halt radial dust drift entirely. The resulting increase in dust concentration may trigger planetesimal formation by the streaming instability (SI), as the SI itself requires some initial concentration of dust. Here we present the first 3D simulations of planetesimal formation in the presence of a pressure bump modeled specifically after those seen by Atacama Large Millimeter/submillimeter Array. We place a pressure bump at the center of a large 3D shearing box, along with an initial solid-to-gas ratio of Z = 0.01, and we include both particle back-reaction and particle self-gravity. We consider millimeter-sized and centimeter-sized particles separately. For simulations with centimeter-sized particles, we find that even a small pressure bump leads to the formation of planetesimals via the SI; a pressure bump does not need to fully halt radial particle drift for the SI to become efficient. Furthermore, pure gravitational collapse via concentration in pressure bumps (such as would occur at sufficiently high concentrations and without the SI) is not responsible for planetesimal formation. For millimeter-sized particles, we find tentative evidence that planetesimal formation does not occur. If this result is confirmed at higher resolution, it could put strong constraints on where planetesimals can form. Ultimately, our results show that for centimeter-sized particles planetesimal formation in pressure bumps is extremely robust.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Impacts of floating-point non-associativity on reproducibility for HPC and deep learning applications

Run to run variability in parallel programs caused by floating-point non-associativity has been known to significantly affect reproducibility in iterative algorithms, due to accumulating errors. Non-reproducibility can critically affect the efficiency and effectiveness of correctness testing for stochastic programs. Recently, the sensitivity of deep learning training and inference pipelines to floating-point non-associativity has been found to sometimes be extreme. It can prevent certification for commercial applications, accurate assessment of robustness and sensitivity, and bug detection. New approaches in scientific computing applications have coupled deep learning models with high-performance computing, leading to an aggravation of debugging and testing challenges. Here we perform an investigation of the statistical properties of floating-point non-associativity within modern parallel programming models, and analyze performance and productivity impacts of replacing atomic operations with deterministic alternatives on GPUs. We examine the recently-added deterministic options in PyTorch within the context of GPU deployment for deep learning, uncovering and quantifying the impacts of input parameters triggering run to run variability and reporting on the reliability and completeness of the documentation. Finally, we evaluate the strategy of exploiting automatic determinism that could be provided by deterministic hardware, using the Groq LPUTM accelerator for inference portions of the deep learning pipeline. We demonstrate the benefits that a hardware-based strategy can provide within reproducibility and correctness efforts.

Shanmugavelu, Sanjif↗

Dynamic modeling of orographically induced precipitation

Local orography governs the triggering of cloud formation and the enhancement of processes such as condensation and hydrometeor nucleation and growth in mountainous regions. Intense, lengthy precipitation events are typical upwind of the topographic divide, with sharply decreasing magnitude and duration on the lee side. Differences in mean annual precipitation of several hundred percent between windward slopes of orographic barriers and adjacent valleys or lee side slopes are not unusual. Because much of the streamflow in areas such as the western United States is derived from mountainous areas that are remote and often poorly instrumented, modeling of orographic precipitation has important implications for water resources management. Models of orographically induced precipitation differ by their treatment of atmospheric dynamics and by the extent to which they rely on bulk parameterization of cloud and precipitation physics. Adiabatic ascent and a direct proportionality between efficiency and orographically magnified updrafts are the most frequent assumptions in orographic precipitation modeling. Space-time discretization (i.e., resolution) is a major issue because of the high spatial variability of orographic precipitation. For a specific storm, relative errors as large as 50 to 100% are common in the forecast/hindcast of precipitation intensity and can be even larger in the case of catastrophic storms. When monthly or seasonal timescales are used to evaluate model performance, the magnitude of such errors decreases dramatically, reaching values as low as 10 to 15%. Current research is focusing on the development of data assimilation techniques to incorporate radar and satellite observations, and on the development of aggregation and disaggregation methodologies to address the implications of modeling a multiscale problem at restricted spatial and temporal resolutions.

Barros, Ana Paula↗

Loss of zebrafish Smyd1a interferes with myofibrillar integrity without triggering the misfolded myosin response

Highlights: • Smyd1a is expressed in fast-twitch skeletal as well as heart muscle. • Loss-of smyd1b can be compensated by overexpression of smyd1a. • Smyd1a and smyd1b are part of different transcriptional regulatory mechanisms. Sarcomeric protein turnover needs to be tightly balanced to assure proper assembly and renewal of sarcomeric units within muscle tissues. The mechanisms regulating these fundamental processes are only poorly understood, but of great clinical importance since many cardiac and skeletal muscle diseases are associated with defective sarcomeric organization. The SET- and MYND domain containing protein 1b (Smyd1b) is known to play a crucial role in myofibrillogenesis by functionally interacting with the myosin chaperones Unc45b and Hsp90α1. In zebrafish, Smyd1b, Unc45b and Hsp90α1 are part of the misfolded myosin response (MMR), a regulatory transcriptional response that is activated by disturbed myosin homeostasis. Genome duplication in zebrafish led to a second smyd1 gene, termed smyd1a. Morpholino- and CRISPR/Cas9-mediated knockdown of smyd1a led to significant perturbations in sarcomere structure resulting in decreased cardiac as well as skeletal muscle function. Similar to Smyd1b, we found Smyd1a to localize to the sarcomeric M-band in skeletal and cardiac muscles. Overexpression of smyd1a efficiently compensated for the loss of Smyd1b in flatline (fla) mutant zebrafish embryos, rescued the myopathic phenotype and suppressed the MMR in Smyd1b-deficient embryos, suggesting overlapping functions of both Smyd1 paralogs. Interestingly, Smyd1a is not transcriptionally activated in Smyd1b-deficient fla mutants, demonstrating lack of genetic compensation despite the functional redundancy of both zebrafish Smyd1 paralogs.

60 APPLIED LIFE SCIENCES↗

DNA Repair-Protein Relocalization After Heavy Ion Exposure

Ionizing radiation is good at making DNA double strand breaks, and high linear energy transfer (LET) radiations such as heavy ion particles are particularly efficient. For this reason, the proteins belonging to repair systems that deal with double strand breaks are of particular interest. One such protein is Ku, a component in the non-homologous recombination repair system. The Ku protein is an abundant, heterodimeric DNA end-binding complex, composed of one 70 and one 86 kDa subunit. Ku protein binds to DNA ends, nicks, gaps, and regions of transition between single and double-stranded structure. These binding properties suggest an important role in DNA repair. The Ku antigen is important in this study because it is present in relatively large copy numbers and it is part of a double-strand-break repair system. More importantly, we consistently measure an apparent upregulation in situ that is not verified by whole-cell-lysate immunoblot measurements. This apparent upregulation is triggered by very low doses of radiation, thus showing a potentially useful high sensitivity. However, elucidation of the mechanism underlying this phenomenon is still to be done.

Metting, N. F.↗

Boosting the Activity of Pd Single Atoms by Tuning Their Local Environment on Ceria for Methane Combustion

Abstract Supported Pd single atom catalysts (SACs) have triggered great research interest in methane combustion yet with contradicting views on their activity and stability. Here, we show that the Pd SAs can take different electronic structure and atomic geometry on ceria support, resulting in different catalytic properties. By a simple thermal pretreatment to ceria prior to Pd deposition, a unique anchoring site is created. The Pd SA, taking this site, can be activated to Pd δ + (0< δ <2) that has greatly enhanced activity for methane oxidation: T 50 lowered by up to 130 °C and almost 10 times higher turnover frequency compared to the untreated catalyst. The enhanced activity of Pd δ + site is related to its oxygen‐deficient local structure and elongated interacting distance with ceria, leading to enhanced capability in delivering reactive oxygen species and decomposing reaction intermediates. This work provides insights into designing highly efficient Pd SACs for oxidation reactions.

Yang, Weiwei↗

Workflow Submit Nodes as a Service on Leadership Class Systems

DOE scientists, today, have access to high performance computing (HPC) facilities with very powerful systems that enable them to execute their computations faster, more efficiently, and at greater scales than ever before. To further their knowledge and produce new discoveries, scientists rely on workflows - sometimes very complex - that provide them with an easy way to automate, reproduce and verify their computations. However, historically, creating workflow submission environments in large HPC facilities has been cumbersome, requires expertise and many man-hours of effort due to the peculiarities, policies, and the restrictions that these systems present. In this paper we discuss the approach a large DOE facility (OLCF) is taking in order to provide containers as a service to its users. This capability is used to create Pegasus workflow management system submit nodes as a service (WSaaS) at the Oak Ridge Leadership Computing Facilities (OLCF), targeting the Summit supercomputer. This deployment builds upon the Kubernetes/Openshift cluster (Slate) that exists within OLCF’s DMZ and its automation triggers. Additionally, we evaluate our approach’s overhead and effort to deploy the solution as compared to previous solutions, such as setting up a Pegasus submission environment on OLCF’s login nodes or submitting jobs remotely via the rvGAHP.

Papadimitriou, George↗

Parameterized anomalous transport model for current-carrying collisionless plasmas in pulsed power inertial confinement fusion

Current delivery in pulsed power inertial confinement fusion is influenced by collisionless current-carrying microturbulent plasmas, which are sourced from electrode surfaces. In this setting, the lower hybrid drift instability—triggered by plasma acceleration—is a leading candidate driver of difficult-to-predict momentum and energy transport. To characterize the nonlinear state of the microturbulent plasma, a parameterized anomalous transport model is developed for the instability, with analytic formulas for anomalous collision frequency, resistivity, and species heating rates. The formulas are expressed in terms of linear-theory variables and four dimensionless parameters that characterize the macroscopic plasma state. The model is built on linear theory analysis, power law analysis, and quasilinear theory analysis, and is validated using a series of nonlinear continuum kinetic Vlasov–Poisson simulations. The theoretical and computational investigation demonstrates that the anomalous collision frequency associated with the instability can be reliably approximated, within about a factor of five or better, by the unscaled linear theory growth rate of the fastest-growing wavenumber mode. This finding enables efficient calculation of anomalous resistivity and species heating rates over a wide range of plasma conditions, resulting in improved predictive capabilities.

Complex functions↗

Boosting the Activity of Pd Single Atoms by Tuning Their Local Environment on Ceria for Methane Combustion

Supported Pd single atom catalysts (SACs) have triggered great research interest in methane combustion yet with contradicting views on their activity and stability. Here, in this paper, we show that the Pd SAs can take different electronic structure and atomic geometry on ceria support, resulting in different catalytic properties. By a simple thermal pretreatment to ceria prior to Pd deposition, a unique anchoring site is created. The Pd SA, taking this site, can be activated to Pd δ+ (0<δ<2) that has greatly enhanced activity for methane oxidation: T 50 lowered by up to 130 °C and almost 10 times higher turnover frequency compared to the untreated catalyst. The enhanced activity of Pd δ+ site is related to its oxygen-deficient local structure and elongated interacting distance with ceria, leading to enhanced capability in delivering reactive oxygen species and decomposing reaction intermediates. This work provides insights into designing highly efficient Pd SACs for oxidation reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

MaPSA Quality Control and AI-Enhanced Grading For the CMS Phase-II Tracker Upgrade

The Compact Muon Solenoid (CMS) experiment will undergo changes as part of the Large Hadron Collider upgrade. The CMS tracker will be upgraded to cope with the new radiation environment and to provide tracking at the first level trigger. This upgrade features a new type of silicon module called PS Module, which combines a Pixel sensor and a Strip sensor in the same module. The pixel portion of the PS module has a sensor bump bonded to 16 Macro Pixel ASICs (MPA) to form a Macro Pixel Sub Assembly (MaPSA). At Fermilab, MaPSAs are tested for quality control before being assembled with the strip sensors, readout and service electronics to form a PS Module. All of this test data is stored in a centralized database, and is used to grade the final module to determine if it will be installed in the detector. The Phase II Outer Tracker Analyzer of Test Outputs (POTATO) is the software that processes this data and determines the module grades. Using recent technologies, an AI agent is being im plemented into POTATO in order to allow users to more efficiently sort through the large amounts of analysis data and ensure that only the user specified data is being considered. This poster will display the process of testing a MaPSA, how that test data is relevant to module assembly and grading, and how the POTATO grading tool is being improved with the use of an embedded AI agent.

Gzamouranis, Olivia [Purdue U.]↗

Boosting Photoelectric Conductivity in Porphyrin-Based MOFs Incorporating C 60

Electronic structure calculations show that guest C60 in the porphyrin-containing metal organic frameworks Zn 2 (TCPB)(DA-ZnP) (DA-MOF; H 4 TCPB = 1,2,4,5-tetrakis(4-carboxyphenyl)benzene, DA-ZnP = [5,15-bis[(4-pyridyl)ethynyl]-10,20-diphenylporphinato]zinc(II)) and Zn 2 (TCPB)(F-ZnP) (F-MOF; F-ZnP = [5,15-di(4-pyridyl)-10,20-bis(pentafluorophenyl)porphinato]zinc(II)) engenders high photoelectrical conductivity due to efficient donor–acceptor charge-transfer (CT) interactions. Structural modifications at the meso position of the porphyrin influence the preferred positions of C 60 within the frameworks, giving rise to host–guest interactions with different anisotropic structural, electronic, and optoelectronic properties. A preferred slipped-parallel π-stacked interaction of C 60 that is predicted for NH 2 -substituted DA-MOF and F-MOF fosters strong CT transitions and lowers band gaps by ~1.0 eV compared to the pristine DA-MOF and F-MOF. Hopping rates computed using Marcus theory are found to be anisotropic and accelerated by multiple orders of magnitude across π-stacked interfaces created by C 60 incorporation, a consequence of strong electronic coupling between initial and final diabatic states. Calculations indicate that photoinduced electron transfer, as well as direct CT from porphyrin to C 60 upon irradiation, triggers a charge separation process that leads to the formation of what should be long-lived electron-trapped states at the heterojunctions. Lastly, design principles revealed here for the control of photophysical and electron-transfer processes will be useful for constructing new MOF-derived visible- and infrared-based optoelectronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The physics basis to integrate an MHD stable, high-power hybrid scenario to a cool divertor for steady-state reactor operation

Abstract Coupling a high-performance core to a low heat flux divertor is a crucial step for ITER and a Fusion Pilot Plant or DEMO. Experiments in DIII-D recently expanded the steady-state hybrid scenario to high density and divertor impurity injection to study the feasibility of a radiating mantle solution. This work presents the physics basis for trade-offs between density, current drive and stability to tearing modes (TMs) at high β. EC power is crucial to tailor the plasma profiles into a passively stable state, and to eject impurities from the core. Off-axis EC depositions decrease the heating efficiency, but calculated electron heat transport coefficients show that this effect is partially mitigated by improved confinement inside the EC deposition. Additionally, the reduction in pressure is recovered by increasing the density. This favourable scaling of confinement with density was observed in high power plasmas for years, and this work provides a comprehensive explanation. ELITE predictions indicate that a path in peeling-ballooning stability opens up for certain conditions of density, power, q 95 and shaping, allowing the edge pressure to continue increasing without encountering a limit. In the core, calculated anomalous fast-ion diffusion coefficients are consistent with density fluctuation measurements in the toroidicity-induced Alfvén eigenmode range, showing that smaller fast-ion losses contribute to the enhanced confinement at high density. The edge integration study shows that divertor heat loads can be reduced with Ne and Ar injection, but this eventually triggers a cascade of n = 1, 2, 3 core TMs. We can now show that impurity radiation in the core is small and it is not the cause for the drop in confinement at high Ar and Ne injection rates. The overlap between the core TMs is consistent with the loss of pressure as estimated by the Belt model for the coupled rational surfaces. Optimization of these trade-offs has achieved plasmas with sustained H 98y2 = 1.7, f GW = 0.7 and ∼85% mantle radiation. The scenario and its variations at higher density and on- vs off-axis EC heating has been studied as a candidate for an integrated solution for several reactor designs, such as ITER, ARC, and the ARIES-ACT1 case, showing promising results in terms of fusion power and gain.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Blockchain Application Within a Multi-Sensor Satellite Architecture

With the thrust towards multi-sensor satellite architectures for earth and space exploration, such as constellations and swarms, new technologies are required to enable the transition to this future capability. One of the areas of interest is establishing secure, efficient and prioritized data and command communication pathways among ground and space-based sources for such systems. This paper presents early research results on the potential role, capabilities and value of blockchain usage within constellation and swarm satellite architectures. It demonstrates the use of blockchain's smart contract and distributed ledger capabilities for secure and prioritized multi-sensor satellite collaborative data exchanges, as well as the logging and tracking of command and control events. Adapting and utilizing this emerging technology will aid in addressing technology gaps expected from future constellation flight architectures, such as managing collective computational operations (correlation), dynamic and autonomous observation planning, time-critical events, and provenance tied to ground and space-based autonomous operations and control recordkeeping. In this scenario blockchain is applied in encrypted command transmittal to multiple, yet specific, entities enabling acknowledgement transmittals, performance scalability, and automatic event-based triggering.

Mital, Rohit↗

The high level trigger and express data production at STAR

To meet the demands of the Beam Energy Scan phase-II (BES-II) program, the STAR experiment at the Relativistic Heavy Ion Collider (RHIC) developed a dual real-time framework consisting of a High Level Trigger (HLT) and an Express Data Production system (xProduction). The HLT operates online within the Data Acquisition (DAQ) chain on a dedicated multi-core CPU cluster with the option to offload compute-intensive kernels to Xeon Phi coprocessors. It uses parallelized algorithms, such as the Cellular Automaton (CA) Track Finder, to perform rapid tracking, vertexing, and event filtering. This allows it to select events of interest in real time and provide immediate feedback on detector and beam conditions. In contrast, the xProduction workflow runs concurrently and independently of the DAQ loop. It applies near offline-quality calibration and reconstruction within hours of data collection. The xProduction input is the express data stream, whose content can be enriched by HLT trigger/priority selections under DAQ/HLT resource constraints, and it uses the STAR calibration/conditions framework, incorporating online calibration/QA information when available. This enables early preliminary physics analysis, including the reconstruction of rare signals, such as hyperons and hypernuclei. It also provides collaboration-wide access to analysis-ready datasets. Together, the HLT and xProduction systems form a complementary architecture: the HLT performs online event selection while the xProduction chain delivers high-quality results within a short amount of time. This integrated framework has enabled the prompt reconstruction of the $^5_Λ$ He hypernucleus with high statistical significance and the efficient processing of hundreds of millions of heavy-ion collision events. In conclusion, its demonstrated scalability and robustness establish a model for future high-luminosity experiments requiring both online event filtering and rapid access to analysis-quality data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Cosmological moduli and non-perturbative production of axions

Cosmological moduli generically come to dominate the energy density of the early universe, and thereby trigger an early matter dominated era. Such non-standard cosmological histories are expected to have profound effects on the evolution and production of axion cold dark matter and dark radiation, as well as their prospects for detection. We consider moduli-axion couplings and investigate the early history of the coupled system, considering closely the evolution of the homogeneous modulus field, the back-reaction from the axion, and the energy densities of the two fields. A particular point of interest is the enhancement of axion production from modulus decay, due to tachyonic and parametric resonant instabilities, and the implications of such production on the cosmological moduli problem, axion dark radiation, and the available parameter space for axion dark matter. Using an effective field theory approach, WKB-based semi-analytical analysis, and detailed numerical estimates of the co-evolution of the system, we evaluate the expected decay efficiency of the modulus to axions. The effects of higher-order operators are studied and implications for UV-complete frameworks such as the Large Volume Scenarios in Type IIB string theory are considered in detail.

Axions and ALPs↗