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At least 865 records · Page 48

Singlet Fission

This report summarizes key findings from DOE Award DE‑SC0007004 – Singlet Fission, documenting more than a decade of research led by Professor Josef Michl. The project advanced foundational understanding of singlet fission (SF) through integrated synthetic, spectroscopic, crystallographic, and computational studies. Across a diverse set of chromophores—including tetracenes, cibalackrot derivatives, BODIPY dimers, TDPPs, and fluorinated isobenzofurans—the team identified structural and packing features that enable or inhibit SF, clarified the roles of charge‑transfer intermediates and excimer formation, and developed simplified theoretical models and computational screening tools for predicting optimal geometries and excited‑state-energetics. The work significantly broadened design principles for SF‑active materials and provided insights relevant to next‑generation solar energy conversion and molecular photophysics.

14 SOLAR ENERGY↗

Progress toward differential cross-section measurements of coherent charged-pion production in charged-current muon neutrino interactions on argon with SBND

Coherent charged pion production in charged-current muon neutrino–nucleus interactions provides a clean experimental signature and enables an excellent estimate of the neutrino energy, making it particularly valuable for neutrino flux constraints and oscillation analyses in future long-baseline experiments. Despite its importance, theoretical modeling of this process remains challenging, especially in the low-energy region below 1 GeV and its dependence on the nuclear target. The Short-Baseline Near Detector (SBND) offers a unique opportunity to study coherent charged pion production using neutrinos in the few-hundred-MeV energy range from the Booster Neutrino Beam (BNB) interacting with an argon target (A = 40), with unprecedented statistics expected to yield approximately three thousand signal events in SBND’s BNB data with 3.5 x 10^20 protons on target. This analysis aims to achieve the first differential cross-section measurement of charged-current coherent charged pion production on argon, as well as the first measurement of this process using BNB neutrinos.

Oh, Sungbin [Fermilab]↗

Investigating Interference Term in DUNE & SBND Neutrino Interactions with ACHILLES

Understanding neutrino oscillations can help us answer some of the universe’s most fundamental questions like: Why is there more matter than antimatter? Neutrino-nucleus cross-sections (probability of neutrino interactions with nuclei) are a leading uncertainty in the measurements of neutrino oscillations. To meaningfully determine scattering parameters, measurements must be supported by robust theoretical modeling, which can be provided via event generators. In this poster, we use ACHILLES to investigate the interference term of neutrino interactions with both DUNE-ND and SBND flux configurations [1] [2]. The interference term is the quantum amplitude interference resulting from 1p1h or 2p2h neutrino-nucleon interactions, and isn't modeled in current industry standard event generators.

Serumaga, Peera [UC, San Diego (main); Fermilab]↗

Game-Theoretic Approach for Grace-Period Policy in Supercomputers

Job scheduling at supercomputing facilities is important for achieving high utilization of these valuable resources while ensuring effective execution of jobs submitted by users. The jobs are scheduled according to their specified resource demands such as expected job completion times, and the available resources based on allocations. Jobs that overrun their allocated times are terminated, for example, after a grace-period. It is non-trivial and often very complex for users to accurately estimate the completion times of their jobs, and consequently they face a dilemma: underestimate the job time to have a higher priority and risk job termination due to overrun, or overestimate it to ensure its completion and risk its delayed execution. In this paper, we investigate whether providing grace-period can benefit facility performance by developing a game- theoretic model between a facility provider and multiple users for a simplified scheduling scenario based on job execution times. We present closed-form expressions for the provider’s and user’s best-response strategies to maximize their respective utility functions. We describe conditions under which offering a grace-period is advantageous to both facility provider and users by deriving the Nash equilibrium of the game.

He, Fei↗

Measurement of the Photon Beam Asymmetry in yP -> K+S0 at Ey=8.5 GeV with GlueX

In this work the photon beam asymmetry Sigma for the reaction yp ? K+S0 (1193) is measured using the GlueX experiment in Hall D at Jefferson Lab. The analysis used data that were collected using a linearly polarized photon beam in the energy range (8.2 - 8.8) GeV incident on a liquid hydrogen target. The beam asymmetries are measured as a function of the Mandelstam variable t and as a single value for the low u region. These are the first exclusive measurements of the photon beam asymmetry Sigma in this reaction at energies above the baryon resonance region. For the t-channel, results are close to unity and show that the reaction is dominated by the natural-parity exchange of the K? (892) Regge trajectory as predicted by theoretical models. A value of Sigma = 0.410±0.090 is obtained for the u-channel and suggests the exchange of both Sigma(J = 1/2) and Y*(J = 3/2) trajectory contributions to the production of K+S0.

Wickramaarachchi, Nilanga↗

Shedding Light on Primary Donors in Photosynthetic Reaction Centers

Chlorophylls (Chl)s exist in a variety of flavors and are ubiquitous in both the energy and electron transfer processes of photosynthesis. The functions they perform often occur on the ultrafast (fs–ns) time scale and until recently, these have been difficult to measure in real time. Further, the complexity of the binding pockets and the resulting protein-matrix effects that alter the respective electronic properties have rendered theoretical modeling of these states difficult. Recent advances in experimental methodology, computational modeling, and emergence of new reaction center (RC) structures have renewed interest in these processes and allowed researchers to elucidate previously ambiguous functions of Chls and related pheophytins. This is complemented by a wealth of experimental data obtained from decades of prior research. Studying the electronic properties of Chl molecules has advanced our understanding of both the nature of the primary charge separation and subsequent electron transfer processes of RCs. In this review, we examine the structures of primary electron donors in Type I and Type II RCs in relation to the vast body of spectroscopic research that has been performed on them to date. Further, we present density functional theory calculations on each oxidized primary donor to study both their electronic properties and our ability to model experimental spectroscopic data. This allows us to directly compare the electronic properties of hetero- and homodimeric RCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Laser-driven production with advanced targets of Copper-64 for medical applications

Radionuclides are of paramount importance in nuclear medicine both for clinical uses and radiopharmaceutical production. Among the others, nuclides suitable for theranostics like Copper-64 are particularly attractive since they can play both a diagnostic and therapeutic role. In the last years, the growing demand for these nuclides stimulated the research of new solutions, along with cyclotrons already in use, for their production. In this respect, a promising alternative is laser-driven proton accelerators based on the interaction of superintense laser pulses with target materials. Because of their potential compactness and flexibility, they are under investigation for several applications ranging from materials science to nuclear medicine. Moreover, the use of advanced Double-Layer targets (DLTs) was identified as a viable route to increase the number and energy of the accelerated protons to satisfy the requirements of demanding applications. In this contribution, we numerically investigate the use of DLT-based laser-driven sources for Copper-64 production. We show that activities relevant to pre-clinical studies can be achieved with an existing 150 TW laser and DLTs. Moreover, we extend the discussion by considering a broad range of laser systems by exploiting a theoretical model. Our results can guide the choice of laser and target parameters for future experimental investigations.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

The Effect of Acceleration on the Separation Force in Constrained-Surface Stereolithography

Constrained-surface-based stereolithography has recently attracted much attention from both academic and industrial communities. Despite numerous experimental, numerical and theoretical efforts, the fundamental need to reduce the separation force between the newly cured part and constrained surface has not yet been completely solved. In this paper, we develop a fluid dynamics approach, proposed in our previous work, to theoretically model the separation force in 3D printing of a cylindrical part for flat and patterned windows. We demonstrate the possibility of separation force reduction with an accelerated movement of the printing platform. In particular, we investigate behaviors of transient parameter, its reduction rate, and separation force reduction with respect to elevation speed and time. The proposed approach involves deceleration and acceleration stages and allows to achieve the force reduction for the entire printing process. Finally, we provide implicit analytical solutions for time moments when switching between the stages can be done without noticeable increase of separation force and explicit expression for separation force in case of patterned window.

Gritsenko, Dmitry (ORCID:0000000248181512)↗

In Situ Investigation of Upper Airway Occlusion in Sleep Disordered Breathing Using Ultrasonic Transducer Arrays

This work presents a novel application of ultrasound for the real-time, non-invasive investigation of occlusion of the upper airway during events of obstructive sleep apnea/hypopnea syndrome. It is hypothesized that ultrasonic pulses applied to the neck during apneic events produce spectral and temporal features that can detect apnea occurrence. Theoretical models of ultrasound propagation and an in vitro test were conducted to test this hypothesis in both transmission and reflection modes. Complete specifications and technical details of the system design and fabrication, which is mounted on each subject’s neck, are presented, including the methodology. Nine patients (seven male and two female, mean age of 42 years, with a range of 25 to 56 years, and body mass index 37.6 ± 6.6 kg/m2) were recruited for a full night study, which included simultaneous nocturnal polysomnography for the validation of the results. Nine temporal features and four spectral features were extracted from the envelope of the received pulse waveform. These were used to compute 26 metrics to quantify the changes in the ultrasonic waveforms between normal breathing and apneic events. The statistical analysis of the collected ultrasonic data showed that at least two or more of the proposed features could detect apneic events in all subjects. The findings establish the feasibility of the proposed method as a cost-effective and non-invasive OSAHS screening tool.

60 APPLIED LIFE SCIENCES↗

Temperature Dependence of Structural Relaxation in Glass-Forming Liquids and Polymers

Understanding the microscopic mechanism of the transition of glass remains one of the most challenging topics in Condensed Matter Physics. What controls the sharp slowing down of molecular motion upon approaching the glass transition temperature T g , whether there is an underlying thermodynamic transition at some finite temperature below T g , what the role of cooperativity and heterogeneity are, and many other questions continue to be topics of active discussions. This review focuses on the mechanisms that control the steepness of the temperature dependence of structural relaxation (fragility) in glass-forming liquids. We present a brief overview of the basic theoretical models and their experimental tests, analyzing their predictions for fragility and emphasizing the successes and failures of the models. Special attention is focused on the connection of fast dynamics on picosecond time scales to the behavior of structural relaxation on much longer time scales. A separate section discusses the specific case of polymeric glass-forming liquids, which usually have extremely high fragility. We emphasize the apparent difference between the glass transitions in polymers and small molecules. We also discuss the possible role of quantum effects in the glass transition of light molecules and highlight the recent discovery of the unusually low fragility of water. At the end, we formulate the major challenges and questions remaining in this field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electrothermally Driven Reconfiguration of Microrobotic Beam Structures for the ChipSail System

Solar sailing enables efficient propellant-free attitude adjustment and orbital maneuvers of solar sail spacecraft with high area-to-mass ratios. However, the heavy supporting mass for large solar sails inevitably leads to low area-to-mass ratios. Inspired by chip-scale satellites, a chip-scale solar sail system named ChipSail, consisting of microrobotic solar sails and a chip-scale satellite, was proposed in this work. The structural design and reconfigurable mechanisms of an electrothermally driven microrobotic solar sail made of Al\Ni 50 Ti 50 bilayer beams were introduced, and the theoretical model of its electro-thermo-mechanical behaviors was established. The analytical solutions to the out-of-plane deformation of the solar sail structure appeared to be in good agreement with the finite element analysis (FEA) results. A representative prototype of such solar sail structures was fabricated on silicon wafers using surface and bulk microfabrication, followed by an in-situ experiment of its reconfigurable property under controlled electrothermal actuation. The experimental results demonstrated significant electro-thermo-mechanical deformation of such microrobotic bilayer solar sails, showing great potential in the development of the ChipSail system. Analytical solutions to the electro-thermo-mechanical model, as well as the fabrication process and characterization techniques, provided a rapid performance evaluation and optimization of such microrobotic bilayer solar sails for the ChipSail.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Effect of Random Nanostructured Metallic Environments on Spontaneous Emission of HITC Dye

We have studied emission kinetics of HITC laser dye on top of glass, smooth Au films, and randomly structured porous Au nanofoams. The observed concentration quenching of luminescence of highly concentrated dye on top of glass (energy transfer to acceptors) and the inhibition of the concentration quenching in vicinity of smooth Au films were in accord with our recent findings. Intriguingly, the emission kinetics recorded in different local spots of the Au nanofoam samples had a spread of the decay rates, which was large at low dye concentrations and became narrower with increase of the dye concentration. We infer that in different subvolumes of Au nanofoams, HITC molecules are coupled to the nanofoams weaker or stronger. The inhibition of the concentration quenching in Au nanofoams was stronger than on top of smooth Au films. This was true for all weakly and strongly coupled subvolumes contributing to the spread of the emission kinetics. The experimental observations were explained using theoretical model accounting for change in the Förster radius caused by the strong energy transfer to metal.

36 MATERIALS SCIENCE↗

Quantum Choreography of the Nucleus: Rotations, Vibrations, and Emergent Structure

Abstract Nuclei are complex many-body quantum systems where interactions of the neutrons and protons via the strong, the weak, and the electromagnetic forces lead to the emergence of simple patterns of energy states that have been described by various theoretical approaches. One of the goals of all the theoretical models is the development of a universal theory that can be applied across the entire chart of nuclides. Significant progress has been made by experiments as well as the increasing sophistication of models, but a universal theory has yet to be established. A recent review of nuclei in the Z = 50–82 region of the chart of nuclides has analyzed all the available compiled data from several decades of studies towards a clarification of the low-lying structure of nuclei. Other reviews have reported and explained the emergence of multiple different shapes in nuclei at somewhat higher excitation energies than the ground state. Some have challenged the interpretation of the first excited K π = 0 + band as a vibration of ground state. This work attempts to provide a guide to determining the nature of the first excited K π = 0 + band in nuclei by the combined use of nuclear lifetimes, energy level evolutions, dynamic moments of inertia, and intrinsic quadrupole moments extracted from transition probabilities. The result is that for a subset of the nuclei in this region, the K π = 0 + band is consistent with the traditional 𝛽-vibration description of an oscillation built on the ground state.

CHFB+5DCH↗

Heavy Flavor Physics at the sPHENIX Experiment

The sPHENIX experiment is a state-of-the-art jet and heavy flavor physics detector, which successfully recorded its first Au + Au collision data at 200 GeV at the Relativistic Heavy Ion Collider (RHIC). sPHENIX will provide heavy flavor physics measurements at RHIC, covering an unexplored kinematic region and unprecedented precision, to probe the parton energy loss mechanism, parton transport coefficients in quark–gluon plasma, and the hadronization process under various medium conditions. At the center of sPHENIX, the monolithic active pixel sensor (MAPS)-based VerTeX detector (MVTX) is a high-precision silicon pixel detector. The MVTX provides excellent position resolution and the capability of operating in continuous streaming readout mode, allowing precise vertex determination and recording a large data sample, both of which are particularly crucial for heavy flavor physics measurements. In this work, we will show the general performance of heavy-flavor hadron reconstruction. In addition, we will discuss the commissioning experience with sPHENIX. Finally, we will provide the projection of b-hadron and jet observables and discuss the estimated constraints on theoretical models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Properties of Hot Nuclear Matter

A fully quantitative description of the equilibrium and dynamical properties of hot nuclear matter will be needed for the interpretation of the available and forthcoming astrophysical data, providing information on the post-merger phase of a neutron star coalescence. We discuss the results of a recently developed theoretical model, based on a phenomenological nuclear Hamiltonian including two- and three-nucleon potentials, to study the temperature dependence of average and single-particle properties of nuclear matter relevant to astrophysical applications. The potential of the proposed approach for describing dissipative processes leading to the appearance of bulk viscosity in neutron star matter is also outlined.

79 ASTRONOMY AND ASTROPHYSICS↗

Confrontation of Observation and Theory: High-frequency QPOs in X-Ray Binaries, Tidal Disruption Events, and Active Galactic Nuclei

In this paper, we compile observations of high-frequency quasi-periodic oscillations (QPOs) around black holes, both stellar and supermassive, and compare their positions in the parameter space of black hole mass, spin, and oscillation frequency. We find that supermassive black holes occupy a separate region of parameter space than stellar, and further, that QPOs seen around tidal disruption events rather than Seyfert-type active galactic nuclei (AGN) occupy an entirely different space. We then compare these results to the orbital resonance, diskoseismic, warped disk, and disk–jet coupling theoretical models for the origin of high-frequency QPOs. We find that while oscillations around stellar mass black holes are generally consistent with the above models, supermassive black holes are decidedly not. Oscillations seen in tidal disruption events are consistent with oscillations near the frequency of the innermost stable circular orbit, while QPOs in AGN are not accounted for by any of the physical models in consideration. This indicates that despite the scale invariance of accretion processes implied by a decades-wide correlation between QPO frequency and black hole mass, any theory of high-frequency QPOs must relate the frequency to more than just the mass and spin.

79 ASTRONOMY AND ASTROPHYSICS↗

Laboratory Study of the Torus Instability Threshold in Solar-relevant, Line-tied Magnetic Flux Ropes

Coronal mass ejections (CMEs) occur when long-lived magnetic flux ropes (MFRs) anchored to the solar surface destabilize and erupt away from the Sun. This destabilization is often described in terms of an ideal magnetohydrodynamic instability called the torus instability. It occurs when the external magnetic field decreases sufficiently fast such that its decay index, ${n}_{}=-z\,\partial (\mathrm{ln}{B}_{})/\partial z$, is larger than a critical value, $n\gt {n}_{\mathrm{cr}}^{}$, where ${n}_{\mathrm{cr}}^{}=1.5$ for a full, large aspect ratio torus. However, when this is applied to solar MFRs, a range of conflicting values for ${n}_{\mathrm{cr}}^{}$ is found in the literature. To investigate this discrepancy, we have conducted laboratory experiments on arched, line-tied flux ropes and applied a theoretical model of the torus instability. Our model describes an MFR as a partial torus with foot points anchored in a conducting surface and numerically calculates various magnetic forces on it. This calculation yields better predictions of ${n}_{\mathrm{cr}}^{}$ that take into account the specific parameters of the MFR. Here, we describe a systematic methodology to properly translate laboratory results to their solar counterparts, provided that the MFRs have a sufficiently small edge safety factor or, equivalently, a large enough twist. After this translation, our model predicts that ${n}_{\mathrm{cr}}^{}$ in solar conditions falls near ${n}_{\mathrm{cr}}^{\mathrm{solar}}\sim 0.9$ and within a larger range of ${n}_{\mathrm{cr}}^{\mathrm{solar}}\sim (0.7,1.2)$, depending on the parameters. The methodology of translating laboratory MFRs to their solar counterparts enables quantitative investigations of CME initiation through laboratory experiments. These experiments allow for new physics insights that are required for better predictions of space weather events but are difficult to obtain otherwise.

79 ASTRONOMY AND ASTROPHYSICS↗

The Variability of the Black Hole Image in M87 at the Dynamical Timescale

The black hole images obtained with the Event Horizon Telescope (EHT) are expected to be variable at the dynamical timescale near their horizons. For the black hole at the center of the M87 galaxy, this timescale (5–61 days) is comparable to the 6 day extent of the 2017 EHT observations. Closure phases along baseline triangles are robust interferometric observables that are sensitive to the expected structural changes of the images but are free of station-based atmospheric and instrumental errors. We explored the day-to-day variability in closure-phase measurements on all six linearly independent nontrivial baseline triangles that can be formed from the 2017 observations. We showed that three triangles exhibit very low day-to-day variability, with a dispersion of ∼3°–5°. The only triangles that exhibit substantially higher variability (∼90°–180°) are the ones with baselines that cross the visibility amplitude minima on the u–v plane, as expected from theoretical modeling. We used two sets of general relativistic magnetohydrodynamic simulations to explore the dependence of the predicted variability on various black hole and accretion-flow parameters. We found that changing the magnetic field configuration, electron temperature model, or black hole spin has a marginal effect on the model consistency with the observed level of variability. On the other hand, the most discriminating image characteristic of models is the fractional width of the bright ring of emission. Models that best reproduce the observed small level of variability are characterized by thin ring-like images with structures dominated by gravitational lensing effects and thus least affected by turbulence in the accreting plasmas.

79 ASTRONOMY AND ASTROPHYSICS↗