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At least 1,117 records · Page 62

Accelerating the Structure Exploration of Diverse Bi–Pt Nanoclusters via Physics‐Informed Machine Learning Potential and Particle Swarm Optimization

Bimetallic Bi–Pt nanoclusters exhibit diverse structural motifs, including core-shell, Janus, and mixed alloy configurations, due to the unique bonding characteristics between Bi and Pt atoms. Using density functional theory refinements from ChIMES physically machine-learned potential and CALYPSO particle swarm optimization global searches, 34 Bi20-Pt20 nanoclusters are systematically classified. The results reveal that Bi atoms predominantly occupy surface sites, driven by charge transfer effects. Cohesive energy trends alone prove insufficient for structure differentiation, necessitating a data-driven approach employing principal component analysis and K-means clustering. Furthermore, vibrational, electronic, and infrared spectral analyses provide additional insights into structure-property relationships. The findings offer an original framework for the automated classification and analysis of bimetallic nanoclusters, enhancing the understanding of their stability and functional properties.

bimetallic nanoparticles↗

Charged particle track reconstruction with SπRIT Time Projection Chamber

In this work, we present a software framework, SπRITROOT, which is capable of track reconstruction and analysis of heavy-ion collision events recorded with the SRIT time projection chamber. The track-fitting toolkit GENFIT and the vertex reconstruction toolkit RAVE are applied to a box-type detector system. A pattern recognition algorithm which performs helix track finding and handles overlapping pulses is described. The performance of the software is investigated using experimental data obtained at the Radioactive Isotope Beam Facility (RIBF) at RIKEN. This work focuses on data from 132 Sn + 124 Sn collision events with beam energy of 270 AMeV. Particle identification is established using < dE/dx >and magnetic rigidity, with pions, hydrogen isotopes, and helium isotopes.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Software Aids Visualization of Computed Unsteady Flow

Unsteady Flow Analysis Toolkit (UFAT) is a computer program that synthesizes motions of time-dependent flows represented by very large sets of data generated in computational fluid dynamics simulations. Prior to the development of UFAT, it was necessary to rely on static, single-snapshot depictions of time-dependent flows generated by flow-visualization software designed for steady flows. Whereas it typically takes weeks to analyze the results of a largescale unsteady-flow simulation by use of steady-flow visualization software, the analysis time is reduced to hours when UFAT is used. UFAT can be used to generate graphical objects of flow visualization results using multi-block curvilinear grids in the format of a previously developed NASA data-visualization program, PLOT3D. These graphical objects can be rendered using FAST, another popular flow visualization software developed at NASA. Flow-visualization techniques that can be exploited by use of UFAT include time-dependent tracking of particles, detection of vortex cores, extractions of stream ribbons and surfaces, and tetrahedral decomposition for optimal particle tracking. Unique computational features of UFAT include capabilities for automatic (batch) processing, restart, memory mapping, and parallel processing. These capabilities significantly reduce analysis time and storage requirements, relative to those of prior flow-visualization software. UFAT can be executed on a variety of supercomputers.

Kao, David↗

Snowmass Letter of Interest - Analysis Facilities - CompF5

In this letter, we comment on the “last mile” for computing in support of physics analyses; this does not cover simulation/acquisition, batch processing/production/reconstruction, and data reduction. Specifically, we focus on analysis facilities, which provide the foundation for the individual researcher to experiment with and understand their data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Three-Flavor Neutrino Oscillations at NOvA

NOvA, is a two-detector, long-baseline neutrino oscillation experiment located at Fermilab, Batavia, IL, USA. It is designed primarily to constrain neutrino oscillation parameters such as the atmospheric mass squared splitting, $\Delta m^2_{32}$, the mixing angle, $\theta_{23}$, neutrino mass hierachy, and the CP-violating phase, $\delta_{CP}$, using $\nu_\mu \ (\bar{\nu}_\mu)$ disappearance and $\nu_e \ (\bar{\nu}_e)$ appearance data. NOvA receives a high purity 900 KW instense beam of neutrinos and anti-neutrinos from Fermilab's Neutrinos at Main Injector (NuMI) beamline. NOvA used functionally identical finely granulated liquid scintillation detectors, both situated 14.6 mrad off-axis to the beam direction. The NOvA near detector observes un-oscillated $\nu_\mu \ (\bar{\nu}_\mu)$ and beam $\nu_e \ (\bar{\nu}_e)$ events, while the far detector, which is situated 809 km away from the near detector, records un-oscillated $\nu_\mu \ (\bar{\nu}_\mu)$ and oscillated $\nu_e \ (\bar{\nu}_e)$ events. We will discuss the neutrino oscillation analysis strategy at NOvA and the latest three-flavor oscillation results from 10 years of NOvA data in this talk.

43 PARTICLE ACCELERATORS↗

Magnetic Field Determination for Run 1 of the Fermilab Muon $g-2$ Experiment

The muon $g-2$ experiment at Fermilab aims to measure the anomalous magnetic moment of the muon, $a_{\mu}$, to a precision of 140 parts per billion (ppb). The measurement will shed light on the current $>$3$\sigma$ deviation between Standard Model calculations and the previous measurement made at Brookhaven National Laboratory, either resolving the discrepancy or confirming it to $>$5$\sigma$. In the muon $g-2$ experiment, muons are stored in a magnetic storage ring and their decays are observed. In order to reach the precision goal, the magnetic field experienced by the muons must be known with an uncertainty of \SI{70}{ppb} or less. To this end, the magnetic field was shimmed to unprecedented homogeneity. Two measurement systems are used to track the evolution of the magnetic field. This dissertation describes the motivations for the $g-2$ experiment, gives a brief overview of the experimental principles, introduces the magnetic field measurement hardware, describes the magnetic field shimming process, and presents an analysis of the magnetic field tracking for data collected in spring 2018 during run 1 of the Fermilab muon $g-2$ experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Operational Aspects of Space Radiation Analysis

Minimizing astronaut's short and long-term medical risks arising from exposure to ionizing radiation during space missions is a major concern for NASA's manned spaceflight program, particularly exploration missions. For ethical and legal reasons, NASA follows the "as low as reasonably achievable" (ALARA) principal in managing astronaut's radiation exposures. One implementation of ALARA is the response to space weather events. Of particular concern are energetic solar particle events, and in low Earth orbit (LEO), electron belt enhancements. To properly respond to these events, NASA's Space Radiation Analysis Group (SRAG), in partnership with the NOAA Space Environment Center (SEC), provides continuous flight support during U.S. manned missions. In this partnership, SEC compiles space weather data from numerous ground and space based assets and makes it available in near real-time to SRAG (along with alerts and forecasts), who in turn uses these data as input to models to calculate estimates of the resulting exposure to astronauts. These calculations and vehicle instrument data form the basis for real-time recommendations to flight management. It is also important to implement ALARA during the design phase. In order to appropriately weigh the risks associated with various shielding and vehicle configuration concepts, the expected environment must be adequately characterized for nominal and worst case scenarios for that portion of the solar cycle and point in space. Even with the best shielding concepts and materials in place (unlikely), there will be numerous occasions where the crew is at greater risk due to being in a lower shielded environment (short term transit or lower shielded vehicles, EVAs), so that accurate space weather forecasts and nowcasts, of particles at the relevant energies, will be crucial to protecting crew health and safety.

Weyland, M. D.↗

Discriminating Type 1a and 1b PSCs in Satellite Data

We explore the use of satellite observations in discriminating types of PSCs and their ramifications. Polar Stratospheric Clouds (PSCs), which form in the winter polar vortex, have been identified as effecting ozone loss. One major result from the recent SOLVE mission is in-situ evidence of the existence of very large particles that contain nitric acid. These particles are consistent with Type la PSCs. The significance of this finding is that these large particles will have appreciable sedimentation velocities, taking nitric acid out of the stratospheric regions, causing denitrification. Since nitric acid typically mitigates ozone loss, denitrification leads to increased ozone loss. Type lb PSCs are smaller and do not sediment to any appreciable degree. Satellite measurements are made continuously throughout the winter, and offer more global coverage than in situ measurements. Thus, it would very useful to be able to discriminate PSC types from satellite measurements. Our long-term goals are to better understand the formation mechanisms and effects of PSCs. Discriminating PSC type using satellite data will give us a very important tool in this effort. A multi-wavelength analysis of POAM aerosol extinction during SOLVE has revealed differences in the radiative characteristics of PSC events. We explore the use of POAM observations to discriminate between Type la and lb Pscs. A trajectory model is used to simulate PSC la and lb particles. Calculated radiative properties act as a guide for discriminating the satellite occultation measurements. Aircraft based PSC observations are-used as confirmation of these observations.

Strawa, Anthony W.↗

Fermilab Italian Student Program (Final Report)

I participated to the 2019 Fermilab Italian Student Program under the supervision of Anadi Canepa and Lorenzo Uplegger. I worked with the Fermilab research group that is involved with the R&D of the CMS Outer Tracker. The Compact Muon Solenoid (CMS) is a a general-purpose detector located at the Large Hadron Collider (LHC), the world's most powerful particle accelerator. In the next years LHC will undergo the High-Luminosity LHC upgrade, which will bring its luminosity from 1 × 10 34 cm -2 s -1 to 1.5 × 10 34 cm -2 s -1 . This increase in luminosity will require an upgrade of CMS as well, in order to comply with the augmented rate of particles which will cross the detector. The CMS tracker is a detector, composed of various modules made of silicon pixel trackers and silicon strip trackers, whose aim is to reconstruct the trajectories of the particles produced by the collisions in LHC. The tracker is ideally divided in Inner Tracker and Outer Tracker. The HL-LHC upgrade put important challenges in the designing of the tracker. It will have to withstand the irradiation of a large fluence of particles, without suffering a too severe deterioration of its performance. In addition to this, in order to comply with the increased rate of events that CMS will need to detect, the tracker will be exploited for triggering at the fully hardware Level 1 Trigger, in contrast to the current tracker, whose data are only used for the software High-Level Trigger. This feature is managed by the "stub logic", which will be explained in chapter 2. During the months of August and September at Fermilab I carried out the data analysis of three test beam runs performed in the last two years on the 2S Outer Tracker Minimules. The 2S Minimoule consists of two silicon strip trackers placed one upon the other with the strips kept parallel.

43 PARTICLE ACCELERATORS↗

Cloud Overlapping Detection Algorithm Using Solar and IR Wavelengths with GOES Data Over ARM/SGP Site

One of the most perplexing problems in satellite cloud remote sensing is the overlapping of cloud layers. Although most techniques assume a one layer cloud system in a given retrieval of cloud properties, many observations are affected by radiation from more than one cloud layer. As such, cloud overlap can cause errors in the retrieval of many properties including cloud height, optical depth, phase, and particle size. A variety of methods have been developed to identify overlapped clouds in a given satellite imager pixel. Baum et al used CO2 slicing and a spatial coherence method to demonstrate a possible analysis method for nighttime detection of multilayered clouds. Jin and Rossow also used a multispectral CO2 slicing technique for a global analysis of overlapped cloud amount. Lin et al. used a combination infrared (IR), visible (VIS), and microwave data to detect overlapped clouds over water. Recently, Baum and Spinhirne proposed a 1.6 and 11 micron bispectral threshold method. While all of these methods have made progress in solving this stubborn problem none have yet proven satisfactory for continuous and consistent monitoring of multilayer cloud systems. It is clear that detection of overlapping clouds from passive instruments such as satellite radiometers is in an immature stage of development and requires additional research. Overlapped cloud systems also affect the retrievals of cloud properties over the Atmospheric Radiation Measurement (ARM) domains and hence should be identified as accurately as possible. To reach this goal, it is necessary to determine which information can be exploited for detecting multilayered clouds from operational meteorological satellite data used by ARM. This paper examines the potential information available in spectral data available on the Geostationary Operational Environmental Satellite (GOES) imager and the National Oceanic Atmospheric Administration (NOAA) Advanced Very High Resolution Radiometer (AVHRR) used over the ARM Program's Southern Great Plains (SGP), and North Slope of Alaska (NSA) sites to study the capability of detecting overlapping clouds.

Kawamoto, K.↗

Immunofluorescent Detection of DNA Double Strand Breaks induced by High-LET Radiation

Within cell nuclei, traversing charged heavy ion particles lead to the accumulation of proteins related to DNA lesions and repair along the ion trajectories. Irradiation using a standard geometric setup with the beam path perpendicular to the cell monolayer generates discrete foci of several proteins known to localize at sites of DNA double strand breaks (DSBs). One such molecule is the histone protein H2AX (gamma-H2AX), which gets rapidly phosphorylated in response to ionizing radiation. Here we present data obtained with a modified irradiation geometry characterized by a beam path parallel to a monolayer of human fibroblast cells. This new irradiation geometry leads to the formation of gamma-H2AX aggregates in the shape of streaks stretching over several micrometers in the x/y plane, thus enabling the analysis of the fluorescence distributions along the particle trajectories. Qualitative analysis of these distributions presented insights into the DNA repair kinetics along the primary track structure and visualization of possible chromatin movement. We also present evidence of colocalization of gamma-H2AX with several other proteins in responses to ionizing radiation exposure. Analysis of gamma-H2AX has the potential to provide useful information on human cell responses to high LET radiation after exposure to space-like radiation.

Cucinotta, Francis A.↗

Utilization of the LS-APGD microplasma/orbitrap-FTMS booster system for detection and isotopic analysis of neodymium nanoparticles

Detection and isotopic analysis of particle populations has seen rapid growth across several application areas, including environmental analysis, nuclear forensics, and food safety. The ability to characterize the particles' unique elemental and isotopic fingerprints could provide information related to formation, processing history, and transport. Regarding nuclear forensics, isotopic analysis of particles derived from diverse materials is often used as a tool to trace the origin and processing history. Mass spectrometric-based techniques currently used for particle population analysis often suffer from limited mass resolution, particularly when dealing with real-world samples that are affected by isobaric and polyatomic interferences from the matrix. To address these analytical challenges, we propose a novel method utilizing the liquid sampling-atmospheric pressure glow discharge (LS-APGD) microplasma ionization source coupled to an ultrahigh resolution Orbitrap mass spectrometer, further enhanced with the FTMS X2T Booster data acquisition and processing unit. The FTMS Booster enables acquisition of extended transient times of up to 3 s, significantly improving mass resolution, thereby reducing or even eliminating the need for prior separation of isobaric or polyatomic interferences. Additionally, the detection of low-abundance isotopes was improved by increasing the signal-to-noise (S/N) ratio. As proof of concept, this study demonstrates the feasibility of the LS-APGD/Orbitrap-FTMS X2T Booster platform for direct analysis using a suspension of well-characterized ∼120 nm neodymium particles. The quality of the isotope ratios values obtained from a few hundred particles were in good agreement with those obtained from homogeneous ionic solutions. These results highlight the potential of the LS-APGD/Orbitrap platform for rapid, accurate, and interference-resilient isotope ratio analysis of particle populations without the need for dissolution and subsequent chemical separations, offering significant advantages for nuclear forensics, safeguards, and environmental applications. The effort here also points to further paths forward, hopefully towards single particle (SP) analysis using microplasma ionization and the ultrahigh resolving power of the Orbitrap mass analyzer.

FTMS X2T booster↗

Azimuthal correlation anisotropies in p + p collisions simulated using Pythia

Stimulated by a keen interest in possible collective behavior in high-energy proton-proton and proton-nucleus collisions, we study two-particle angular correlations in pseudorapidity and azimuthal differences in simulated p + p interactions using the Pythia 8 event generator. Multi-parton interactions and color connection are included in these simulations, which have been perceived to produce collectivity in final-state particles. Meanwhile, contributions from genuine few-body nonflow correlations, not of collective flow behavior, are known to be severe in these small-system collisions. We present our Pythia correlation studies pedagogically and report azimuthal harmonic anisotropies analyzed using several methods. We observe anisotropies in these Pythia simulated events qualitatively and semi-quantitatively, similar to experimental data. Furthermore, our findings highlight the delicate nature of azimuthal anisotropies in small-system collisions and provide a benchmark that can aid in improving data analysis and interpreting experimental measurements in small-system collisions.

Pythia↗

Determination of Chemical Freeze-Out Parameters from Net-Kaon Fluctuations at RHIC

We calculate the mean-over-variance ratio of the net-kaon fluctuations in the Hadron Resonance Gas (HRG) Model for the five highest energies of the RHIC Beam Energy Scan (BES) for different particle data lists. We compare these results with the latest experimental data from the STAR collaboration in order to extract sets of chemical freeze-out parameters for each list. We focused on the PDG2012 and PDG2016+ particle lists, which differ largely in the number of resonant states. Furthermore, our analysis determines the effect of the amount of resonances included in the HRG on the freeze-out conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Plasma-assisted catalysis for ammonia synthesis in a dielectric barrier discharge reactor: key surface reaction steps and potential causes of low energy yield

Ammonia synthesis experiments were carried out in a coaxial dielectric barrier discharge (DBD) reactor packed with several different supports and metal catalysts. There was a marked increase in the reaction rate, over that obtained in an empty DBD plasma reactor, upon introduction of a packed bed of γ-Al 2 O 3 , Ru/γ-Al 2 O 3 , or SiO 2 particles. The difference in the reaction rates over γ-Al 2 O 3 and Ru/γ-Al 2 O 3 was minimal. Complementary zero-dimensional plasma kinetic model analysis was also performed using inputs from experimental data. This kinetic analysis allowed for gas phase reactions, Eley–Rideal (E–R) reactions, and direct adsorption of radical species on the γ-Al 2 O 3 surface. On the metal surface, dissociative adsorption of N 2 and H 2 , and Langmuir–Hinshelwood reactions were also included. This analysis revealed that, under the conditions of our experiments, ammonia synthesis proceeds principally by the formation of reactive radicals in the gas phase, which then adsorb and participate in E–R reactions on both the metal and support material surfaces. Furthermore, this finding illustrates a challenge for substantially increasing the energy yield for plasma-assisted ammonia synthesis in typical DBD reactors containing packed catalyst beads.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Leveraging Topological Events in Tracking Graphs for Understanding Particle Diffusion

Abstract Single particle tracking (SPT) of fluorescent molecules provides significant insights into the diffusion and relative motion of tagged proteins and other structures of interest in biology. However, despite the latest advances in high‐resolution microscopy, individual particles are typically not distinguished from clusters of particles. This lack of resolution obscures potential evidence for how merging and splitting of particles affect their diffusion and any implications on the biological environment. The particle tracks are typically decomposed into individual segments at observed merge and split events, and analysis is performed without knowing the true count of particles in the resulting segments. Here, we address the challenges in analyzing particle tracks in the context of cancer biology. In particular, we study the tracks of KRAS protein, which is implicated in nearly 20% of all human cancers, and whose clustering and aggregation have been linked to the signaling pathway leading to uncontrolled cell growth. We present a new analysis approach for particle tracks by representing them as tracking graphs and using topological events – merging and splitting, to disambiguate the tracks. Using this analysis, we infer a lower bound on the count of particles as they cluster and create conditional distributions of diffusion speeds before and after merge and split events. Using thousands of time‐steps of simulated and in‐vitro SPT data, we demonstrate the efficacy of our method, as it offers the biologists a new, detailed look into the relationship between KRAS clustering and diffusion speeds.

McDonald, T.↗

Final Report: A Multi-Channel Fusion Product

The goal of this project was to measure charged fusion products from the d(d,p)t reaction in MAST-U plasmas as a function of time and position with good energy resolution using a system of up to six charged particle detectors. The data from this new diagnostic will make it possible to determine the neutral beam ion density profile as a function of R, z, and t with reduced model dependency and contribute new information to a global analysis of fast ion diagnostic data needed for the determination of the fast ion distribution function (velocity space tomography).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Continuous observations of long-term variations in cosmic X-ray sources

Results are reported for the Charged Particle Measurements Experiment which was conducted on board IMP-7 to detect X-ray fluxes from the sun, the galactic center, Tau X-1, and Sco X-1 over a nine-month period. Autocorrelation analysis of the data indicates a probable 80-day periodicity in the flux from Sco X-1, a 110-day periodicity in the flux from the galactic center, no periodicities in the flux from Tau X-1, and a strong 27-day periodicity in the solar X-ray flux. A transient event detected within the cluster of sources constituting the galactic center is reported which lasted about two months and had a flux roughly equal to the regular flux from this area. It is noted that this was the only transient event detected in the whole area under continuous observation for the duration of the experiment.

Wende, C. D.↗