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At least 127 records · Page 7

Aerosol Chemical Speciation Monitor (ACSM) Time-of-Flight (ToF) from Kennaook Cape Grim

When utilizing these data from Kennaook Cape Grim please acknowledge the Australian Bureau of Meteorology and the Commonwealth Scientific and Industrial Research Organisation (CSIRO) for their long-term and continued support of the Kennaook Cape Grim Baseline Air Pollution Monitoring Station. In addition, please contact the Lead Scientists responsible for the collection of these data sets (melita.keywood@csiro.au, ruhi.humphries@csiro.au and Erin.dunne@csiro.au) to discuss collaboration and authorship opportunities.

54 ENVIRONMENTAL SCIENCES↗

Methodology for physics-informed generation of synthetic neutron time-of-flight measurement data

Accurate neutron cross section data are a vital input to the simulation of nuclear systems for a wide range of applications from energy production to national security. The evaluation of experimental data is a key step in producing accurate cross sections. There is a widely recognized lack of reproducibility in the evaluation process due to its artisanal nature and therefore there is a call for improvement within the nuclear data community. This can be realized by automating/standardizing viable parts of the process, namely, parameter estimation by fitting theoretical models to experimental data. This automation effort could greatly benefit from a synthetic data resource. This work leverages problem-specific physics, Monte Carlo sampling, and a general methodology for data synthesis to generate unlimited, labelled experimental cross-section data that is statistically indistinguishable to the observed data. Heuristic and, where applicable, rigorous statistical comparisons to observed data support this claim. The demonstration is based on/limited to transmission measurements at Rensselaer Polytechnic Institute (RPI) and energy-differential cross sections in the resolved resonance region (RRR). An open-source software is published alongside this article that executes the complete methodology to produce high-utility synthetic datasets. The goal of this work is to provide an approach and corresponding tool that will allow the evaluation community to begin exploring more data-driven, ML-based solutions to long-standing challenges in the field.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

From Cryogenic to High Temperatures: A Microstructural Evolution of δ-phase Pu-Ga Alloys Investigated by Time-of-Flight High-resolution Neutron Diffraction

Phase stability and phase transformations in binary Pu alloys are critical for multiple applications. Long-term phase stability affects mechanical properties, microstructure, corrosion behavior, and structural integrity. A clear and detailed understanding of phase transformations and phase stability mechanisms is necessary to assess the behavior and response to unexpected stimuli. Gaining advanced knowledge on the behavior of Pu and Pu alloys at a variety of temperatures, pressures, and time will ensure better predictions and control on evolution outside laboratory measurements.

36 MATERIALS SCIENCE↗

Muon Time-of-Flight studies for cosmic background rejection in the Short Baseline Near Detector

The Short-Baseline Neutrino (SBN) program at Fermilab is a cutting-edge project in experimental neutrino physics. One of its main goals is to systematically investigate the possible existence of eV-scale sterile neutrinos. This phenomenon has been hypothesized to explain some anomalies found in short-range experiments and, if confirmed, would imply a substantial extension of the Standard Model. SBN also offers an important opportunity to deepen the understanding of neutrino-nucleus interactions in the GeV energy range, through the use of Liquid Argon Time Projection Chambers (LArTPC) detectors, a fundamental technology also for the future DUNE experiment. The SBN experimental infrastructure consists of three detectors aligned along the Booster Neutrino Beamline at Fermilab. Among them, the detector located closest to the neutrino source, SBND (Short-Baseline Near Detector), positioned approximately 110 meters from the target, plays a key role in directly characterizing the initial neutrino flux. This allows for a direct comparison with the measurements from the far detector, ICARUS, located about 600 meters from the source, in order to search for potential signs of anomalous neutrino oscillations. My master's thesis focuses on the commissioning and characterization activities of the SBND detector, with particular reference to the Cosmic Ray Tagger (CRT). The CRT is a subsystem for identifying and rejecting events produced by cosmic rays, which constitute the main source of background for surface experiments like SBND. The activity began with the commissioning of the final components of the detector, as well as their validation to verify their correct functioning and signal acquisition. A central part of my work involved studying the veto efficiency of the CRT system, analyzing the rate of cosmic ray-induced events to quantify any loss of neutrino-induced events caused by cosmic background. This allowed for a more precise evaluation of the systematic impact of the CRT on the useful physics sample. A further phase of my analysis involved an in-depth study of the temporal correlation between the CRT signals and those acquired by the LArTPC's internal photodetector system, consisting of photomultiplier tubes and X-ARAPUCA devices. The objective is to explore the possibility of using combined temporal information as an additional criterion for discriminating between cosmic signals and signals genuinely due to neutrino interaction. Preliminary results indicate the presence of characteristic temporal signatures that could be exploited to improve event selection and increase the purity of the neutrino-induced sample. These methodologies will certainly contribute to the optimization of SBND analysis strategies and, more generally, to a better understanding of background mechanisms in next-generation LArTPC experiments.

Corallo, Annalea [Ferrara U.]↗

EXPANSE: A time-of-flight EXPanded Angle Neutron Spin Echo spectrometer at the Second Target Station of the Spallation Neutron Source

EXPANSE, an EXPanded Angle Neutron Spin Echo instrument, has been proposed and selected as one of the first suite of instruments to be built at the Second Target Station of the Spallation Neutron Source at the Oak Ridge National Laboratory. This instrument is designed to address scientific problems that involve high-energy resolution (neV– μeV) of dynamic processes in a wide range of materials. The wide-angle detector banks of EXPANSE provide coverage of nearly two orders of magnitude in scattering wavenumbers, and the wide wavelength band affords approximately four orders of magnitude in Fourier times. This instrument will offer unique capabilities that are not available in the currently existing neutron scattering instruments in the United States. Specifically, EXPANSE will enable direct measurements of slow dynamics in the time domain over wide Q-ranges simultaneously and will also enable time-resolved spectroscopic studies. The instrument is expected to contribute to a diverse range of science areas, including soft matter, polymers, biological materials, liquids and glasses, energy materials, unconventional magnets, and quantum materials.

47 OTHER INSTRUMENTATION↗

Time-of-flight experiments for nuclear structure and astrophysics

Neutron-rich isotopes are atomic nuclei with a large neutron excess compared to their stable counter parts. Their study provides essential information to understand the properties of the nuclear interaction, and to model nuclear processes in extreme astrophysical environments where neutron-rich isotopes drive the chains of nuclear reactions. Experimentally, these unstable isotopes are difficult to study because of their short half-lives and low production yields at particle accelerator laboratories. The TOF-Bρ technique is a mass measurement technique specialized for experiments with fast beams of short-lived radioactive isotopes. In this project we used the technique for two experiments performed at the National Superconducting Cyclotron Laboratory to measure new masses of isotopes in the region of 112 Mo and 46 S. The experiments at the NSCL were complemented by the development of new timing radiation detectors and experimental techniques to improve the performance and reach of mass measurements on neutron-rich isotopes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Efficient loading of reduced data ensembles produced at ORNL SNS/HFIR neutron time-of-flight facilities

We present algorithmic improvements to the loading operations of certain reduced data ensembles produced from neutron scattering experiments at Oak Ridge National Laboratory (ORNL) facilities. Ensembles from multiple measurements are required to cover a wide range of the phase space of a sample material of interest. They are stored using the standard NeXus schema on individual HDF5 files. This makes it a scalability challenge, as the number of experiments stored increases in a single ensemble file. The present work follows up on our previous efforts on data management algorithms, to address identified input output (I/O) bottlenecks in Mantid, an open-source data analysis framework used across several neutron science facilities around the world. We reuse an in-memory binary-tree metadata index that resembles data access patterns, to provide a scalable search and extraction mechanism. In addition, several memory operations are refactored and optimized for the current common use cases, ranging most frequently from 10 to 180, and up to 360 separate measurement configurations. Results from this work show consistent speed ups in wall-clock time on the Mantid LoadMD routine, ranging from 19% to 23% on average, on ORNL production computing systems. The latter depends on the complexity of the targeted instrument-specific data and the system I/O and compute variability for the shared computational resources available to users of ORNL’s Spallation Neutron Source (SNS) and the High Flux Isotope Reactor (HFIR) instruments. Nevertheless, we continue to highlight the need for more research to address reduction challenges as experimental data volumes, user time and processing costs increase.

Godoy, William↗

Circular dichroism in hard X-ray photoelectron diffraction observed by time-of-flight momentum microscopy

X-ray photoelectron diffraction (XPD) is a powerful technique that yields detailed structural information of solids and thin films that complements electronic structure measurements. Among the strongholds of XPD we can identify dopant sites, track structural phase transitions, and perform holographic reconstruction. High-resolution imaging of k ll -distributions (momentum microscopy) presents a new approach to core-level photoemission. It yields full-field k x -k y XPD patterns with unprecedented acquisition speed and richness in details. Here, we show that beyond the pure diffraction information, XPD patterns exhibit pronounced circular dichroism in the angular distribution (CDAD) with asymmetries up to 80%, alongside with rapid variations on a small k ll -scale (0.1 Å -1 ). Measurements with circularly-polarized hard X-rays (hν = 6 keV) for a number of core levels, including Si, Ge, Mo and W, prove that core-level CDAD is a general phenomenon that is independent of atomic number. The fine structure in CDAD is more pronounced compared to the corresponding intensity patterns. Additionally, they obey the same symmetry rules as found for atomic and molecular species, and valence bands. Further, the CD is antisymmetric with respect to the mirror planes of the crystal, whose signatures are sharp zero lines. Calculations using both the Bloch-wave approach and one-step photoemission reveal the origin of the fine structure that represents the signature of Kikuchi diffraction. To disentangle the roles of photoexcitation and diffraction, XPD has been implemented into the Munich SPRKKR package to unify the one-step model of photoemission and multiple scattering theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Development of a Gas Chromatography with High-Resolution Time-of-Flight Mass Spectrometry Methodology for BDNPA/F

Analysis of thermally labile compounds such as bis(2,2-dinitropropyl) acetal/formal (BDNPA/F), an energetic plasticizer, is usually performed via liquid chromatography (LC) as opposed to gas chromatography (GC) due to thermal decomposition in the inlet or the analytical column. While LC is a powerful technique, the analysis of volatile and semivolatile compounds is best suited to GC. Herein, a method was developed for a gas chromatograph coupled to high-resolution mass spectrometer (GC-HRMS), utilizing a programmable temperature vaporizer (PTV) inlet. A subset of the native compounds and several produced by the thermal decomposition of BDNPA/F in the inlet were evaluated by using multiple PTV inlet parameters to determine the optimal ramp rate and final temperature of the inlet (60 °C/min from 60 to 325 °C). The optimized GC-HRMS method nearly reduced all thermal decomposition, allowing for an excellent separation to be obtained. Furthermore, multiple ionization methods, including electron impact (EI), negative chemical ionization (NCI), and positive chemical ionization (PCI), were used to explore the many chemical differences between the BDNPA/F samples. A preliminary investigation of the benefits of using GC-HRMS to evaluate the chemical differences between unaged and aged BDNPA/F samples for unique insight was evaluated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

macroMS: Image-Guided Analysis of Random Objects by Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry

Mass spectrometry imaging is well-suited to characterizing sample surfaces for their chemical content in a spatially resolved manner. However, when the surface contains small objects with significant empty spaces between them, more efficient approaches to sample acquisition are possible. Image-guided mass spectrometry (MS) enables high-throughput analysis of a diverse range of sample types, such as microbial colonies, liquid microdroplets, and others, by recognizing and analyzing selected location targets in an image. Here, we describe an imaging protocol and macroMS, an online software suite that can be used to enhance MS measurements of macroscopic samples that are imaged by a camera or a flatbed scanner. Furthermore, the web-based tool enables users to find and filter targets from the optical images, correct optical distortion issues for improved spatial location of selected targets, input the custom geometry files into an MS device to acquire spectra at the selected locations, and finally, perform limited data analysis and use visualization tools to aid locating samples containing compounds of interest. Using the macroMS suite, an enzyme mutant library of Saccharomyces cerevisiae and nL droplet arrays of Escherichia coli and Pseudomonas fluorescens have been assayed at a rate of ~2 s/sample.

47 OTHER INSTRUMENTATION↗