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At least 865 records · Page 48

Collective coordinate fix in the path integral

Collective coordinates are frequently employed in path integrals to manage divergences caused by fluctuations around saddle points that align with classical symmetries. These coordinates parametrize a manifold of zero modes and more broadly provide judicious coordinates on the space of fields. However, changing from local coordinates around a saddle point to more global collective coordinates is remarkably subtle. The main complication is that the mapping from local coordinates to collective coordinates is generically multivalued. Consequently one is forced to either restrict the domain of path integral in a delicate way, or otherwise correct for the multivaluedness by dividing the path integral by certain intersection numbers. We provide a careful treatment of how to fix collective coordinates while accounting for these intersection numbers, and then demonstrate the importance of the fix for free theories. We also provide a detailed study of the fix for interacting theories and show that the contributions of higher intersections to the path integral can be nonperturbatively suppressed. Using a variety of examples ranging from single-particle quantum mechanics to quantum field theory, we explain and resolve various pitfalls in the implementation of collective coordinates. Published by the American Physical Society 2024

Bhattacharya, Arindam (ORCID:0000000244578926)↗

Improving the accuracy of freight mode choice models: A case study using the 2017 CFS PUF data set and ensemble learning techniques

Here, the US Census Bureau has collected two rounds of experimental data from the Commodity Flow Survey, providing shipment-level characteristics of nationwide commodity movements, published in 2012 (i.e., Public Use Microdata) and in 2017 (i.e., Public Use File). With this information, data-driven methods have become increasingly valuable for understanding detailed patterns in freight logistics. In this study, we used the 2017 Commodity Flow Survey Public Use File data set to explore building a high-performance freight mode choice model, considering three main improvements: (1) constructing local models for each separate commodity/industry category; (2) extracting useful geographical features, particularly the derived distance of each freight mode between origin/destination zones; and (3) applying additional ensemble learning methods such as stacking or voting to combine results from local and unified models for improved performance. The proposed method achieved over 92% accuracy without incorporating external information, an over 19% increase compared to directly fitting Random Forests models over 10,000 samples. Furthermore, SHAP (Shapely Additive Explanations) values were computed to explain the outputs and major patterns obtained from the proposed model. The model framework could enhance the performance and interpretability of existing freight mode choice models.

42 ENGINEERING↗

Measurement of Stark-split beam and carbon charge exchange emissions for simultaneous B-field and temperature/rotation analysis at DIII-D

A set of two newly designed, single-channel Czerny–Turner spectrometers has been deployed at the DIII-D tokamak for measurements of the motional Stark effect (MSE) split beam emission and the C6+ (CVI) carbon charge exchange recombination (CER) emission at high spectral (δλ = 0.13 nm) and temporal (1–5 kHz) resolution. High throughput optics (f/# = 2.8) allow for good signal-to-noise at high time resolution using fast EMCCD detectors. The MSE emission allows for spectral fitting of the magnitude and direction of the local B-field, while the carbon emission yields local ion temperature and toroidal rotation information. To reduce so-called Doppler broadening of the MSE emission, a new channel-specific variable lens-masking approach has been developed. Experimental data collected from the 2023 DIII-D experimental campaign demonstrate the signal quality and instrument fidelity for both diagnostic measurements. Moreover, initial CER data analysis shows a clear evolution of the toroidal rotation during edge localized modes. Initial progress on the advanced MSE model, including a new validated ray-trace model of the DIII-D collection optics, is shown via sensitivity analysis.

Instruments & Instrumentation↗

Space charge induced beam instability in periodic focusing channel

The transverse evolution of the envelope of an intense, unbunched ion beam in a linear periodic transport channel can be modeled for the approximation of linear self-fields by the Kapchinskij-Vladimirskij envelope equation. The envelope mismatched modes, or the second order even mode [I. Hofmann, Phys. Rew. E 57, 4713 (1998)], are the lowest order of resonance leading to collective instability that the designer should avoid, which suggests that an accelerator system should be established in the parameter region where the zero beam current phase advance σ{sub 0} less than 90°. In this paper, we systemically studied the resonance mechanisms which result in confluent resonance in quadrupole Focusing-Defocusing (FD) channel and parametric resonance in solenoid channel. We propose that the mismatch modes cannot be exactly separated in FD channel; if one mode is excited, there is always some contribution of the other. To verify the influence of the confluent resonance and parametric resonance, the 2D Poissons solver in the self-consistent particle-in-cell simulation code TOPOPIC is adopted to study the beam evolution in both channels. Our simulations results show that the emittance show significant growth both in the confluent resonance stop band and parametric resonance stop band. The influences of the higher order of resonance are also discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Electrodynamic Tether as a Thruster for MXER Studies

Electrodynamic propulsion based on the interaction of a conducting tether with the background magnetic field can be implemented across a range of system designs. Bare tethers, bare and insulated tethers with a balloon termination, and insulated tethers with a grid-sphere termination have been proposed for different applications. Electrodynamic tether as a thruster is currently proposed for the Momentum exchange Electrodynamic Reboost (MXER) Tether System that currently under development at NASA Marshal Space Flight Center. The choice of a tether design for a specific mission is based on the analysis of tether system performance. Different parameters describing tether performance such as system acceleration and efficiency can be calculated if the current distribution along the tether at the satellite trajectory is known. The code calculating the tether current collection for the bare and partly insulated tethers with the circular (wire) and rectangular (tape) cross-sections operating in the thrust mode has been developed and applied for MXER that is expected to operate in an equatorial elliptical orbit with perigee in the altitude range of 300-500km and apogee between 5000-8000km. The collected current is calculated as a function of the satellite velocity and the Earth s magnetic field, plasma parameters (plasma density and temperature), and tether parameters (tether length, the length of the bare segment, the type and the dimensions of the cross-section). The deviation of the collected current from the OML model due to the tether thickness and self-induced magnetic field (for tether with a circular cross-section) is taken into account.

Khazanov, G. V.↗

Dynamic Mode Decomposition of Unsteady Pressure-Sensitive Paint Measurements for the NASA Unitary Plan Wind Tunnel Tests

This paper discusses the Dynamic Mode Decomposition (DMD) of the Unsteady Pressure-Sensitive Paint (uPSP) measurements, which were collected with four Phantom high-speed cameras at a constant sample frequency in the Ascent Transient Aerodynamics Test (ATAT) of the Space Launch System (SLS) Block 1 cargo vehicle with the Unitary Plan Wind Tunnel (UPWT) 11-by-11-foot Transonic Wind Tunnel in September 2019 at NASA Ames Research Center. The conventional DMD algorithm is based on the Singular Value Decomposition (SVD). For the data with zero mean, the DMD is equivalent to the Discrete Fourier Transform (DFT). Since the uPSP is mainly used to determine the unsteady property of the aerodynamic flow, the DMD of the uPSP measurements is implemented in two steps: (1) subtract the mean value from the uPSP measurement; (2) apply the Fast Fourier Transform (FFT) on the resulting data with zero mean. The DMD of the uPSP measurements with FFT has two advantages: (1) the FFT algorithm is well known for its computational efficiency, therefore, compared to the SVD-based DMD algorithm, the DMD with FFT reduces the computation time; (2) the DMD with FFT can be easily implemented in parallel processing. The DMD outputs were generated with the execution in parallel of a code in C, with libraries of FFTW for FFT and MPI/OpenMP for parallel processing, on the NASA Pleiades supercomputer. In this paper, the results of DMD of the uPSP measurements in the tests of Mach sweep runs of the SLS ATAT are presented, and the effectiveness of the DMD of the uPSP measurements in the diagnosis of the unsteady, aerodynamic phenomena is demonstrated. The work described in this paper is a part of NASA’s development of a new state-of-the-art uPSP capability in production wind tunnels. Funding for this research was provided by the NASA Aeroscience Evaluation and Test Capabilities Project.

Pressure-Sensitive Paint↗

Mode Multiplexing for Scalable Cavity-Enhanced Operations in Neutral-Atom Arrays

Neutral-atom arrays provide a versatile platform for quantum information processing. However, in large-scale arrays, efficient photon collection remains a bottleneck for key tasks such as fast, nondestructive qubit readout and remote entanglement distribution. We propose a cavity-based approach that enables fast, parallel operations over many atoms using multiple modes of a single optical cavity. By selectively shifting the relevant atomic transitions, each atom can be coupled to a distinct cavity mode, allowing independent simultaneous processing. We present practical system designs that support cavity-mode multiplexing with up to 50 modes, enabling rapid mid-circuit syndrome extraction and significantly enhancing entanglement distribution rates between remote atom arrays. This approach offers a scalable solution to core challenges in neutral-atom arrays, advancing the development of practical quantum technologies.

Aqua, Ziv [Massachusetts Institute of Technology (↗

Chemical/Optical Properties of Oliktok Aerosols Field Campaign Report

The arctic environment is changing at an alarming rate. During this time of escalation, it is important to understand the impacts of aerosols, both natural and anthropogenic. To support this effort, an aerosol sampling campaign was conducted at the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Climate Research Facility third Mobile Facility (AMF3) at Oliktok Point on the North Slope of Alaska (NSA). The specific objectives of the campaign were to collect aerosol particles as a function of aerodynamic particle size in order to better understand the varying chemical and optical properties of the aerosols in the different particle size modes. A DRUM-style cascading impactor (Davis Rotating-Unit for Monitoring) was deployed at the beginning of March 2017 through the end of May 2017, collecting samples in eight size bins for each 12-hour period, thereby obtaining a diurnal signature. On March 6, a fire burned down the power generation shed at the sampling site. No samples were collected again until March 10. Due to DRUM sampler rotation issues, samples were collected intermittently until March 13. From March 14 through the end of the study, samples were collected with little interference. The size bins of the instrument range from approximately 10 to 0.09 μm; however, deployment at the Oliktok Point facility required an inlet configuration that effectively filtered out the coarsest size bin. Therefore, the reported size bins are 5.0 to 2.5, 2.5 to 1.15, 1.15 to 0.75, 0.75 to 0.56, 0.56 to 0.34, 0.34 to 0.26, and 0.26 to 0.09 μm. It is also possible that ultrafine particles were removed by electrostatic charging of the high-density polyethylene inlet tubing; however, confirmation of this would require further testing. The collected samples were returned to the University of California (UC), Davis for offline analysis. Particle mass concentrations were measured by soft-beta ray attenuation while optical attenuation was determined by broadband transmission spectrometry (10 wavelengths from 349 to 849 nm in 50 nm increments, minus 649 nm). The samples were then taken to the Advanced Light Source facility at Lawrence Berkeley National Laboratory for synchrotron-induced X-ray fluorescence spectrometry (SXRF). Thirty elements were detected, from sodium to molybdenum plus lead. The polarized nature of the synchrotron beam eliminates 97.5% of the primary Compton background, providing approximately a factor of 10 greater sensitivity than unpolarized X-ray instruments (Barberie et al. 2013). The data were reduced using custom software packages and analyzed for any sources of contamination, sample damage, or other potential causes of data invalidation. The interpretation of the final data set is ongoing and only early results will be described in this report. In spite of power and instrumental issues at the start, the field campaign was largely successful. Excluding the first stage that did not receive sample and power/rotational issues, the remaining stages were 99.7% complete (number of valid measurements/total number of measurements made). The percent of measurements below detection were < 30% for all species with the exception of sodium, magnesium, arsenic, and scandium. Sodium and magnesium were expected to be difficult to measure using SXRF due to low sensitivity at that energy range. Scandium is very rare in ambient samples unless near a very strong source. Arsenic is fairly common in urban settings but is not expected in the arctic environment.

54 ENVIRONMENTAL SCIENCES↗

A Bridge Health Monitoring Method Using the Hilbert-Huang Transform: A Case Study

We have developed a new method for nondestructive instrument method to monitor the health of a bridge. This new method is based on a transient test load and simple data collection. The nuclear of the method is the new invented nonstationary and nonlinear time series analysis method, the Empirical Mode Decomposition and Hilbert Spectral Analysis. The final decision on the health of the bridge structure is based on the nonlinear characteristic of the data, and on the comparison between the free and the forced vibration frequencies. Thus this alternative method enjoys many advantages: (1) no a priori data required, (2) simple data collection, and (3) minimum traffic disruption. Results from a case study of the Shing-Nan Bridge in Hou-Wei will be reported.

Huang, Norden E.↗

Catching the Killer: Dynamic Disorder Design Rules for Small–Molecule Organic Semiconductors

Small-molecule organic semiconductors are promising materials for applications ranging from solar cells to medical sensors. Their nearly infinite design space means that, in theory, it is possible to tailor the material to the exact specifications of a particular application. In reality; however, design rules to improve mobility (μ) remain elusive because of the complex calculations required to understand its limiters. Transient localization theory posits that charge carriers are slowed down by the collective phonon motions, called dynamic disorder, which localize charge carriers temporarily. Traditionally, a mode-by-mode analysis is performed to try and identify “killer” modes. Herein, the flaws are demonstrated with this analysis and present a streamlined simulation workflow that simplifies simulation of dynamic disorder and enables engineering of new molecular structures based on phonon dynamics. This workflow is combined with a novel visualization technique that enables per-atom insights into how μ is limited. Furthermore, this workflow is applied and analyzed to a series of -acenes and a series of BTBT-based molecules. Then design rules are identified in each series that identify possible ways to improve the μ beyond current experimental limits using phonon engineering.

36 MATERIALS SCIENCE↗

An Optically Isotropic Antiferroelectric Liquid Crystal (OI‐AFLC) Display Mode Operating over a Wide Temperature Range using Ternary Bent‐Core Liquid Crystal Mixtures

Abstract We report on the synthesis and characterization of bent‐core liquid crystal (LC) compounds and the preparation of mixtures that provide an optically isotropic antiferroelectric (OI‐AFLC) liquid crystal display mode over a very wide temperature interval and well below room temperature. From the collection of compounds synthesized during this study, we recognized that several ternary mixtures displayed a modulated SmC a P A phase down to below −40 °C and up to about 100 °C on both heating and cooling, as well as optical tilt angles in the transformed state of approximately 45° (optically isotropic state). The materials were fully characterized and their liquid crystal as well as electro‐optical properties analyzed by polarized optical microscopy, differential scanning calorimetry, synchrotron X‐ray diffraction, dielectric spectroscopy, and electro‐optical tests.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Experimental data for damage mechanics simulation challenge

While there are many computational approaches for simulating damage in rock and other materials, few have been ground truth tested with either known experimental data or with blind data sets. Here, in this work, we present a bench-mark laboratory data set for a damage mechanics challenge to compare computational approaches on damage evolution in brittle-ductile materials. The samples were fabricated through additive manufacturing to produce repeatable specimens designed to fail in controlled ways. The failure was induced in the samples using a 3-point bending test to produce different Modes such as Mode I and mixed Modes including I-II, I-III and I-II-III Modes to generate a calibration data set and a blind challenge data set. Data collected included spatial and temporal measurements from traditional digital load–displacement sensors, 2D digital image correlation measurement to map surface deformations, 3D X-ray microscopy to ground-truth the crack-failure geometry, and laser profilometry to capture surface roughness. The data sets are available, on a data repository, to the community to advance computational models to improve our ability to predict damage in brittle-ductile materials.

3-point bending↗

Search for rare 3-$α$ decays in the region of the Hoyle state of 12 C

We performed a refined analysis of the data collected with the CHIMERA detector with the aim of searching rare 3-$α$ decay modes near the Hoyle state of 12 C. In particular we investigated the direct and sequential decay modes of the Hoyle state including also the recently suggested Efimov state. The comparison of selected events with simulations constrains the precision achievable with measurements in different experimental conditions. We observe good sensitivities to different decay scenarios also in the CHIMERA spherical region notwithstanding its limited angular resolution. Furthermore, the search for the decay of the Efimov state in 12 C was performed by using new selection strategies as suggested by simulations. The obtained results are not conclusive, however, we are able to exclude the presence of a sequential decay of this state, while our data could be compatible with its direct decay.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Quantum Simulations of Vibrational Strong Coupling via Path Integrals

A quantum simulation of vibrational strong coupling (VSC) in the collective regime via thermostated ring-polymer molecular dynamics (TRPMD) is reported. For a collection of liquid-phase water molecules resonantly coupled to a single lossless cavity mode, the simulation shows that as compared with a fully classical calculation, the inclusion of nuclear and photonic quantum effects does not lead to a change in the Rabi splitting but does broaden polaritonic line widths roughly by a factor of 2. Moreover, under thermal equilibrium, both quantum and classical simulations predict that the static dielectric constant of liquid water is largely unchanged inside vs outside the cavity. Furthermore, this result disagrees with a recent experiment demonstrating that the static dielectric constant of liquid water can be resonantly enhanced under VSC, suggesting either limitations of our approach or perhaps other experimental factors that have not yet been explored.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Detonation Soot: A New Class of Ice Nucleating Particle

Abstract Temperatures and pressures from high explosive detonations far exceed atmospheric conditions in typical combustion reactions, and consequently, detonation soot forms with physiochemical properties distinct from soot formed by combustion. In this study, samples of detonation soot from two high explosives, PBX 9502 and Composition B‐3, were analyzed. Ice nucleation experiments on soot collected after controlled detonations were conducted in the laboratory to probe immersion and contact mode freezing. Samples nucleated ice at temperatures warmer than commercially available nanodiamonds, which has a mean nucleation temperature of −20.7°C. Ice nucleation rate coefficients increase rapidly by two to three orders of magnitude below −20°C for every sample. Size‐selected 137 μm diameter particles produced during detonation in an ambient air atmosphere yield bimodal distributions of freezing temperature with primary and secondary nucleation modes centered at −20°C and −13°C, respectively. The presence of a secondary mode allows for enhanced ice nucleation rate coefficients (one to two orders of magnitude greater than samples without a secondary mode) at temperatures outside the influence of the primary mode (>−17°C). Given the observed onset nucleation temperatures of −9.2°C, our results imply that detonation soot of the type studied here would only need to reach an altitude of approximately 4 km to facilitate ice formation.

54 ENVIRONMENTAL SCIENCES↗

Micro-Raman spectroscopic study of nanolaminated Ti{sub 5}Al{sub 2}C{sub 3}

Micro-Raman spectroscopic study and lattice dynamics calculations were conducted to study a recently identified layered ternary carbide, Ti{sub 5}Al{sub 2}C{sub 3}. The experimental Raman shifts were remarkably consistent with the calculated values. Polarized Raman spectrum was collected in the polycrystalline sample, which confirmed the theoretical symmetry assignment of the Raman modes. In addition, the atomic vibrations of the peaks at 192 cm{sup −1}, 311 cm{sup −1}, and 660 cm{sup −1} were identified to be the combination of the counterparts in Ti{sub 2}AlC and Ti{sub 3}AlC{sub 2}.

36 MATERIALS SCIENCE↗

THz-frequency magnon-phonon-polaritons in the collective strong-coupling regime

Strong coupling between light and matter occurs when the two interact such that new hybrid modes, the so-called polaritons, are formed. Here, we report on the strong coupling of both the electric and the magnetic degrees of freedom to an ultrafast terahertz (THz) frequency electromagnetic wave. In our system, optical phonons in a slab of ferroelectric lithium niobate are strongly coupled to a THz electric field to form phonon-polaritons, which are simultaneously strongly coupled to magnons in an adjacent slab of canted antiferromagnetic erbium orthoferrite via the magnetic-field component of the same THz pulse. We juxtapose experimental results of bare slabs consisting of the two materials with a photonic crystal cavity, consisting of a two-dimensional array of air holes cut into the hybrid slab. In both cases, the strong coupling leads to the formation of new magnon-phonon-polariton modes, which we experimentally observe in the time domain as a normal-mode beating and which corresponds in the frequency domain to an avoided crossing. Finally, our simple yet versatile waveguide platform provides a promising avenue through which to explore ultrafast THz spintronics, quantum electrodynamics, sensing, and spectroscopic applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Linear response of molecular polaritons

In this article, we show that the collective light–matter strong coupling regime where N molecular emitters couple to the photon mode of an optical cavity can be mapped to a quantum impurity model where the photon is the impurity that is coupled to a bath of anharmonic transitions. In the thermodynamic limit where N ≫ 1, we argue that the bath can be replaced with an effective harmonic bath, leading to a dramatic simplification of the problem into one of the coupled harmonic oscillators. We derive simple analytical expressions for linear optical spectra (transmission, reflection, and absorption) where the only molecular input required is the molecular linear susceptibility. This formalism is applied to a series of illustrative examples, showing the role of temperature, disorder, vibronic coupling, and optical saturation of the molecular ensemble, explaining that it is useful even when describing an important class of nonlinear optical experiments. For completeness, we provide Appendixes A–C that include a self-contained derivation of the relevant spectroscopic observables for arbitrary anharmonic systems (for both large and small N) within the rotating-wave approximation. While some of the presented results herein have already been reported in the literature, we provide a unified presentation of the results as well as new interpretations that connect powerful concepts in open quantum systems and linear response theory with molecular polaritonics.

Chemistry↗