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At least 235 records · Page 13

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DOE OSTI2024

Momentum-exchange interactions in a Bragg atom interferometer suppress Doppler dephasing

Large ensembles of laser-cooled atoms interacting through infinite-range photon-mediated interactions are powerful platforms for quantum simulation and sensing. Here we realize momentum-exchange interactions in which pairs of atoms exchange their momentum states by collective emission and absorption of photons from a common cavity mode, a process equivalent to a spin-exchange or XX collective Heisenberg interaction. The momentum-exchange interaction leads to an observed all-to-all Ising-like interaction in a matter-wave interferometer. A many-body energy gap also emerges, effectively binding interferometer matter-wave packets together to suppress Doppler dephasing in analogy to Mössbauer spectroscopy. The tunable momentum-exchange interaction expands the capabilities of quantum interaction–enhanced matter-wave interferometry and may enable the realization of exotic behaviors, including simulations of superconductors and dynamical gauge fields.

Science & Technology - Other Topics↗

DOE OSTI2024

Constraining Cross Section and Beam Systematics for Future NOvA Sterile Neutrino Search

he NOvA (NuMI Off-axis $\nu_e$ Appearance) experiment measures neutrino oscillations in a nearly pure muon (anti)neutrino beam over a 810 km baseline. We search for sterile neutrino driven oscillations in both neutral current (NC) and charged current (CC) muon neutrino samples. A deficit of NC interactions at the Far Detector could occur since sterile neutrinos do not couple to the Z boson. A modulation of the muon neutrino disappearance probability is possible due to a new mass splitting. The NuMI beam line is capable of running in forward or reverse horn current modes, which creates a neutrino or antineutrino beam, respectively. Samples collected in forward horn current (FHC) or reverse horn current (RHC) modes are subject to beam optics uncertainties, in addition to cross section and hadron production uncertainties. We explore the ategories. To tackle reduction of cross section uncertainties, we study how splitting the neutral current (NC) samples can impact the systematic reduction and its implications on oscillation parameters, leveraging results from Monte Carlo simulations. Additionally, we look at the possibility of using a $\nu$-on-e scattering sample. The $\nu$-on-e scattering process has minimal cross section uncertainties compared to that of neutrino-nucleus interactions, which can help constrain the overall flux normalizations. Using both the ZHC sample, NC split sample, and $\nu$-on-e scattering sample jointly with FHC samples would reduce the focusing uncertainties and the hadron production uncertainties in the future sterile analysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

1989 Seattle Household Travel Survey Wave 1

The Puget Sound Transportation Panel was initiated in the fall of 1989. The Seattle Household Travel Survey Wave 1, conducted in 1989, was the first wave in a ten-part longitudinal panel survey initiated by the Puget Sound Regional Council to assess the travel patterns of households in the Puget Sound region of Washington state. The panel intended to serve three basic objectives: 1) to be a metropolitan “current population survey” to track changes in employment, work characteristics, household composition, and vehicle availability; 2) to monitor changes in travel behavior and responses to changes in the transportation environment; and 3) to examine changes in attitudes and values as they affect mode choice and travel behavior. This collection contains the first set of panel data for households in King, Kitsap, Pierce, and Snohomish counties. A total of 1,687 households successfully completed a phone survey and returned completed travel diaries for household members age 15 and older. Respondents were instructed to record their mode of transportation, trip purpose, number of vehicle passengers, departure and arrival times, ride fare, and parking costs in a two-day trip diary. Demographic information for this study includes age, gender, education, employment status, and household income.

1Hz data↗

DOE OSTI2022

Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity

Strong light–matter interaction in cavity environments is emerging as a promising approach to control chemical reactions in a non-intrusive and efficient manner. The underlying mechanism that distinguishes between steering, accelerating, or decelerating a chemical reaction has, however, remained unclear, hampering progress in this frontier area of research. We leverage quantum-electrodynamical density-functional theory to unveil the microscopic mechanism behind the experimentally observed reduced reaction rate under cavity induced resonant vibrational strong light-matter coupling. We observe multiple resonances and obtain the thus far theoretically elusive but experimentally critical resonant feature for a single strongly coupled molecule undergoing the reaction. While we describe only a single mode and do not explicitly account for collective coupling or intermolecular interactions, the qualitative agreement with experimental measurements suggests that our conclusions can be largely abstracted towards the experimental realization. Specifically, we find that the cavity mode acts as mediator between different vibrational modes. In effect, vibrational energy localized in single bonds that are critical for the reaction is redistributed differently which ultimately inhibits the reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Dynamic mode decomposition with core sketch

With the increase in collected data volumes, either from experimental measurements or high fidelity simulations, there is an ever-growing need to develop computationally efficient tools to process, analyze, and interpret these datasets. Modal analysis techniques have gained great interest due to their ability to identify patterns in the data and extract valuable information about the system being considered. Dynamic mode decomposition (DMD) relies on elements of the Koopman approximation theory to compute a set of modes, each associated with a fixed oscillation frequency and a decay/growth rate. Extracting these details from large datasets can be computationally expensive due to the need to implement singular value decomposition of the input data matrix. Sketching algorithms have become popular in numerical linear algebra where statistical theoretic approaches are utilized to reduce the cost of major operations. A sketch of a matrix is another matrix, which is significantly smaller, but still sufficiently approximates the original system. We put forth an efficient DMD framework, SketchyDMD, based on a core sketching algorithm that captures information about the range and corange (their mutual relationship) of input data. The proposed sketching-based framework can accelerate various portions of the DMD routines, compared to classical methods that operate directly on the raw input data. We conduct numerical experiments using the spherical shallow water equations as a prototypical model in the context of geophysical flows. In conclusion, we show that the proposed SketchyDMD is superior to existing randomized DMD methods that are based on capturing only the range of the input data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Inhomogeneous mean-field approach to collective excitations near the superfluid–Mott glass transition

Highlights: • Unconventional collective excitations across the superfluid–Mott glass transition. • Higgs mode localized in superfluid and insulating phases. • Broad uncritical amplitude response function at quantum phase transition. • Goldstone mode delocalizes in the superfluid phase. We develop an inhomogeneous quantum mean-field approach to the behavior of collective excitations across the superfluid–Mott glass quantum phase transition in two dimensions, complementing recent quantum Monte Carlo simulations (Puschmann et al. 2020). In quadratic (Gaussian) approximation, the Goldstone (phase) and Higgs (amplitude) modes completely decouple. Each is described by a disordered Bogoliubov Hamiltonian which can be solved by an inhomogeneous multi-mode Bogoliubov transformation. We find that the Higgs mode is spatially localized in both phases. The corresponding scalar spectral function shows a broad peak that is noncritical in the sense that its peak frequency does not soften but remains nonzero across the quantum phase transition. In contrast, the lowest-energy Goldstone mode delocalizes in the superfluid phase, leading to a zero-frequency spectral peak. We compare these findings to the results of the quantum Monte Carlo simulations. We also relate them to general results on the localization of bosonic excitations, and we discuss the limits and generality of our approach.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

A scalable transformer model for real-time decision making in neutron scattering experiments

The U.S. Department of Energy's (DOE's) neutron research facilities at Oak Ridge National Laboratory (ORNL), including the High Flux Isotope Reactor (HFIR) and the Spallation Neutron Source (SNS), are a state-of-the-art neutron scattering facility that allows researchers to study the structure and dynamics of materials at the atomic scale. At the SNS, neutrons are measured using the time-of-flight (TOF) technique as they move through a neutron beamline to interact with a sample. Large volumes of neutron scattering data are collected and recorded in neutron event mode. Optimal productivity of the TOF instrument is limited due to the lack of real-time data analysis tools. The large amount of data generated by the experiments can be challenging to process and analyze in real time, particularly for experiments that require rapid feedback and adjustment of experimental parameters. The regular computer/workstation cannot keep up with the experiment speed to provide real-time feedback to adjust experimental parameters, so connecting the supercomputers available to the neutron facility is necessary to achieve real-time data analysis and experiment steering. To address this challenge, we exploit the Frontier supercomputer at Oak Ridge Leadership Computing Facility (OLCF) to train a scalable temporal fusion transformer model for real-time decision making of TOF neutron scattering experimentation. Here, in this paper, we present the results using Frontier to provide the processing power needed to rapidly process and analyze large volumes of single-crystal diffraction data collected at TOPAZ, a neutron time-of-flight Laue single-crystal diffractometer at the SNS.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Integrated photonic structures for photon-mediated entanglement of trapped ions

Trapped atomic ions are natural candidates for quantum information processing and have the potential to realize or improve quantum computing, sensing, and networking. These applications often require the collection of individual photons emitted from ions into guided optical modes, in some cases for the production of entanglement between separated ions. Proof-of-principle demonstrations of such photon collection from trapped ions have been performed using high-numerical-aperture lenses or cavities and single-mode fibers, but integrated photonic elements in ion-trap structures offer advantages in scalability and manufacturability over traditional optics. In this paper we analyze structures monolithically fabricated with an ion trap for collecting ion-emitted photons, coupling them into waveguides, and manipulating them via interference. We calculate geometric limitations on collection efficiency for this scheme, simulate a single-layer grating that shows performance comparable to demonstrated free-space optics, and discuss practical fabrication and fidelity considerations. Based on this analysis, we conclude that integrated photonics can support scalable systems of trapped ions that can distribute quantum information via photon-mediated entanglement.

Knollmann, Felix W.↗

DOE OSTI2026

Collection of fluorescence from an ion using trap-integrated photonics

Spontaneously emitted photons are entangled with the electronic and nuclear degrees of freedom of the emitting atom, so interference and measurement of these photons can entangle separate matter-based quantum systems as a resource for quantum information processing. Since confinement in a single-mode facilitates the photon interference needed for generating entanglement, the dipole emission patterns relevant in spontaneous emission present a mode-matching challenge. Current demonstrations rely on bulk photon-collection and manipulation optics that suffer from large component size and system-to-system variability—factors that impede scaling to the large numbers of entangled pairs needed for quantum information processing. To address these limitations, we demonstrate a collection method that enables passive phase stability, straightforward photonic manipulation, and intrinsic reproducibility. Specifically, we engineer a waveguide-integrated grating to couple photons emitted from a trapped ion into a single optical mode within a microfabricated ion-trap chip. Using the integrated collection optic, we characterize the collection efficiency, image the ion, and detect the ion’s quantum state. The integrated optic covers 2.18% of the solid angle and collects 1.97 ± 0.3% of the spontaneously emitted light incident on the grating for a total collection efficiency of 0.043% into a single-mode waveguide. This proof-of-principle demonstration lays the foundation for leveraging the inherent stability and reproducibility of integrated photonics to create, manipulate, and measure multipartite quantum states in arrays of quantum emitters.

Optical physics↗

DOE OSTI2023

Theoretical Advances in Polariton Chemistry and Molecular Cavity Quantum Electrodynamics

When molecules are coupled to an optical cavity, new light–matter hybrid states, so-called polaritons, are formed due to quantum light–matter interactions. With the experimental demonstrations of modifying chemical reactivities by forming polaritons under strong light–matter interactions, theorists have been encouraged to develop new methods to simulate these systems and discover new strategies to tune and control reactions. This review summarizes some of these exciting theoretical advances in polariton chemistry, in methods ranging from the fundamental framework to computational techniques and applications spanning from photochemistry to vibrational strong coupling. Even though the theory of quantum light–matter interactions goes back to the midtwentieth century, the gaps in the knowledge of molecular quantum electrodynamics (QED) have only recently been filled. We review recent advances made in resolving gauge ambiguities, the correct form of different QED Hamiltonians under different gauges, and their connections to various quantum optics models. Then, we review recently developed ab initio QED approaches which can accurately describe polariton states in a realistic molecule–cavity hybrid system. We then discuss applications using these method advancements. We review advancements in polariton photochemistry where the cavity is made resonant to electronic transitions to control molecular nonadiabatic excited state dynamics and enable new photochemical reactivities. When the cavity resonance is tuned to the molecular vibrations instead, ground-state chemical reaction modifications have been demonstrated experimentally, though its mechanistic principle remains unclear. We present some recent theoretical progress in resolving this mystery. Finally, we review the recent advances in understanding the collective coupling regime between light and matter, where many molecules can collectively couple to a single cavity mode or many cavity modes. We also lay out the current challenges in theory to explain the observed experimental results. We hope that this review will serve as a useful document for anyone who wants to become familiar with the context of polariton chemistry and molecular cavity QED and thus significantly benefit the entire community.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Transit Rider/Travel Behavior Inventory Survey - Minneapolis-St. Paul Metro - 2005

The survey was an on-board survey of transit riders on all regular route services for bus and light-rail in the Minneapolis-Saint Paul metropolitan area. The primary purpose of the study was to gather the data needed to update the mode choice models that are an integral component of the regional travel forecast model maintained by the Metropolitan Council, the metropolitan planning organization for the Minneapolis-Saint Paul metropolitan area. The survey instrument focused on identifying characteristics of the trip taken by each transit rider, including origin, destination, trip purpose, and mode of access. The survey also collected relevant socioeconomic and demographic information.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Understanding Aitken Mode Aerosol Variability over the Southern Ocean and Antarctica: Insights from Cloud Condensation Nuclei Data

Aitken mode aerosol particles play an important role influencing cloud properties and sustenance, acting as a reservoir of potential cloud condensation nuclei against precipitation scavenging. However, there is limited data on Aitken mode aerosols. In this study, we develop a method to estimate Aitken mode aerosol concentrations and size distribution using cloud condensation nuclei measurements (CCN) and κ-Köhler theory. The performance of this method is evaluated using scanning mobility particle sizer (SMPS) data from recent field campaigns to demonstrate its skills and applicability. The method reasonably estimates Aitken- and accumulation-mode aerosol concentrations, achieving correlations of 0.7–0.9 with only modest biases (mean fractional bias within ±23% for Aitken mode and ±34% for accumulation-mode). This method is further applied to measurements collected over the Southern Ocean and Antarctica in recent years from multiple platforms, including ground sites, aircraft, and ships, to derive Aitken and accumulation-mode aerosol concentrations. Using the derived data, we examine the seasonal cycle, latitudinal variations, and vertical distribution of aerosols. Aitken mode aerosol concentrations are elevated over the Southern Ocean and Antarctica during the austral summer similar to the accumulation mode. In the austral summer, the free troposphere has more Aitken mode aerosols and fewer accumulation mode aerosols than the boundary layer, and thus likely serves as an important source of cloud-forming aerosol while also diluting the accumulation mode.

Kang, Litai [University of Washington] (ORCID:0000↗

DOE OSTI2023

The theory of kinetic effects on resistive wall mode stability in tokamaks

Tokamak fusion plasmas benefit from high pressures but are then susceptible to modes of instability. These magnetohydrodynamic (MHD) modes are macroscopic distortions of the plasma, but certain collective motions of individual particles can provide stabilizing effects opposing them. The presence of a resistive wall slows the mode growth, converting a kink to a resistive wall mode (RWM). A kinetic MHD model includes Maxwell's equations, ideal MHD constraints, and kinetic effects included through the pressure tensor, calculated with the perturbed drift-kinetic distribution function of the particles. The kinetic stabilizing effects on the RWM arise through resonances between the plasma rotation and particle drift motions: precession, bounce, and transit. A match between particle motions and the mode allows efficient transfer of energy that would otherwise drive the growth of the mode, thus damping the growth. The first approach to calculating RWM stability is to write a set of equations for the complex mode frequency in terms of known quantities and then to solve the system. The “energy principle” approach, which has the advantage of clarity in distinguishing the various stabilizing and destabilizing effects, is to change the force balance equation into an equation in terms of changes of kinetic and potential energies, and then to write a dispersion relation for the mode frequency in terms of those quantities. These methods have been used in various benchmarked codes to calculate kinetic effects on RWM stability. Importantly, the theory has illuminated the important roles of plasma rotation, energetic particles, and collisions in RWM stability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Decay and renormalization of a longitudinal mode in a quasi-two-dimensional antiferromagnet

Abstract An ongoing challenge in the study of quantum materials, is to reveal and explain collective quantum effects in spin systems where interactions between different modes types are important. Here we approach this problem through a combined experimental and theoretical study of interacting transverse and longitudinal modes in an easy-plane quantum magnet near a continuous quantum phase transition. Our inelastic neutron scattering measurements of Ba 2 FeSi 2 O 7 reveal the emergence, decay, and renormalization of a longitudinal mode throughout the Brillouin zone. The decay of the longitudinal mode is particularly pronounced at the zone center. To account for the many-body effects of the interacting low-energy modes in anisotropic magnets, we generalize the standard spin-wave theory. The measured mode decay and renormalization is reproduced by including all one-loop corrections. The theoretical framework developed here is broadly applicable to quantum magnets with more than one type of low energy mode.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Single-electron charge transfer into putative Majorana and trivial modes in individual vortices

Majorana bound states are putative collective excitations in solids that exhibit the self-conjugate property of Majorana fermions—they are their own antiparticles. In iron-based superconductors, zero-energy states in vortices have been reported as potential Majorana bound states, but the evidence remains controversial. Here, we use scanning tunneling noise spectroscopy to study the tunneling process into vortex bound states in the conventional superconductor NbSe 2 , and in the putative Majorana platform FeTe 0.55 Se 0.45 . We find that tunneling into vortex bound states in both cases exhibits charge transfer of a single electron charge. Our data for the zero-energy bound states in FeTe 0.55 Se 0.45 exclude the possibility of Yu–Shiba–Rusinov states and are consistent with both Majorana bound states and trivial vortex bound states. Our results open an avenue for investigating the exotic states in vortex cores and for future Majorana devices, although further theoretical investigations involving charge dynamics and superconducting tips are necessary.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Search for hadronic decays of feebly-interacting particles at NA62

The NA62 experiment at CERN has the capability to collect data in a beam-dump mode, where 400 GeV protons are dumped on an absorber. In this configuration, New Physics particles, including dark photons, dark scalars, and axion-like particles, may be produced in the absorber and decay in the instrumented volume beginning approximately 80 m downstream of the dump. A search for these particles decaying in flight to hadronic final states is reported, based on an analysis of a sample of 1.4 x 10 17 protons on dump collected in 2021. No evidence of a New Physics signal is observed, excluding new regions of parameter spaces of multiple models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Collective Vibrational Strong Coupling Effects on Molecular Vibrational Relaxation and Energy Transfer: Numerical Insights via Cavity Molecular Dynamics Simulations**

Abstract For a small fraction of hot CO 2 molecules immersed in a liquid‐phase CO 2 thermal bath, classical cavity molecular dynamics simulations show that forming collective vibrational strong coupling (VSC) between the C=O asymmetric stretch of CO 2 molecules and a cavity mode accelerates hot‐molecule relaxation. This acceleration stems from the fact that polaritons can be transiently excited during the nonequilibrium process, which facilitates intermolecular vibrational energy transfer. The VSC effects on these rates 1) resonantly depend on the cavity mode detuning, 2) cooperatively depend on Rabi splitting, and 3) collectively scale with the number of hot molecules. For larger cavity volumes, the average VSC effect per molecule can remain meaningful for up to N ≈10 4 molecules forming VSC. Moreover, the transiently excited lower polariton prefers to relax by transferring its energy to the tail of the molecular energy distribution rather than distributing it equally to all thermal molecules. As far as the parameter dependence is concerned, the vibrational relaxation data presented here appear analogous to VSC catalysis in Fabry–Pérot microcavities.

Li, Tao E.↗

DOE OSTI2021

Collective Vibrational Strong Coupling Effects on Molecular Vibrational Relaxation and Energy Transfer: Numerical Insights via Cavity Molecular Dynamics Simulations**

Li, Tao E.↗