Results for “collective modes” — Page 6

DOE OSTI2022

Fragment Intrinsic Spins and Fragments’ Relative Orbital Angular Momentum in Nuclear Fission

In this work, we present the first fully unrestricted microscopic calculations of the primary fission fragment intrinsic spins and of the fission fragments’ relative orbital angular momentum for 236 U*, 240 Pu*, and 252 Cf using the time-dependent density functional theory framework. Within this microscopic approach, free of restrictions and unchecked assumptions and which incorporates the relevant physical observables for describing fission, we evaluate the triple distribution of the fission fragment intrinsic spins and of their fission fragments’ relative orbital angular momentum and show that their dynamics is dominated by their bending collective modes in contradistinction to the predictions of the existing phenomenological models and some interpretations of experimental data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Degradation of Phonons in Disordered Moiré Superlattices

The elastic collective modes of a moiré superlattice arise not from vibrations of a rigid crystal but from the relative displacement between the constituent layers. Despite their similarity to acoustic phonons, these modes, called phasons, are not protected by any conservation law. Furthermore, we show that disorder in the relative orientation between the layers and thermal fluctuations associated with their sliding motion degrade the propagation of sound in the moiré superlattice. Specifically, the phason modes become overdamped at low energies and acquire a finite gap, which displays a universal dependence on the twist-angle variance. Thus, twist-angle inhomogeneity is manifested not only in the non-interacting electronic structure of moiré systems, but also in their phonon-like modes. More broadly, our results have important implications for the electronic properties of twisted moiré systems that are sensitive to the electron-phonon coupling.

2-dimensional systems↗

DOE OSTI2022

Size-Dependent Nucleation in Crystal Phase Transition from Machine Learning Metadynamics

In this Letter, we present a framework that combines machine learning potential (MLP) and metadynamics to investigate solid-solid phase transition. Here, based on the spectral descriptors and neural networks regression, we develop a scalable MLP model to warrant an accurate interpolation of the energy surface where two phases coexist. Applying it to the simulation of B4–B1 phase transition of GaN under 50 GPa with different model sizes, we observe sequential change of the phase transition mechanism from collective modes to nucleation and growths. When the size is at or below 128 000 atoms, the nucleation and growth appear to follow a preferred direction. At larger sizes, the nuclei occur at multiple sites simultaneously and grow to microstructures by passing the critical size. The observed change of the atomistic mechanism manifests the importance of statistical sampling with large system size in phase transition modeling.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Diverse Manifestations of Electron-Phonon Coupling in a Kagome Superconductor

Recent angle-resolved photoemission spectroscopy (ARPES) experiments on the kagome metal CsV_{3}Sb_{5} revealed distinct multimodal dispersion kinks and nodeless superconducting gaps across multiple electron bands. The prominent photoemission kinks suggest a definitive coupling between electrons and certain collective modes, yet the precise nature of this interaction and its connection to superconductivity remain to be established. Here, employing the state-of-the-art ab initio many-body perturbation theory computation, we present direct evidence that electron-phonon (e-ph) coupling induces the multimodal photoemission kinks in CsV_{3}Sb_{5}, and profoundly, drives the nodeless s-wave superconductivity, showcasing the diverse manifestations of the e-ph coupling. Our calculations well capture the experimentally measured kinks and their fine structures, and reveal that vibrations from different atomic species dictate the multimodal behavior. Results from anisotropic GW-Eliashberg equations predict a phonon-mediated superconductivity with nodeless s-wave gaps, in excellent agreement with various ARPES and scanning tunneling spectroscopy measurements. Despite the universal origin of the e-ph coupling, the contributions of several characteristic phonon vibrations vary in different phenomena, highlighting a versatile role of e-ph coupling in shaping the low-energy excitations of kagome metals.

Electron-phonon coupling↗

DOE OSTI2024

Electronic interactions in Dirac fluids visualized by nano-terahertz spacetime interference of electron-photon quasiparticles

Ultraclean graphene at charge neutrality hosts a quantum critical Dirac fluid of interacting electrons and holes. Interactions profoundly affect the charge dynamics of graphene, which is encoded in the properties of its electron-photon collective modes: surface plasmon polaritons (SPPs). Here, we show that polaritonic interference patterns are particularly well suited to unveil the interactions in Dirac fluids by tracking polaritonic interference in time at temporal scales commensurate with the electronic scattering. Spacetime SPP interference patterns recorded in terahertz (THz) frequency range provided unobstructed readouts of the group velocity and lifetime of polariton that can be directly mapped onto the electronic spectral weight and the relaxation rate. Our data uncovered prominent departures of the electron dynamics from the predictions of the conventional Fermi-liquid theory. The deviations are particularly strong when the densities of electrons and holes are approximately equal. The proposed spacetime imaging methodology can be broadly applied to probe the electrodynamics of quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Dark Matter Candidates of a Very Low Mass

We review dark matter (DM) candidates of a very low mass appearing in the window below the traditional weakly interacting massive particle (m χ ≲ 10 GeV) and extending down to m χ ≳ 1 meV, somewhat below the mass limit at which DM becomes wavelike. Such candidates are motivated by hidden sectors such as hidden valleys, which feature hidden forces and rich dynamics, but have evaded traditional accelerator searches for New Physics because of their relatively weak coupling to the Standard Model (SM). Such sectors can still be detected through dedicated low-energy colliders, which, through their intense beams, can have sensitivity to smaller couplings, or through astrophysical observations of the evolution of DM halos and stellar structures, which, through the Universe's epochs, can be sensitive to small DM interactions. We also consider mechanisms whereby the DM abundance is fixed through the interaction with the SM, which directly motivates the search for light DM in terrestrial experiments. The bulk of this review is dedicated to the new ideas that have been proposed for direct detection of such DM candidates of a low mass through nuclear recoils, electronic excitations, or collective modes such as phonons and magnons. The rich tapestry of materials and modes in the condensed matter landscape is reviewed along with specific prospects for detection.

Physics↗

DOE OSTI2024

Correlation Between Microscopic Current Fluctuations Observed at Ultra-Microelectrodes and Macroscopic Bulk Electrolysis Performance in Redox-Active Microemulsions

Microemulsions (μEs) have been proposed as redox flow battery (RFB) electrolytes that maximize ionic conductivity and charge capacity by synergizing two immiscible phases. However, charge transfer during electrolysis in μEs is poorly understood. Here, we show that ultramicroelectrode electrolysis of ferrocene-loaded μEs –20%, 60%, and 90% water - reveals stochastic current fluctuations. These are differentiated in the scanning electrochemical microscopy (SECM) geometry, where power spectral density analysis showed distinct changes in the frequency contributions. SECM in the substrate generation-tip collection mode showed that fluctuations arise under mass-transfer control. Significant differences in the diffusion coefficient of ferrocene species were deducted from SECM approach curves, suggesting phase transfer behavior. Using bulk electrolysis, we calculated the charge accessibility and cycling behavior in the μEs. A decrease in the stochastic behavior of the μEs seems to correlate to a higher accessibility and cycling performance, with the 90% water μE displaying the best reversibility and the 60% the lowest. Altogether, these results suggest that Marangoni-type convection driven by concentration gradients and/or μE restructuring during charge transfer play a role in the electrochemical performance of μEs. This presents opportunities for screening and diagnosing the performance of these emerging RFB electrolytes.

25 ENERGY STORAGE↗

DOE OSTI2024

Theoretical Studies of Polar Systems near Ferroelectrics Quantum Critical Points (Final Report)

The PI has studied emergent quantum phases near polar quantum critical points. A first challenge was to develop a theoretical description of the observation that many polar materials undergo classical first-order transitions while displaying quantum criticality. The possibility of novel metallic states near polar quantum critical points was then studied; identification and characterization of a non-Fermi liquid phase was made in a multiband system. In dilute quantum critical polar metals, electronic coupling to polar energy fluctuations was shown to result in attractive electron-electron interactions and to superconductivity. A spin-phonon resonance measurement in applied magnetic field was proposed to determine the magnitude of spin-orbit mediated electron-phonon coupling; furthermore in the polar phase new field-induced phonon collective modes were identified with specific signatures for experiment. In order to keep current, the PI has also worked on other types of strongly correlated problems. With experimental groups, she has developed phenomenologies to identify and explain observed dynamical critical behaviors. The PI has studied the interplay of topology, fractionalization and deconfinement in a minimalist spin model. An emergent phase transition in a 1 + 1 frustrated spin nanotube has also been identified and characterized. The PI has also begun exploring criticality out of equilibrium, characterizing rich dynamical phases associated with photoinduced polar transitions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Direct reactions with the AT-TPC

Direct reactions are crucial tools for accessing properties of the atomic nucleus. Fundamental and exotic phenomena such as collective modes, pairing, weakbinding effects and evolution of single-particles energies can be investigated in peripheral collisions between a heavy nucleus and a light target. The necessity of using inverse kinematics to reveal how these structural properties change with isospin imbalance renders direct reactions a challenging technique when using the missing mass method. In this scenario, Active Target Time Projection Chambers (AT-TPC) have demonstrated an outstanding performance in enabling these types of reactions even under conditions of very low beam intensities. The AT-TPC of the Facility for Rare Isotope Beams (FRIB) is a next generation multipurpose Active Target. When operated inside a solenoidal magnet, direct reactions benefit from the measurement of the magnetic rigidity that enables particle identification and the determination of the excitation energy with high resolution without the need of auxiliary detectors. Additionally, the AT-TPC can be coupled to a magnetic spectrometer improving even further its spectroscopic investigation capability. In this contribution, we discuss inelastic scattering and transfer reaction data obtained via the AT-TPC and compare them to theory. In particular, we present the results for the 14 C(p,p′) and 12 Be (p,d) 11 Be reactions. For 14 C, we compare the experimental excitation energy of the first 1 – excited state with coupled-cluster calculationsbased on nuclear interactions from chiral effective field theory and with available shell-model predictions. For 12 Be, we determine the theoretical spectroscopic factors of the 12 Be (p,d) 11 Be transfer reaction in the shell modeland compare them to the experimental excitation spectrum from a qualitative standpoint.

active target↗

DOE OSTI2022

Altering Terahertz Sound Propagation in a Liquid upon Nanoparticle Immersion

One of the grand challenges of new generation Condensed Matter physicists is the development of novel devices enabling the control of sound propagation at terahertz frequency. Indeed, phonon excitations in this frequency window are the leading conveyor of heat transfer in insulators. Their manipulation is thus critical to implementing heat management based on the structural design. To explore the possibility of controlling the damping of sound waves, we used high spectral contrast Inelastic X-ray Scattering (IXS) to comparatively study terahertz acoustic damping in a dilute suspension of 50 nm nanospheres in glycerol and on pure glycerol. Bayesian inference-based modeling of measured spectra indicates that, at sufficiently large distances, the spectral contribution of collective modes in the glycerol suspension becomes barely detectable due to the enhanced damping, the weakening, and the slight softening of the dominant acoustic mode.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Electronic structure of compressively strained thin film La$_2$PrNi$_2$O$_7$

The discovery of superconductivity in the bulk nickelates under high pressure is a major advance in physics. The recent observation of superconductivity at ambient pressure in compressively strained bilayer nickelate thin films has now enabled direct characterization of the superconducting phase through angle resolved photoemission spectroscopy (ARPES). Here we present an in-situ ARPES study of compressively strained La$_2$PrNi$_2$O$_7$ films grown by oxide molecular beam epitaxy, and the ozone treated counterparts with an onset T$_c$ of 40 K, supplemented with results from pulsed laser deposition films with similar T$_c$. We resolve a systematic strain-driven electronic band shift with respect to that of bulk crystals, in qualitative agreement with density functional theory (DFT) calculations. However, the strongly renormalized flat 3$d_{z2}$ band shifts a factor of 5-10 smaller than anticipated by DFT. Furthermore, it stays ~70 meV below the Fermi level, contradicting the expectation that superconductivity results from the high density of states of this band at the Fermi level. We also observed a non-trivial k$_z$ dispersion of the cuprate-like 3$d_{x2-y2}$ band. Combined with results from both X-ray diffraction and DFT, we suggest that the strained films are under ~5 GPa effective pressure, considerably larger than the naïve expectation from the DFT relaxed structure. Finally, the ~70 meV energy position is intriguingly close to the collective mode coupling more prominently seen in thin films, in the energy range of both oxygen related phonons and the maximum of the spin excitation spectrum.

FOS: Physical sciences↗

DOE OSTI2023

Volatility-resolved chemical characterization of airborne particles

A method and apparatus for evaluating the chemical composition of airborne particles by sequentially collecting and analyzing airborne particles in-situ. The method includes: collecting particles; enlarging the particles through water condensation; accelerating the enlarged particles onto a surface to collect enlarged particles; and analyzing the enlarged particles by: isolating the surface; passing a carrier gas over the surface; heating the surface to thermally desorb collected particles into the carrier gas; transporting this evolved vapor into detectors; and assaying the evolved vapor as a function of a desorption temperature. The apparatus includes: a sample flow inlet; a condensational growth tube; a collection and thermal desorption (CTD) cell; a carrier gas source; a heater coupled to the CTD; one or more gas detectors; and a controller configured to operate valves, the heater, the growth tube, and the CTD cell in at least an in-situ sequential collection mode and analysis mode.

Isaacman-VanWertz, Gabriel↗

DOE OSTI2026

Optimizing Neutrino Flavor Conversion Measurements through Machine Learning

The phenomenon of neutrino flavor conversion whereby the flavor of a neutrino particle can change between its time of production and later detection was the first definitive evidence of physics beyond the Standard Model. Some of the oscillation parameters used to describe this conversion are not yet well measured, leaving important questions still open regarding flavor conversion both in vacuum and as neutrinos travel through matter. NOvA is a long-baseline neutrino oscillation experiment that uses Fermilab's predominantly $\nu_\mu$ NuMI beam. A 14 kton oil-based liquid scintillator far detector 810 km away is used to measure neutrino oscillation through the $\nu_\mu$ disappearance and $\nu_e$ appearance channels. Super-K is a 50 kton water Cherenkov detector, which measures the disappearance of $\nu_e$ produced during solar fusion. The high density environment of the sun decreases the $\nu_e$ survival probability at higher energies observable in Super-K compared to the vacuum-dominated oscillations at lower energies. However, the transition region is overshadowed by radioactive background in the detector. In both of these experiments, the separation of neutrino detection events from background and classification of neutrino flavor are crucial tasks that benefit from the introduction of machine learning. Chapter 1 gives an overview of neutrinos and the context under which flavor conversion is measured in this dissertation. Chapters 2-7 present the results of a Bayesian sampling approach for the latest NOvA 3-flavor oscillation analysis with $26.6 \times 10^{20}$ protons on target in neutrino mode and $12.5 \times 10^{20}$ in antineutrino mode collected over 10 years. Chapters 8-13 present the results of extending the Super-K solar analysis to lower energies during its fourth phase with 2970 days of livetime.

Yankelevich, Alejandro Jaime [UC, Irvine]↗

DOE OSTI2026

Optimizing Neutrino Flavor Conversion Measurements through Machine Learning

The phenomenon of neutrino flavor conversion whereby the flavor of a neutrino particle can change between its time of production and later detection was the first definitive evidence of physics beyond the Standard Model. Some of the oscillation parameters used to describe this conversion are not yet well measured, leaving important questions still open regarding flavor conversion both in vacuum and as neutrinos travel through matter. NOvA is a long-baseline neutrino oscillation experiment that uses Fermilab's predominantly $\nu_\mu$ NuMI beam. A 14 kton oil-based liquid scintillator far detector 810 km away is used to measure neutrino oscillation through the $\nu_\mu$ disappearance and $\nu_e$ appearance channels. Super-K is a 50 kton water Cherenkov detector, which measures the disappearance of $\nu_e$ produced during solar fusion. The high density environment of the sun decreases the $\nu_e$ survival probability at higher energies observable in Super-K compared to the vacuum-dominated oscillations at lower energies. However, the transition region is overshadowed by radioactive background in the detector. In both of these experiments, the separation of neutrino detection events from background and classification of neutrino flavor are crucial tasks that benefit from the introduction of machine learning. Chapter 1 gives an overview of neutrinos and the context under which flavor conversion is measured in this dissertation. Chapters 2-7 present the results of a Bayesian sampling approach for the latest NOvA 3-flavor oscillation analysis with $26.6 \times 10^{20}$ protons on target in neutrino mode and $12.5 \times 10^{20}$ in antineutrino mode collected over 10 years. Chapters 8-13 present the results of extending the Super-K solar analysis to lower energies during its fourth phase with 2970 days of livetime.

Yankelevich, Alejandro Jaime [UC, Irvine]↗

DOE OSTI2026

Optimizing Neutrino Flavor Conversion Measurements through Machine Learning

The phenomenon of neutrino flavor conversion whereby the flavor of a neutrino particle can change between its time of production and later detection was the first definitive evidence of physics beyond the Standard Model. Some of the oscillation parameters used to describe this conversion are not yet well measured, leaving important questions still open regarding flavor conversion both in vacuum and as neutrinos travel through matter. NOvA is a long-baseline neutrino oscillation experiment that uses Fermilab's predominantly $\nu_\mu$ NuMI beam. A 14 kton oil-based liquid scintillator far detector 810 km away is used to measure neutrino oscillation through the $\nu_\mu$ disappearance and $\nu_e$ appearance channels. Super-K is a 50 kton water Cherenkov detector, which measures the disappearance of $\nu_e$ produced during solar fusion. The high density environment of the sun decreases the $\nu_e$ survival probability at higher energies observable in Super-K compared to the vacuum-dominated oscillations at lower energies. However, the transition region is overshadowed by radioactive background in the detector. In both of these experiments, the separation of neutrino detection events from background and classification of neutrino flavor are crucial tasks that benefit from the introduction of machine learning. Chapter 1 gives an overview of neutrinos and the context under which flavor conversion is measured in this dissertation. Chapters 2-7 present the results of a Bayesian sampling approach for the latest NOvA 3-flavor oscillation analysis with $26.6 \times 10^{20}$ protons on target in neutrino mode and $12.5 \times 10^{20}$ in antineutrino mode collected over 10 years. Chapters 8-13 present the results of extending the Super-K solar analysis to lower energies during its fourth phase with 2970 days of livetime.

Yankelevich, Alejandro Jaime [UC, Irvine] (ORCID:0↗

DOE OSTI2020

Chemical Imaging of Fine Mode Atmospheric Particles Collected from a Research Aircraft over Agricultural Fields

Vegetation and crops in agricultural areas are a significant source of both biogenic secondary organic aerosols and of directly emitted primary biological atmospheric particles (PBAPs) composed of plant fragments/debris, fungal spores, pollen, and bacteria among others. Seasonal crop harvesting significantly intensifies regional PBAP emissions and aerosolizes soil organic matter and dust particulates. In this paper, the atmospheric contributions and impact of PBAPs have been insufficiently investigated due to limited real-time observations and ambiguity in their detection by existing measurement techniques. We collected ambient particles on-board an instrumented Beechcraft BE76 Duchess research aircraft flying above actively harvested agriculture fields of corn and soybean crops. In this work, particle samples were analyzed using complementary chemical imaging techniques, including computer-controlled scanning electron microscopy coupled with elemental microanalysis to describe particle-type population and scanning transmission X-ray microscopy to provide quantitative metrics on particle internal heterogeneity. We show the particle-class contribution is consistent between corn and soybean harvesting across altitudes of 100–300 m AGL. The contribution of PBAPs in the size range of 0.15–1.25 μm is estimated to be 10–12% of ~39,000 analyzed particles. Determining viscosity with X-ray microanalysis has shown that the fine-mode organic particles collected are viscous/semisolid (10 2 –10 12 Pa s) while the majority of PBAP fragments are solid (>10 12 Pa s). The observation of submicrometer, solid carbonaceous fragments of biogenic origin has implications for the regional cloud condensation nuclei and ice nuclei budget. Therefore, seasonal harvesting of crops may play an important, yet unrecognized, role in regional cloud formation and climate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Chemical Imaging of Fine Mode Atmospheric Particles Collected from a Research Aircraft over Agricultural Fields

Explore the source record for details and available documents.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Fourier coefficients of noninterdependent collective motions in heavy-ion collisions

Here, we present a scenario in heavy-ion collisions where different modes of collective motions are noninterdependent, driven by factorized actions in the created nuclear medium. Such physics mechanisms could each dominate at a distinct evolution stage, or coexist simultaneously. If the probability of particle emission is modulated by each nondependent collective motion with a single-harmonic Fourier expansion, the particle azimuthal distribution should be the product of all these expansions. Consequently, nonleading cross terms between collectivity modes appear, and their contributions to experimental observables could be significant. In particular, we argue that the chiral magnetic effect (CME) and elliptic flow can develop separately, with their convolution affecting the observable that is sensitive to the shear-induced CME. We will use the event-by-event anomalous-viscous fluid dynamics model to illustrate the effects of this scenario. Besides giving insights into searches for the CME, we also propose feasible experimental tests based on conventional flow harmonics, and demonstrate the emergence of nonleading cross terms with a multiphase transport model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗