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At least 127 records · Page 7

Global adjoint tomography—model GLAD-M25

SUMMARY Building on global adjoint tomography model GLAD-M15, we present transversely isotropic global model GLAD-M25, which is the result of 10 quasi-Newton tomographic iterations with an earthquake database consisting of 1480 events in the magnitude range 5.5 ≤ Mw ≤ 7.2, an almost sixfold increase over the first-generation model. We calculated fully 3-D synthetic seismograms with a shortest period of 17 s based on a GPU-accelerated spectral-element wave propagation solver which accommodates effects due to 3-D anelastic crust and mantle structure, topography and bathymetry, the ocean load, ellipticity, rotation and self-gravitation. We used an adjoint-state method to calculate Fréchet derivatives in 3-D anelastic Earth models facilitated by a parsimonious storage algorithm. The simulations were performed on the Cray XK7 ‘Titan’ and the IBM Power 9 ‘Summit’ at the Oak Ridge Leadership Computing Facility. We quantitatively evaluated GLAD-M25 by assessing misfit reductions and traveltime anomaly histograms in 12 measurement categories. We performed similar assessments for a held-out data set consisting of 360 earthquakes, with results comparable to the actual inversion. We highlight the new model for a variety of plumes and subduction zones.

58 GEOSCIENCES↗

Interplay of 𝑑- and 𝑝-states in RbTi3⁢Bi5 and CsTi3⁢Bi5 flat-band kagome metals

Shifting the Fermi level of the celebrated 𝐴⁢𝑀3⁢𝑋5 (135) compounds into proximity of flat bands strongly enhances electronic correlations and severely affects the formation of density waves and superconductivity. Our broadband infrared spectroscopy measurements of RbTi3⁢Bi5 and CsTi3⁢Bi5 combined with density-functional band-structure calculations reveal that the correlated Ti 𝑑-states are intricately coupled with the Bi 𝑝-states that form a tilted Dirac crossing. Electron-phonon coupling manifests itself in the strong damping of itinerant carriers and in the anomalous shape of the phonon line in RbTi3⁢Bi5. An anomaly in these spectral features around 150 K can be paralleled to the onset of nematicity detected by low-temperature probes. Our findings show that the materials with low band filling open unexplored directions in the physics of kagome metals and involve electronic states of different nature strongly coupled with lattice dynamics.

Wenzel, Matthew [ORNL]↗

Phase transitions at unusual values of θ

We calculate the θ dependence in a cousin of QCD, where the vacuum structure can be analyzed exactly. The theory is $\mathcal{N}$ = 2 SU(2) gauge theory with N F = 0, 1, 2, 3 flavors of fundamentals, explicitly broken to $\mathcal{N}$ = 1 via an adjoint superpotential, and coupled to anomaly mediated supersymmetry breaking (AMSB). The hierarchy m AMSB ≪ μ 𝒩=1 ≪ Λ ensures the validity of our IR analysis. As expected from ordinary QCD, the vacuum energy is a function of θ which undergoes 1st order phase transitions between different vacua where the various dyons condense. For N F = 0 we find the expected phase transition at θ = π, while for N F = 1, 2, 3 we find phase transitions at fractional values of π.

Extended Supersymmetry↗

Measurement of the anomalous spin precession frequency $\omega_a$ in the Muon $g-2$ experiment at Fermilab

The muon anomaly, $a_\mu=(g_{\mu}-2)/2$, is a low-energy observable which can be both measured and computed to high precision, making it a sensitive test of the Standard Model (SM) and a probe for new physics. The current discrepancy between the experimental value and the Standard Model calculation from the Muon $g-2$ Theory Initiative is $a_{\mu}^{exp}-a_{\mu}^{SM}=(251\pm59)\cdot10^{-11}$, with a significance of $4.2\,\sigma$.The Fermilab E989 experiment aims, with the full statistical power, to improve by a factor of four the precision of the measurement.In April 2021 the collaboration published the first measurement, based on the first year of data taking.This paper will present the status of the measurement of the anomalous muon spin precession frequency, $\omega_a$, performed on the datasets collected during Run-2 and Run-3 (2019 and 2020 campaigns), with a preliminary projection of the systematic uncertainties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Anomalous ellipticity dependence of the generation of near-threshold harmonics in noble gases

We measured the ellipticity dependence of the harmonic yield of He, Ne, Ar, Kr, and Xe. It is found that the harmonic yield in general decreases monotonically with increasing laser ellipticity but anomalous dependence does occur for each atom for some harmonic orders. Additionally, we found that the degree of anomaly is weakest in helium but is stronger for the heavier atoms. The anomaly also depends on laser intensity. To explain these features, we developed a quantum trajectory Monte Carlo (QTMC) model based on the quantum path integral theory to study high-order harmonic generation (HHG). The model includes the effect of Coulomb potential from the target ion, thus it is capable of calculating near-threshold harmonics quantitatively. This model reveals that the presence of Coulomb potential would generate orbiting trajectories which are responsible for the anomalous ellipticity dependence near the threshold.

74 ATOMIC AND MOLECULAR PHYSICS↗

Phonon dispersion throughout the iron spin crossover in ferropericlase

Ferropericlase (Fp), (Mg 1– x Fex)O, is the second most abundant phase in the Earth's lower mantle. At relevant pressure-temperature conditions, iron in Fp undergoes a high spin (HS), $\textit{S}$ = 2, to low spin (LS), $\textit{S}$ = 0, state change. The nature of this phenomenon is quite well understood now, but there are still basic questions regarding the structural stability and the existence of soft phonon modes during this iron state change. General theories exist to explain the volume reduction, the significant thermoelastic anomalies, and the broad nature of this HS-LS crossover. These theories make extensive use of the quasiharmonic approximation. Therefore, dynamical and structural stability is essential to their validity. Here, we investigate the vibrational spectrum of Fp throughout this spin crossover using ab initio density-functional theory $+U_{sc}$ calculations. We address vibrational modes associated with isolated and (second-)nearest-neighbor iron ions undergoing the HS-LS state change. As expected, acoustic modes of this solid solution are resilient, while optical modes are the most affected. In this work, we show that there are no soft phonon modes across this HS-LS crossover, and Fp is dynamically stable at all relevant pressures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A protocol for calculating basal melt rates in the ISMIP6 Antarctic ice sheet projections

Climate model projections have previously been used to compute ice shelf basal melt rates in ice sheet models, but the strategies employed – e.g., ocean input, parameterization, calibration technique, and corrections – have varied widely and are often ad hoc. Here, a methodology is proposed for the calculation of circum-Antarctic basal melt rates for floating ice, based on climate models, that is suitable for ISMIP6, the Ice Sheet Model Intercomparison Project for CMIP6 (6th Coupled Model Intercomparison Project). The past and future evolution of ocean temperature and salinity is derived from a climate model by estimating anomalies with respect to the modern day, which are added to a present-day climatology constructed from existing observational datasets. Temperature and salinity are extrapolated to any position potentially occupied by a simulated ice shelf. A simple formulation is proposed for a basal melt parameterization in ISMIP6, constrained by the observed temperature climatology, with a quadratic dependency on either the nonlocal or local thermal forcing. Two calibration methods are proposed: (1) based on the mean Antarctic melt rate (MeanAnt) and (2) based on melt rates near Pine Island's deep grounding line (PIGL). Future Antarctic mean melt rates are an order of magnitude greater in PIGL than in MeanAnt. The PIGL calibration and the local parameterization result in more realistic melt rates near grounding lines. PIGL is also more consistent with observations of interannual melt rate variability underneath Pine Island and Dotson ice shelves. This work stresses the need for more physics and less calibration in the parameterizations and for more observations of hydrographic properties and melt rates at interannual and decadal timescales.

54 ENVIRONMENTAL SCIENCES↗

Effective field theory of Stückelberg vector bosons

We explore the effective field theory of a vector field $X^μ$ that has a Stückelberg mass. The absence of a gauge symmetry for $X^μ$ implies Lorentz-invariant operators are constructed directly from Xμ. Beyond the kinetic and mass terms, allowed interactions at the renormalizable level include $X_μX^μH^†H, (X_μX^μ)^2$, and $X_μj^μ$, where $j^μ$ is a global current of the SM or of a hidden sector. We show that all of these interactions lead to scattering amplitudes that grow with powers of $\sqrt{s}/m_X$, except for the case of $X_μj^μ$ where $j^μ$ is a nonanomalous global current. The latter is well-known when $\textit{X}$ is identified as a dark photon coupled to the electromagnetic current, often written equivalently as kinetic mixing between $\textit{X}$ and the photon. The power counting for the energy growth of the scattering amplitudes is facilitated by isolating the longitudinal enhancement. We examine in detail the interaction with an anomalous global vector current $X_μj^μ_{\text{anom}}$, carefully isolating the finite contribution to the fermion triangle diagram. We calculate the longitudinally-enhanced observables $Z → X_γ$ (when $m_X < m_Z), f\bar{f} → X_γ$, and $Z_γ → Z_γ$ when $\textit{X}$ couples to the baryon number current. Introducing a "fake" gauge-invariance by writing $X^μ = A^μ – ∂^μπ/m_X$, the would-be gauge anomaly associated with $A_μj^μ_{\text{anom}}$ is canceled by $j^μ_{\text{anom}}∂_μπ/m_X$; this is the four-dimensional Green-Schwarz anomaly-cancellation mechanism at work. Our analysis demonstrates there is a much larger set of possible interactions that an EFT with a Stückelberg vector field can have, revealing scattering amplitudes that grow with energy. The growth of these amplitudes can be tamed by a dark Higgs sector, but this requires dark Higgs boson interactions (and reintroduces fine-tuning in the dark Higgs sector) that can be separated from X interactions only in the limit $g \ll 1$ .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A Distributed Trust Model Simulator for Energy Grid of Things Distributed Energy Resource Management System

The evolution of networks into more distributed, self-reliant nodes has mitigated single-point failures that plagued traditional centralized networks. Applied to power grids, distributed systems can increase the integrity and availability of grid services while also offering a power management solution. However, while distributed networks provide scalability, security, and sustainability compared to centralized networks, their distributed nature makes them harder for anomaly detection and prevention. Incorporating a Distributed Trust Model (DTM) System into an Energy Grid of Things Distributed Energy Resource Management System (EGOT DERMS) allows grid participants to be characterized and their communication to be analyzed for possible attacks. A Trust Model simulator is needed to evaluate and improve the DTM System.Trustworthiness is calculated using a Trust Model. While many trust models exist, most only consider 2-3 matrices to evaluate trust. The TM proposed in this thesis uses a Metric Vector of Trust (MVoT) monitoring 17 parameters when assessing trust. Moreover, unlike standard trust models, the proposed trust model establishes a method to test the trust between various actors within the network and probe the trust model itself. Using a Trust Model Simulator, MVoT calaculations, initial values, and parameters are fine-tuned to achieve high-confidence message classifications and minimize false positives. The DTM System and Trust Mode Simulation Suite allow for distributed trust evaluation with a real-time classification of EGOT DERMS actors, providing additional security for distributed systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Muon-neutrino disappearance with multiple liquid argon time projection chambers in the Fermilab Booster neutrino beam

The Short Baseline Neutrino (SBN) program consists of three liquid argon time projection chamber (LArTPC) experiments: SBND, MicroBooNE and ICARUS, with 110 m, 470 m and 600 m baselines respectively. The detectors are located in the Booster Neutrino Beam (BNB) at Fermilab which has a peak energy around 0.7 GeV and contains predominantly muon neutrinos. The baseline and energy range of the SBN program is conducive to measuring neutrino oscillation parameters under various sterile neutrino hypotheses. Sterile neutrinos have been proposed as a possible solution to the numerous short baseline anomalies. The proposed particles must be sterile in nature such that they do not interact via the weak force, however they may undergo oscillations with the active neutrino flavours. Their existence may consequently be confirmed through measurements of the appearance and disappearance of the active flavours. The analyses presented in this thesis aimed to calculate and understand the sensitivity of the SBN program to measuring the ?µ disappearance parameters under the (3+1) sterile neutrino oscillation hypothesis. The sensitivity of SBN to measuring the ?µ disappearance sterile oscillation parameters, sin2 2?µµ, ?m2 41, was calculated through semi-exclusive joint fits of the ?µ CC 0p and ?µ CC Other reconstructed neutrino energy spectra. The first iteration used truth-level Monte Carlo (MC) events, and determined that the 5s SBN sensitivity is comparable to the 90% MINOS/MINOS+ confidence level and supersedes the 90% MiniBooNE confidence level across entire phase space. Semi-exclusive joint fits of the aforementioned sample spectra were performed between the MC and multiple mock data sets in SBND. This analysis assessed the accuracy with which the near detector can disentangle systematic from physics effects in the oscillation analysis. The result was a 5.49% discrepancy between the ICARUS Monte Carlo and mock data event rates, when the systematic constraints from the near detector fit were extrapolated to the far detector. The second iteration of the SBN sensitivity analysis involved the application of an event selection procedure developed in SBND, following the full reconstruction chain. ?µ CC 0p events were selected from sample of neutrinos with 84.5% efficiency and 84.3% purity. The sterile neutrino sensitivity was determined once more at the near detector with these samples, and was shown to be consistent with the truth-level studies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Historic Submarine Landslides in the Northern Gulf of Mexico

This dataset provides a set of polygons representing the zone of depletion for historic submarine landslides (also referred to as mass transport deposits) within four regions of the US Exclusive Economic Zone in the northern Gulf of Mexico. Landslides were digitized by geologists and spatial scientists at the National Energy Technology Laboratory by visually interpreting landslide boundaries from a seismic-derived, high resolution bathymetric hillshade provided by the Bureau of Ocean and Energy Management (BOEM, 2017). A portion of the landslide features are derived from other spatial sources including the Seismic Water Anomalies dataset by BOEM (2016) as well as from McAdoo et al., 2000 and Twichell et al, 2005. The scale that landslides depletion areas can be interpreted at is limited by the spatial resolution of the gridded bathymetry, which is 12.192 meters (BOEM, 2017). For each landslide feature in the dataset, geometry metrics were calculated including geodesic area (km2) and geodesic perimeter (km) using the North America Albers Equal Area Conic projected coordinate system. The same geometry metrics were calculated for the four inventory regions.

DOE↗

Anomalous elastic behavior of tantalum at high pressures: Experimental and theoretical studies

Elastic wave velocities of polycrystalline tantalum have been measured up to 13.6 GPa at room temperature using ultrasonic interferometry technique in a multi-anvil apparatus. The bulk and shear moduli, as well as their pressure derivatives are obtained using Eulerian 3rd order finite strain equations, yielding K S0 = 193.9(29) GPa, G 0 = 69.3(10) GPa, K S0' = 3.18(5) and G 0' = 0.88(1). Here the Steinberg-Guinan yield stress model is examined using the current shear modulus and its pressure derivative, where a slightly lower A 0 = 0.0127 GPa –1 compared to previous studies is obtained. First-principles calculations on the elasticity of tantalum have also been performed up to 200 GPa. Anomalous softening of the elastic shear constant C 44 and shear wave velocity V S is observed between 80– 180 GPa, whereas the anisotropy shows a softening-stiffening behavior with increasing pressure and reaches a minimum at around 150 GPa. Such anomalies might commonly originate from the nesting of Fermi surface for Group VB metals.

36 MATERIALS SCIENCE↗

Interlayer magnetophononic coupling in MnBi2Te4

Abstract The emergence of magnetism in quantum materials creates a platform to realize spin-based applications in spintronics, magnetic memory, and quantum information science. A key to unlocking new functionalities in these materials is the discovery of tunable coupling between spins and other microscopic degrees of freedom. We present evidence for interlayer magnetophononic coupling in the layered magnetic topological insulator MnBi 2 Te 4 . Employing magneto-Raman spectroscopy, we observe anomalies in phonon scattering intensities across magnetic field-driven phase transitions, despite the absence of discernible static structural changes. This behavior is a consequence of a magnetophononic wave-mixing process that allows for the excitation of zone-boundary phonons that are otherwise ‘forbidden’ by momentum conservation. Our microscopic model based on density functional theory calculations reveals that this phenomenon can be attributed to phonons modulating the interlayer exchange coupling. Moreover, signatures of magnetophononic coupling are also observed in the time domain through the ultrafast excitation and detection of coherent phonons across magnetic transitions. In light of the intimate connection between magnetism and topology in MnBi 2 Te 4 , the magnetophononic coupling represents an important step towards coherent on-demand manipulation of magnetic topological phases.

36 MATERIALS SCIENCE↗

Ultrafast dynamics in the high-symmetry and in the charge density wave phase of 2 H –NbSe 2

Here we investigate carrier and collective mode dynamics in 2H-NbSe 2 using time-resolved optical pump-probe spectroscopy and compare the results with first-principles calculations. Broadband ultrafast reflectivity studies of 2H-NbSe 2 in a wide temperature interval covering the normal, charge density wave (CDW) and superconducting phase were performed. Spectral features observed in the transient reflectivity experiment were associated with specific optical transitions obtained from band structure calculations. Displacive excitation of coherent phonons showed CDW-associated coherent oscillations of the soft phonon mode across the whole spectral range. Temperature evolution of this coherent phonon mode in the low-excitation linear regime shows softening of the mode down to the CDW transition temperature T CDW with subsequent hardening below T CDW . The global fit of the broadband probe data reveals four different relaxation times associated with characteristic electron-electron, electron-phonon, and phonon-phonon relaxation processes. From first-principles calculations of electron-phonon coupling we associate the few picosecond electron-phonon relaxation time $\tau_2$ with a specific group of phonons with frequencies around 20 meV. On the other hand, the anomalously long relaxation time of $\tau_3 \sim$ to 100 ps is associated with anharmonicity-driven phonon-phonon scattering. All relaxation processes result from anomalies near the second order CDW phase transition that are reflected in the temperature dependencies of the characteristic relaxation times and amplitudes of coherent oscillations. At the highest fluences we observe electronic melting of the CDW and disappearance of the mode hardening below T CDW .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Influence of Resonances on the Noise Performance of SQUID Susceptometers

Scanning Superconducting Quantum Interference Device (SQUID) Susceptometry simultaneously images the local magnetic fields and susceptibilities above a sample with sub-micron spatial resolution. Further development of this technique requires a thorough understanding of the current, voltage, and flux ( I V Φ ) characteristics of scanning SQUID susceptometers. These sensors often have striking anomalies in their current–voltage characteristics, which we believe to be due to electromagnetic resonances. The effect of these resonances on the performance of these SQUIDs is unknown. To explore the origin and impact of the resonances, we develop a model that qualitatively reproduces the experimentally-determined I V Φ characteristics of our scanning SQUID susceptometers. We use this model to calculate the noise characteristics of SQUIDs of different designs. We find that the calculated ultimate flux noise is better in susceptometers with damping resistors that diminish the resonances than in susceptometers without damping resistors. Such calculations will enable the optimization of the signal-to-noise characteristics of scanning SQUID susceptometers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Straintronic Effect on Phonon-Mediated Superconductivity of Nb 2 CT 2 (T = O, S, Se, or Te) MXenes

Here, the electronic structures, phonon dispersions, and electron–phonon coupling of Nb 2 CT 2 (T = O, S, Se, or Te) MXenes were investigated via first-principles calculations. Different models of Nb 2 CT 2 were constructed, and the results show that the low-energy models of Nb 2 CT 2 are intrinsic phonon-mediated superconductors. Of the four Nb 2 CT 2 MXenes, Nb 2 CO 2 MXene exhibits the largest superconducting critical temperature ($T_c$) of 14.43 K. The existence of soft modes induced by Kohn anomalies and the contribution of Nb atoms to the Fermi level lead to strong electron–phonon coupling (λ = 0.92) in Nb 2 CO 2 MXene. The $T_c$ of Nb 2 CO 2 is further enhanced by biaxial tensile strain and reaches up to 18.28 K under 4% tensile strain. The predicted $T_c$ of Nb 2 CS 2 is 4.5 K, which is comparable with experimental data. These findings will further stimulate the search for superconducting MXenes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantum chromodynamics resolution of the ATOMKI anomaly in 4 He nuclear transitions

Observations of anomalous angular correlations in electron-positron pairs produced from excited states of 4 He, 8 Be, and 12 C nuclei have been suggested as being due to the creation and subsequent decay of a new light particle of mass ~17MeV. In this work, we investigate the possibility that the source of the observed signals is a set of new excitation channels created by the 12-quark hidden-color Fock state within the 4 He nuclear wave function dubbed the “hexadiquark.” We calculate the invariant e + ⁢ e - mass spectrum for the electromagnetic transition from a new excitation of 4 He, estimating its differential and total decay width. We find that we can fit the shape of the anomalous signal with the QCD Fock state at excitation energy E* = 17.9 ± 1MeV and a Gaussian form factor for the electromagnetic decay. We address the physical issues with the fit parameters using properties of the hexadiquark state, in particular the three weakly repulsive 6 C interactions of SU⁡(3) C between diquark pairs. Experimental tests of our model are described in detail. In light of this work, we emphasize the need for independent experimental confirmation or refutation of the ATOMKI results as well as dedicated experiments to search for the proposed new excitations of 4 He and other a-cluster nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Phase transformation in boron under shock compression

Using first-principles molecular dynamics, we calculated the equation of state and shock Hugoniot of various boron phases. Here, we find a large mismatch between Hugoniots based on existing knowledge of the equilibrium phase diagram and those measured by shock experiments, which could be reconciled if the α-B 12 /β phases are significantly over-pressurized in boron under shock compression. Our results also indicate that there exist an anomaly and negative Clapeyron slope along the melting curve of boron at 100 GPa and 1500–3000 K. These results enable an in-depth understanding of matter under shock compression, in particular the significance of compression-rate dependence of phase transitions and kinetic effects in experimental measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗