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DOE OSTI2022

Crust and Upper Mantle Structure Beneath the Eastern United States

Abstract The Eastern United States (EUS) has a complex geological history and hosts several seismic active regions. We investigate the subsurface structure beneath the broader EUS. To produce reliable images of the subsurface, we simultaneously invert smoothed P‐wave receiver functions, Rayleigh‐wave phase and group velocity measurements, and Bouguer gravity observations for the 3D shear‐wave speed. Using surface‐wave observations (3–250 s) and spatially smoothed receiver functions, our velocity models are robust, reliable, and rich in detail. The shear‐wave velocity models fit all three types of observations well. The resulting velocity model for the eastern U.S. shows thinner crust beneath New England, the east coast, and the Mississippi Embayment (ME). A relatively thicker crust was found beneath the stable North America craton. A relatively slower upper mantle was imaged beneath New England, the east coast, and western ME. A comparison of crust thickness derived from our model against four recent published models shows first‐order consistency. A relatively small upper mantle low‐speed region correlates with a published P‐wave analysis that has associated the anomaly with a 75 Ma kimberlite volcanic site in Kentucky. We also explored the relationship between the subsurface structure and seismicity in the eastern U.S. We found that earthquakes often locate near regions with seismic velocity variations, but not universally. Not all regions of significant subsurface wave speed changes are loci of seismicity. A weak correlation between upper mantle shear velocity and earthquake focal mechanism has been observed.

58 GEOSCIENCES↗

DOE OSTI2023

Finite-difference time-domain methods

The finite-difference time-domain (FDTD) method is a widespread numerical tool for full-wave analysis of electromagnetic fields in complex media and for detailed geometries. Applications of the FDTD method cover a range of time and spatial scales, extending from subatomic to galactic lengths and from classical to quantum physics. Technology areas that benefit from the FDTD method include biomedicine — bioimaging, biophotonics, bioelectronics and biosensors; geophysics — remote sensing, communications, space weather hazards and geolocation; metamaterials — sub-wavelength focusing lenses, electromagnetic cloaks and continuously scanning leaky-wave antennas; optics — diffractive optical elements, photonic bandgap structures, photonic crystal waveguides and ring-resonator devices; plasmonics — plasmonic waveguides and antennas; and quantum applications — quantum devices and quantum radar. This Primer summarizes the main features of the FDTD method, along with key extensions that enable accurate solutions to be obtained for different research questions. Additionally, hardware considerations are discussed, plus examples of how to extract magnitude and phase data, Brillouin diagrams and scattering parameters from the output of an FDTD model. Furthermore, the Primer ends with a discussion of ongoing challenges and opportunities to further enhance the FDTD method for current and future applications.

42 ENGINEERING↗

DOE OSTI2023

Studies of the decay $$ {\textrm{D}}_{\textrm{s}}^{+}\to {\textrm{K}}^{+}{\textrm{K}}^{-}{\mu}^{+}{\nu}_{\mu } $$

Abstract The$$ {D}_s^{+}\to {K}^{+}{K}^{-}{\mu}^{+}{\nu}_{\mu } $$ D s + → K + K − μ + ν μ decay is studied based on 7.33 fb −1 ofe + e − collision data collected with the BESIII detector at center-of-mass energies in the range from 4.128 to 4.226 GeV. The absolute branching fraction is measured as$$ \mathcal{B}\left({D}_s^{+}\to \phi {\mu}^{+}{\nu}_{\mu}\right)=\left(2.25\pm 0.09\pm 0.07\right)\times {10}^{-2} $$ B D s + → ϕ μ + ν μ = 2.25 ± 0.09 ± 0.07 × 10 − 2 , the most precise measurement to date. Combining with the world average of$$ \mathcal{B}\left({D}_s^{+}\to \phi {e}^{+}{\nu}_e\right) $$ B D s + → ϕ e + ν e , the ratio of the branching fractions obtained is$$ \frac{\mathcal{B}\left({D}_s^{+}\to \phi {\mu}^{+}{\nu}_{\mu}\right)}{\mathcal{B}\left({D}_s^{+}\to \phi {e}^{+}{\nu}_e\right)}=0.94\pm 0.08 $$ B D s + → ϕ μ + ν μ B D s + → ϕ e + ν e = 0.94 ± 0.08 , in agreement with lepton universality. By performing a partial wave analysis, the hadronic form factor ratios atq 2 = 0 are extracted, finding$$ {r}_V=\frac{V(0)}{A_1(0)}=1.58\pm 0.17\pm 0.02 $$ r V = V 0 A 1 0 = 1.58 ± 0.17 ± 0.02 and$$ {r}_2=\frac{A_2(0)}{A_1(0)}=0.71\pm 0.14\pm 0.02 $$ r 2 = A 2 0 A 1 0 = 0.71 ± 0.14 ± 0.02 , where the first uncertainties are statistical and the second are systematic. No significantS-wave contribution fromf 0 (980)→ K + K − is found. The upper limit$$ \mathcal{B}\left({D}_s^{+}\to {f}_0(980){\mu}^{+}{\nu}_{\mu}\right)\cdot \mathcal{B}\left({f}_0(980)\to {K}^{+}{K}^{-}\right)<5.45\times {10}^{-4} $$ B D s + → f 0 980 μ + ν μ ⋅ B f 0 980 → K + K − < 5.45 × 10 − 4 is set at 90% credibility level.

Physics↗

DOE OSTI2021

Neutron scattering study of magnetic anisotropy in the tetragonal antiferromagnet Bi 2 CuO 4

In this work, we present a comprehensive study of magnon excitations in the tetragonal easy-plane antiferromagnet Bi 2 CuO 4 using inelastic neutron scattering and spin-wave analyses. The nature of low-energy magnons, and hence the anisotropy in this material, has been controversial. We show unambiguously that the low-energy magnon spectrum consists of a gapped and a gapless mode, which we attribute to out-of-plane and in-plane spin fluctuations, respectively. We modeled the observed magnon spectrum using linear spin-wave analysis of a minimal anisotropic spin model motivated by the lattice symmetry. By studying the magnetic field dependence of the (1,0,0) Bragg peak intensity and the in-plane magnon intensity, we observed a spin-flop transition in the ab plane at ~0.4 T, which directly indicates the existence of a small in-plane anisotropy that is classically forbidden. It is only by taking into account magnon zero-point fluctuations beyond the linear spin-wave approximation that we could explain this in-plane anisotropy and its magnitude, the latter of which is deduced from the critical field of the spin-flop transition. The microscopic origins of the observed anisotropic interactions are also discussed. We found that our data are inconsistent with a large Dzyaloshinskii-Moriya interaction, which suggests a potential departure of Bi 2 CuO 4 from the conventional theories of magnetic anisotropy for other cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Complete definition of 𝑁 →Δ transition generalized parton distributions

We revisit the definition of the leading-twist chiral-even generalized parton distributions (GPDs) for 𝑁 →Δ baryon transitions. We identify and address deficiencies in previous definitions of the transition GPDs inspired by the transition form factors of the vector and axial vector currents. Through systematic analysis of all possible covariant structures, respecting discrete symmetries and the baryon spinor equations of motion, we derive complete sets of independent structures for the transition matrix elements of the vector and axial vector partonic operators. They contain additional structures proportional to the light-cone vector, corresponding to transition GPDs of vanishing first moment, which were not included in previous parametrizations. Their presence is confirmed independently by the light-front multipole expansion and the cross-channel SO(3) partial-wave analysis of the transition matrix elements. Our analysis provides a complete definition of the 𝑁 →Δ transition GPDs for use in theoretical and phenomenological studies.

baryons↗

DOE OSTI2022

Study of Excited Cascade Baryons and Preliminary Cross-Sections for Ξ(1530) Using Data from the GlueX Experiment

The spectra of predicted particles from elementary quark models (CQMs) are expansive, accurate for the low-lying spectra, but incomplete. The GlueX experiment at Jefferson Lab is a vehicle to study medium energy photoproduction of hadronic states. The primary goal of the GlueX collaboration is to study Quantum Chromodynamics (QCD, also known as the strong nuclear force) and the nature of quark confinement. The GlueX collaboration uses a polarized photon beam incident on a liquid hydrogen target (LH 2 ) to investigate the aftermath of photon-proton interactions. The cascade baryons, denoted by Ξ, are defined by having two, second-generation, strange quarks with an additional first-generation light quark (u or d). Experimentally, few cascades have been discovered, which is the antithesis of what most models expect. The cascades have some favorable attributes but are difficult to detect because the production cross sections are small and direct production is unlikely. Fortunately, in the 12 GeV era of the GlueX experiment, there is sufficient energy, beam time and data analysis tools for the detection of excited cascade states and their properties. From the reaction γ p →Κ + Κ + Ξ - π 0 , the invariant mass spectra of Ξ - π 0 system was surveyed for new possible resonances. The invariant mass spectrum has a strong Ξ(1530) signal with other smaller resonances throughout the spectrum. Preliminary cross sections for the Ξ(1530) that was photoproduced from the proton are presented at energies never before explored. While the Ξ(1530) couples almost exclusively to the Ξπ channel, there is an easily identifiable Ξ(1690) signal decaying Ξπ. Through the use of a simultaneous fitting routing of the Ξ*- mass spectra, I was able to observe the Ξ(1690) decaying to the KΛ, as well as to the Ξ - π 0 branch. With additional statistics, a measurement of the branching ratio should be possible. Lastly, a partial wave analysis (PWA) was completed to verify that the total angular momentum of Ξ(1530) is J = 3/2 and consistent with having positive parity. Additionally, there is evidence of a potentially interesting feature slightly above the mass of the Ξ(1530) that should be more fully explored as new GlueX data becomes available.

Sumner, Brandon↗

DOE OSTI2021

On the Nature of GW190814 and Its Impact on the Understanding of Supranuclear Matter

The observation of a compact object with a mass of 2.50–2.67M ⊙ on 2019 August 14, by the LIGO Scientific and Virgo collaborations (LVC) has the potential to improve our understanding of the supranuclear equation of state. While the gravitational-wave analysis of the LVC suggests that GW190814 likely was a binary black hole system, the secondary component could also have been the heaviest neutron star observed to date. Here, we use our previously derived nuclear-physics-multimessenger astrophysics framework to address the nature of this object. Based on our findings, we determine GW190814 to be a binary black hole merger with a probability of >99.9%. Even if we weaken previously employed constraints on the maximum mass of neutron stars, the probability of a binary black hole origin is still ~81%. Furthermore, we study the impact that this observation has on our understanding of the nuclear equation of state by analyzing the allowed region in the mass–radius diagram of neutron stars for both a binary black hole or neutron star–black hole scenario. We find that the unlikely scenario in which the secondary object was a neutron star requires rather stiff equations of state with a maximum speed of sound c s ≥ $\sqrt{0.6}$ times the speed of light, while the binary black hole scenario does not offer any new insight.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Birefringent Glass‐Engraved Tilted Pillar Metasurfaces for High Power Laser Applications

Abstract Birefringent materials—which are highly needed in high power laser systems—may be limited in usage due to the laser‐induced damage threshold of traditional birefringent materials. This work reports here on all‐glass metasurfaces, fabricated by angled etching through sacrificial metal nanoparticle (NP) etching masks, for generation of effective birefringence in the formed layer. As a result, a fused silica metasurface, monolithic to the underlying substrate, is demonstrated to exhibit a birefringence of 6.57° under 375 nm illumination. Full‐wave analysis shows a good agreement with the measurement and presents potential paths forward to increasing the effective metasurface birefringence. This is the first demonstration, to the best of knowledge, of an etching technique to obtain the resulting tilted pillar‐like nanofeatures. The anisotropy of the metasurface nanoelements along the two window in‐plane major axes presents different effective paths for the two polarizations and thus generates birefringence in a nonbirefringent material. Additionally, the imparted anisotropy lends itself to manipulation of physical properties of the surface as well, with metasurface feature orientation suppressing water flow along one principal axis and giving rise to water flow steering capabilities.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Measurement of e + e − → ωπ+π− cross section at $\sqrt{s}$ = 2.000 to 3.080 GeV

A partial wave analysis on the process e⁺e⁻ → ωπ⁺π⁻ is performed using 647 pb -1 of data sample collected by using the BESIII detector operating at the BEPCII storage ring at center-of-mass (c.m.) energies from 2.000 GeV to 3.080 GeV. The Born cross section of the e⁺e⁻ → ωπ⁺π⁻ process is measured, with precision improved by a factor of 3 compared to that of previous studies. A structure near 2.25 GeV is observed in the energy-dependent cross sections of e⁺e⁻ → ωπ⁺π⁻ and ωπ 0 π 0 with a statistical significance of 7.6σ, and its determined mass and width are 2232 ± 19 ± 27 MeV/c 2 and 93 ± 53 ± 20 MeV, respectively, where the first and second uncertainties are statistical and systematic, respectively. By analyzing the cross sections of subprocesses e⁺e⁻ → ωf 0 (500), ωf 0 (980), ωf 0 (1370), ωf 2 (1270), and b1(1235)π, a structure, with mass M = 2200 ± 11 ± 17 MeV/c 2 and width Γ = 74 ± 20 ± 24 MeV, is observed with a combined statistical significance of 7.9σ. The measured resonance parameters will help to reveal the nature of vector states around 2.25 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Measurement of the e+e− → $$ {K}_S^0{K}_L^0 $$π0 cross sections from $$ \sqrt{s} $$ = 2.000 to 3.080 GeV

Abstract Based one + e − collision data collected at center-of-mass energies from 2.000 to 3.080 GeV by the BESIII detector at the BEPCII collider, a partial wave analysis is performed for the processe + e − →$$ {K}_S^0{K}_L^0 $$ K S 0 K L 0 π 0 . The results allow the Born cross sections of the processe + e − →$$ {K}_S^0{K}_L^0 $$ K S 0 K L 0 π 0 , as well as its subprocessese + e − →K ∗ (892) 0 $$ \overline{K} $$ K ¯ 0 and$$ {K}_2^{\ast } $$ K 2 ∗ (1430) 0 $$ \overline{K} $$ K ¯ 0 to be measured. The Born cross sections fore + e − →$$ {K}_S^0{K}_L^0 $$ K S 0 K L 0 π 0 are consistent with previous measurements by BaBar, but with substantially improved precision. The Born cross section lineshape of the processe + e − K ∗ (892) 0 $$ \overline{K} $$ K ¯ 0 is consistent with a vector meson state around 2.2 GeV with a significance of 3.2σ. A Breit-Wigner fit determines its mass asM Y = (2164.7±9.1±3.1) MeV/c 2 and its width as Γ Y = (32.4±21.0±1.8) MeV.

Physics↗

DOE OSTI2022

Measurement of e + e – → $\mathrm{K^+K^–π^0}$ cross section and observation of a resonant structure

Based on collision data collected by the BESIII detector at the BEPCII collider at center-of-mass energies from 2.000 to 3.080 GeV, a partial-wave analysis is performed for the process $e^+e^–$→ $K^+K^–π^0$. The Born cross section of the process $e^+e^–$→ $K^+K^–π^0$ and its subprocesses $e^+e^–$ → $\phi π^0, K^{*+}$(892)$K^–$ and $K^{*+}_{2}$(1430)$K^–$ are measured. The results for $e^+e^–$→ $K^+K^–π^0$ and $\phi π^0$ are consistent with the BaBar measurements and with improved precision. By analyzing the cross sections of the subprocesses $e^+e^–$ → $K^{*+}$(892)$K^–$ and $K^{*+}_{2}$(1430)$K^–$ a structure with mass $M_R$ = (2190 ± 19 ± 37) MeV/c 2 and width $Γ_R$ = (191 ± 28 ± 60) MeV is observed with a combined statistical significance of 7.1σ. The measured resonance parameters suggest it can be identified as the $\phi$(2170), thus the results provide valuable input to understand the internal nature of this state.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

First-principles prediction of incipient order in arbitrary high-entropy alloys: exemplified in Ti 0.25 CrFeNiAl

High-temperature disordered multi-component alloys, including high-entropy alloys, experience either segregation or partially-ordered phases to reach low-temperature phases. For Ti 0.25 CrFeNiAl x (0 ≤ x ≤ 1), experiments suggest a partially-ordered B2 phase, whereas CALculation of PHAse Diagrams (CALPHAD) predicts a region of L21+B2 coexistence. We employ first-principles KKR-CPA to assess stability of phases with arbitrary order and a KKR-CPA linear-response theory to predict atomic short-range order (SRO) in the disorder phase that reveals the competing long-range ordered (LRO) phases in a given Bravais lattice. The favorable SRO provides a specific concentration-waves (site occupation probabilities and partially-ordered unit cells) and estimated energy gains that can then be assess directly by KKR-CPA formation enthalpies. Our results are in good agreement with experiments and CALPHAD in Al-poor regions (x ≤ 0.75) and with CALPHAD in Al-rich region (1≥ x >0.75). Our first-principles KKR-CPA and SRO-based concentration-wave analysis is shown to be a powerful and fast method to assess competing LRO phases in complex solid-solution alloys, and our results suggests more careful experiments in Al-rich region are needed.

36 MATERIALS SCIENCE↗

DOE OSTI2022

A comprehensive and fair comparison of two neural operators (with practical extensions) based on $\mathrm{FAIR}$ data

Neural operators can learn nonlinear mappings between function spaces and offer a new simulation paradigm for real-time prediction of complex dynamics for realistic diverse applications as well as for system identification in science and engineering. Herein, we investigate the performance of two neural operators, which have shown promising results so far, and we develop new practical extensions that will make them more accurate and robust and importantly more suitable for industrial-complexity applications. The first neural operator, DeepONet, was published in 2019 (Lu et al., 2019), and its original architecture was based on the universal approximation theorem of Chen & Chen (1995). The second one, named Fourier Neural Operator or FNO, was published in 2020, and it is based on parameterizing the integral kernel in the Fourier space. DeepONet is represented by a summation of products of neural networks (NNs), corresponding to the branch NN for the input function and the trunk NN for the output function; both NNs are general architectures, e.g., the branch NN can be replaced with a CNN or a ResNet. According to Kovachki et al. (2021), FNO in its continuous form can be viewed conceptually as a DeepONet with a specific architecture of the branch NN and a trunk NN represented by a trigonometric basis. In order to compare FNO with DeepONet computationally for realistic setups, we develop several extensions of FNO that can deal with complex geometric domains as well as mappings where the input and output function spaces are of different dimensions. We also develop an extended DeepONet with special features that provide inductive bias and accelerate training, and we present a faster implementation of DeepONet with cost comparable to the computational cost of FNO, which is based on the Fast Fourier Transform. Here we consider 16 different benchmarks to demonstrate the relative performance of the two neural operators, including instability wave analysis in hypersonic boundary layers, prediction of the vorticity field of a flapping airfoil, porous media simulations in complex-geometry domains, etc. We follow the guiding principles of FAIR (Findability, Accessibility, Interoperability, and Reusability) for scientific data management and stewardship. The performance of DeepONet and FNO is comparable for relatively simple settings, but for complex geometries the performance of FNO deteriorates greatly. We also compare theoretically the two neural operators and obtain similar error estimates for DeepONet and FNO under the same regularity assumptions.

42 ENGINEERING↗

DOE OSTI2025

Parallel diffusion operator for magnetized plasmas with improved spectral fidelity

Diffusive transport processes in magnetized plasmas are highly anisotropic, with fast parallel transport along the magnetic field lines sometimes faster than perpendicular transport by orders of magnitude. This constitutes a major challenge for describing non-grid-aligned magnetic structures in Eulerian (grid-based) simulations. Here, the present paper describes and validates a new method for parallel diffusion in magnetized plasmas based on the anti-symmetry representation [Halpern and Waltz, Phys. Plasmas 25, 060703 (2018)]. In the anti-symmetry formalism, diffusion manifests as a flow operator involving the logarithmic derivative of the transported quantity. Qualitative plane wave analysis shows that the new operator naturally yields better discrete spectral resolution compared to its conventional counterpart. Numerical simulations comparing the new method against existing finite difference methods are carried out, showing significant improvement. In particular, we find that combining anti-symmetry with finite differences in diagonally staggered grids essentially eliminates the so-called “artificial numerical diffusion” that affects conventional finite difference and finite volume methods.

Anisotropic diffusion↗

DOE OSTI2021

Multipole interaction in spectral line broadening by plasmas

A long-standing ambiguity in spectral line broadening theory related to the electric field divergence in the quadrupole term of the screened Coulomb radiator-plasma interaction is examined. This is accomplished with multipole expansions from a Taylor series as well as a partial wave analysis of the screened Coulomb interaction. Here, it is explicitly shown that the two approaches agree up to the octupole term for an effective radiator size small compared to the plasma screening length. Furthermore, the ambigous corrections are confirmed appearing naturally in both methods. For higher multipoles the agreement is demonstrated numerically with a computer program using exact arithmetic.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Spectrally sharp magnetic excitations above the critical temperature in a frustrated Weyl semimetal

The rare-earth α-pyrochlore iridates are a prospective class of conducting frustrated magnets where electronic correlations, large spin-orbit coupling, and geometrical frustration interplay, leading to a rich set of magnetic and electronic phases. Despite their intriguing properties, the magnetic order and excitations in this fundamental class of topological quantum materials remain poorly understood due to challenges in growing large single crystals and insufficient microscopic information on their temperature-dependent phases. Here, by combining state-of-the-art thin-film synthesis, resonant elastic and inelastic X-ray scattering, spin wave analysis, and dynamical spin susceptibility calculations, we unequivocally reveal the presence of spectrally sharp, gapped magnetic excitations in Y 2 Ir 2 O 7 that surprisingly persist well above the Néel transition temperature, signaling the presence of a quasi-universal regime connected to fluctuations on frustrated lattices. This finding implies the existence of a highly unusual cooperative paramagnetic (CP) phase above the ordering temperature and offers an explanation for the puzzling high-temperature magnetic behavior observed across the family of metallic pyrochlore crystals. Understanding such magnetic excitations at technologically relevant temperatures opens up possibilities for novel topological spintronic devices.

36 MATERIALS SCIENCE↗

DOE OSTI2022

On the determination of shocked surface velocities

Laser Doppler velocimetry is commonly fielded in shock physics experiments to diagnose the times of arrival, magnitudes, and durations of shock impulses as they arrive at shock loaded surfaces. However, in the presence of ejecta, the resulting frequency noise often obscures the surface and subsequent impulses at later times. In this context, we evaluate a dominant wave analysis technique applied to velocimetry data from explosively shocked Sn subjected to a second shockwave, on which ejecta are emitted subsequent to both the first and subsequent shockwave impulses. The analysis reveals surface velocities, the times of arrival of subsequent impulses, and their durations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Dynamics of electrified liquid metal surface using shallow water model

A shallow water model that incorporates surface tension and electric field effects is developed to investigate the dynamics of an electrified liquid surface. The computational model is verified against the Zakharov–Kuznetsov equation and is applied to study the growth and damping of the electrified liquid surface. A linear wave analysis is performed under a shallow water theory assuming an analytic solution of the electric field, similar to the Tonks–Frenkel instability. The electrified liquid surface grows or dampens based on the balance of the electric field, surface tension, and gravitational forces. As a result, the numerical results obtained from the electrified shallow water solver are in good agreement with the theoretical analysis.

Computational models↗