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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 865 records · Page 48
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DOE OSTI2024

Unpolarized transverse momentum dependent parton distributions of the nucleon from lattice QCD

We present a first lattice QCD calculation of the unpolarized nucleon’s isovector transverse-momentum-dependent parton distribution functions (TMDPDFs), which are essential to predict observables of multiscale, semi-inclusive processes in the standard model. We use a N f = 2 + 1 + 1 MILC ensemble with valence clover fermions on a highly improved staggered quark (HISQ) sea to compute the quark momentum distributions in a large-momentum nucleon on the lattice. The state-of-the-art techniques in renormalization and extrapolation in the correlation distance on the lattice are adopted. The perturbative kernel up to next-to-next-to-leading order is taken into account, and the dependence on the pion mass and the hadron momentum is explored. Our results are qualitatively comparable with phenomenological TMDPDFs, which provide an opportunity to predict high energy scatterings from first principles. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Kaon mixing beyond the standard model with physical masses

We present nonperturbative results for beyond the standard model kaon mixing matrix elements in the isospin symmetric limit ( m u = m d ) of QCD, including a complete estimate of all dominant sources of systematic error. Our results are obtained from numerical simulations of lattice QCD with N f = 2 + 1 flavors of dynamical domain wall fermions. For the first time, these quantities are simulated directly at the physical pion mass m π ∼ 139 MeV for two different lattice spacings. We include data at three lattice spacings in the range a = 0.11 – 0.07 fm and with pion masses ranging from the physical value up to 450 MeV. Compared to our earlier work, we have added both direct calculations at physical quark masses and a third lattice spacing making the removal of discretization effects significantly more precise and eliminating the need for any significant mass extrapolation beyond the range of simulated data. We renormalize the lattice operators nonperturbatively using RI-SMOM off-shell schemes. These schemes eliminate the need to model and subtract nonperturbative pion poles that arises in the RI-MOM scheme and, since the calculations are performed with domain wall fermions, the unphysical mixing between chirality sectors is suppressed. Our results for the bag parameters in the MS ¯ scheme at 3 GeV are B K ≡ B 1 = 0.5240 ( 17 ) ( 54 ) , B 2 = 0.4794 ( 25 ) ( 35 ) , B 3 = 0.746 ( 13 ) ( 17 ) , B 4 = 0.897 ( 02 ) ( 10 ) and B 5 = 0.6882 ( 78 ) ( 94 ) , where the first error is from lattice uncertainties and the second is the uncertainty due to the perturbative matching to MS ¯ . Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Coupled-channel J − − meson resonances from lattice QCD

We extend an earlier calculation within lattice QCD of excited light meson resonances with J P C = 1 − − , 2 − − , 3 − − at the S U ( 3 ) flavor point in the representation, by considering the representation. In this case the resonances appear in coupled-channel amplitudes, which we determine, establishing the relative strength of pseudoscalar-pseudoscalar to pseudoscalar-vector decays. Combining the new octet results with the prior results for the singlet, we perform a plausible extrapolation to the physical quark mass, and compare to experimental ρ J ⋆ , K J ⋆ , ω J ⋆ and ϕ J ⋆ resonances. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Light scalar meson and decay constant in SU(3) gauge theory with eight dynamical flavors

The SU(3) gauge theory with N f = 8 nearly massless Dirac fermions has long been of theoretical and phenomenological interest due to the near-conformality arising from its proximity to the conformal window. One particularly interesting feature is the emergence of a relatively light, stable flavor-singlet scalar meson σ ( J P C = 0 + + ) in contrast to the N f = 2 theory QCD. In this work, we study the finite-volume dependence of the σ meson correlation function computed in lattice gauge theory and determine the σ meson mass and decay constant extrapolated to the infinite-volume limit. We also determine the infinite-volume mass and decay constant of the flavor-nonsinglet scalar meson a 0 . Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

b ¯ b ¯ u d and b ¯ b ¯ u s tetraquarks from lattice QCD using symmetric correlation matrices with both local and scattering interpolating operators

We study the b ¯ b ¯ u d tetraquark with quantum numbers I ( J P ) = 0 ( 1 + ) as well as the b ¯ b ¯ u s tetraquark with quantum numbers J P = 1 + using lattice QCD. We improve on existing work by including both local and scattering interpolating operators on both sides of the correlation functions and use symmetric correlation matrices. This allows not only a reliable determination of the energies of QCD-stable tetraquark ground states, but also of low-lying excited states, which are meson-meson scattering states. The latter is particularly important for future finite-volume scattering analyses. Here, we perform chiral and continuum extrapolations of just the ground-state energies, for which finite-volume effects are expected to be small. Our resulting tetraquark binding energies, − 100 ± 10 − 51 + 36 MeV for b ¯ b ¯ u d and − 30 ± 3 − 31 + 11 MeV for b ¯ b ¯ u s , are consistent with other recent lattice-QCD predictions. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2025

Dynamical dark energy from lattice quantum gravity

We study the behavior of the vacuum in Euclidean dynamical triangulations (EDT). Algorithmic improvements and better lattice spacing determinations allow us to test the properties of the emergent de Sitter geometries of our simulations to higher precision than previously possible. Although the agreement with de Sitter is good, the improved precision reveals deviations that can be interpreted as nontrivial vacuum dynamics, well described by a cosmological constant that runs with scale. The simulations show that the dominant running is quadratic and that the scale can be identified with the Hubble rate. Several key cross-checks support this picture, including consistent results across multiple lattice spacings and the fact that the null energy condition is not violated. The parameters of the running are fully determined by simulations, enabling predictions when extrapolated to the scales relevant for our Universe. This leads to a model for dark energy that is compatible with current observations, but which predicts deviations from the Standard Model of cosmology at the 𝒪⁡(10 −3 ) level in observables that could be tested with future improvements in precision measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Neutrino-nucleus cross section impacts on neutrino oscillation measurements

The challenges in neutrino-nucleus cross section modeling and its impact on neutrino oscillation experiments are widely recognized. However, a comprehensive and theoretically robust estimation of cross section uncertainties has been lacking, and few studies have quantitatively examined their impact on oscillation measurements. In this work, we evaluate the effect of cross section uncertainties on oscillation parameters using setups inspired by NOvA and DUNE. To characterize these uncertainties, we adopt multiple neutrino-nucleus event generators and simulate a realistic experimental procedure that incorporates near-detector data and near-to-far-detector extrapolation. Our results confirm that cross section uncertainties cannot significantly bias oscillation results in current statistics-dominated experiments like NOvA. However, they could lead to substantial bias for future systematics-dominated experiments like DUNE, even when near-detector data are employed to mitigate uncertainties. These findings underscore the need for further studies on the quantitative impacts of cross section modeling, improved strategies to utilize near-detector data and the PRISM concept, and more robust cross section models to optimize the success of future experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Hotspot parameter scaling with velocity and yield for high-adiabat layered implosions at the National Ignition Facility

Here, in this paper, we present a study on hotspot parameters in indirect-drive, inertially confined fusion implosions as they proceed through the self-heating regime. The implosions with increasing nuclear yield reach the burning-plasma regime, hotspot ignition, and finally propagating burn and ignition. These implosions span a wide range of alpha heating from a yield amplification of 1.7–2.5. We show that the hotspot parameters are explicitly dependent on both yield and velocity and that by fitting to both of these quantities the hotspot parameters can be fit with a single power law in velocity. The yield scaling also enables the hotspot parameters extrapolation to higher yields. This is important as various degradation mechanisms can occur on a given implosion at fixed implosion velocity which can have a large impact on both yield and the hotspot parameters. The yield scaling also enables the experimental dependence of the hotspot parameters on yield amplification to be determined. The implosions reported have resulted in the highest yield (1.73×10 16 ±2.6%), yield amplification, pressure, and implosion velocity yet reported at the National Ignition Facility.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Mean-field model for the Curie-Weiss temperature dependence of coherence length in metallic liquids

The coherence length of the medium-range order (MRO) in metallic liquids is known to display a Curie-Weiss temperature dependence; its inverse is linearly related to temperature, and when extrapolated from temperatures above the glass transition, the coherence length diverges at a negative temperature with a critical exponent of unity. We propose a mean-field pseudospin model that explains this behavior. Specifically, we model the atoms and their local environment as Ising spins with antiferromagnetic exchange interactions. We further superimpose an exchange interaction between dynamical heterogeneities, or clusters of atoms undergoing cooperative motion. The coherence length in the metallic liquid is thus the correlation length between dynamical heterogeneities. Overall, our results reaffirm the idea that the MRO coherence length is a measure of point-to-set correlations, and that local frustrations in the interatomic interactions are prominent in metallic liquids.

36 MATERIALS SCIENCE↗
DOE OSTI2022

First-principles equation of state of CHON resin for inertial confinement fusion applications

A wide-range (0 to 1044.0 g/ cm 3 and 0 to 10 9 K) equation-of-state (EOS) table for a CH 1.72 O 0.37 N 0.086 quaternary compound has been constructed based on density-functional theory (DFT) molecular-dynamics (MD) calculations using a combination of Kohn-Sham DFT MD, orbital-free DFT MD, and numerical extrapolation. The first-principles EOS data are compared with predictions of simple models, including the fully ionized ideal gas and the Fermi-degenerate electron gas models, to chart their temperature-density conditions of applicability. The shock Hugoniot, thermodynamic properties, and bulk sound velocities are predicted based on the EOS table and compared to those of C-H compounds. The Hugoniot results show the maximum compression ratio of the C-H-O-N resin is larger than that of CH polystyrene due to the existence of oxygen and nitrogen; while the other properties are similar between CHON and CH. Radiation hydrodynamic simulations have been performed using the table for inertial confinement fusion targets with a CHON ablator and compared with a similar design with CH. Here, the simulations show CHON outperforms CH as the ablator for laser-direct-drive target designs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Embedded training of neural-network subgrid-scale turbulence models

We report that the weights of a deep neural-network model are optimized in conjunction with the governing flow equations to provide a model for subgrid-scale stresses in a temporally developing plane turbulent jet at Reynolds number Re 0 = 6000 . The objective function for training is first based on the instantaneous filtered velocity fields from a corresponding direct numerical simulation, and the training is by a stochastic gradient descent method, which uses the adjoint Navier-Stokes equations to provide the end-to-end sensitivities of the model weights to the velocity fields. In-sample and out-of-sample testing on multiple dual-jet configurations show that its required mesh density in each coordinate direction for prediction of mean flow, Reynolds stresses, and spectra is half that needed by the dynamic Smagorinsky model for comparable accuracy. The same neural-network model trained directly to match filtered subgrid-scale stresses, without the constraint of being embedded within the flow equations during the training, fails to provide a qualitatively correct prediction. The coupled formulation is generalized to train based only on mean-flow and Reynolds stresses, which are more readily available in experiments. The mean-flow training provides a robust model, which is important, though a somewhat less accurate prediction for the same coarse meshes, as might be anticipated due to the reduced information available for training in this case. The anticipated advantage of the formulation is that the inclusion of resolved physics in the training increases its capacity to extrapolate. This is assessed for the case of passive scalar transport, for which it outperforms established models due to improved mixing predictions.

42 ENGINEERING↗
DOE OSTI2020

Contact in the Unitary Fermi Gas across the Superfluid Phase Transition

A quantity known as the contact is a fundamental thermodynamic property of quantum many-body systems with short-range interactions. Determination of the temperature dependence of the contact for the unitary Fermi gas of infinite scattering length has been a major challenge, with different calculations yielding qualitatively different results. Here we use finite-temperature auxiliary-field quantum Monte Carlo (AFMC) methods on the lattice within the canonical ensemble to calculate the temperature dependence of the contact for the homogeneous spin-balanced unitary Fermi gas. We extrapolate to the continuum limit for 40, 66, and 114 particles, eliminating systematic errors due to finite-range effects. We observe a dramatic decrease in the contact as the superfluid critical temperature is approached from below, followed by a gradual weak decrease as the temperature increases in the normal phase. Our theoretical results are in excellent agreement with the most recent precision ultracold atomic gas experiments. Here, we also present results for the energy as a function of temperature in the continuum limit.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Convergence of Eigenvector Continuation

Eigenvector continuation is a computational method that finds the extremal eigenvalues and eigenvectors of a Hamiltonian matrix with one or more control parameters. It does this by projection onto a subspace of eigenvectors corresponding to selected training values of the control parameters. The method has proven to be very efficient and accurate for interpolating and extrapolating eigenvectors. However, almost nothing is known about how the method converges, and its rapid convergence properties have remained mysterious. In this Letter, we present the first study of the convergence of eigenvector continuation. In order to perform the mathematical analysis, we introduce a new variant of eigenvector continuation that we call vector continuation. We first prove that eigenvector continuation and vector continuation have identical convergence properties and then analyze the convergence of vector continuation. Our analysis shows that, in general, eigenvector continuation converges more rapidly than perturbation theory. The faster convergence is achieved by eliminating a phenomenon that we call differential folding, the interference between nonorthogonal vectors appearing at different orders in perturbation theory. From our analysis we can predict how eigenvector continuation converges both inside and outside the radius of convergence of perturbation theory. Further, while eigenvector continuation is a nonperturbative method, we show that its rate of convergence can be deduced from power series expansions of the eigenvectors. Our results also yield new insights into the nature of divergences in perturbation theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Structure Factors of Neutron Matter at Finite Temperature

Here, we compute continuum and infinite volume limit extrapolations of the structure factors of neutron matter at finite temperature and density. Using a lattice formulation of leading-order pionless effective field theory, we compute the momentum dependence of the structure factors at finite temperature and at densities beyond the reach of the virial expansion. The Tan contact parameter is computed and the result agrees with the high momentum tail of the vector structure factor. All errors, statistical and systematic, are controlled for. This calculation is a first step towards a model-independent understanding of the linear response of neutron matter at finite temperature.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Mitigating Depolarizing Noise on Quantum Computers with Noise-Estimation Circuits

A significant problem for current quantum computers is noise. While there are many distinct noise channels, the depolarizing noise model often appropriately describes average noise for large circuits involving many qubits and gates. We present a method to mitigate the depolarizing noise by first estimating its rate with a noise-estimation circuit and then correcting the output of the target circuit using the estimated rate. The method is experimentally validated on the simulation of the Heisenberg model. We find that our approach in combination with readout-error correction, randomized compiling, and zero-noise extrapolation produces results close to exact results even for circuits containing hundreds of CNOT gates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Measured Potential Profile in a Quantum Anomalous Hall System Suggests Bulk-Dominated Current Flow

Ideally, quantum anomalous Hall systems should display zero longitudinal resistance. Yet in experimental quantum anomalous Hall systems elevated temperature can make the longitudinal resistance finite, indicating dissipative flow of electrons. Here, we show that the measured potentials at multiple locations within a device at elevated temperature are well-described by solution of Laplace's equation, assuming spatially-uniform conductivity, suggesting non-equilibrium current flows through the two-dimensional bulk. Extrapolation suggests that at even lower temperatures current may still flow primarily through the bulk rather than, as had been assumed, through edge modes. In conclusion, an argument for bulk current flow previously applied to quantum Hall systems supports this picture.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Collectivity in Ultraperipheral Pb+Pb Collisions at the Large Hadron Collider

In this work, we present the first full (3+1)D dynamical simulations of ultraperipheral Pb+Pb collisions at the Large Hadron Collider. Extrapolating from p + Pb collisions, we explore whether a quasireal photon γ* interacting with the lead nucleus in an ultraperipheral collision can create a many-body system exhibiting fluid behavior. Assuming strong final-state interactions, we provide model results for charged hadron multiplicity, identified particle mean transverse momenta, and charged hadron anisotropic flow coefficients, and compare them with experimental data from the ALICE and ATLAS Collaborations. The elliptic flow hierarchy between p + Pb and γ*+Pb collisions is dominated by the difference in longitudinal flow decorrelations and reproduces the experimental data well. We have demonstrated that our theoretical framework provides a quantitative tool to study particle production and collectivity for all system sizes, ranging from central heavy-ion collisions to small asymmetric collision systems at the Relativistic Heavy-Ion Collider and the Large Hadron Collider and even at the future Electron-Ion Collider.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗