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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 163 records · Page 9

The Simons Observatory: validation of reconstructed power spectra from simulated filtered maps for the small aperture telescope survey

We present a transfer function-based method to estimate angular power spectra from filtered maps for cosmic microwave background (CMB) surveys. This is especially relevant for experiments targeting the faint primordial gravitational wave signatures in CMB polarisation at large scales, such as the Simons Observatory (SO) small aperture telescopes. While timestreams can be filtered to mitigate the contamination from low-frequency noise, usual methods that calculate the mode coupling at individual multipoles can be challenging for experiments covering large sky areas or reaching few-arcminute resolution. The method we present here, although approximate, is more practical and faster for larger data volumes. We validate it through the use of simulated observations approximating the first year of SO data, going from half-wave plate-modulated timestreams to maps, and using simulations to estimate the mixing of polarisation modes induced by an example of time-domain filtering. We show its performance through an example null test and with an end-to-end pipeline that performs inference on cosmological parameters, including the tensor-to-scalar ratio r. The performance demonstration uses simulated observations at multiple frequency bands. We find that the method can recover unbiased parameters for our simulated noise levels.

CMBR experiments↗

Definitive Assessment of the Accuracy, Variationality, and Convergence of Relativistic Coupled Cluster and Density Matrix Renormalization Group in 100-Orbital Space

Accuracy, variationality, and convergence underpin the reliability of modern electronic structure methods, yet definitive benchmarks in the relativistic regime remain elusive due to the absence of numerically exact full configuration interaction (CI) references. Recent algorithmic advances in the CI framework, enabled by the small-tensor-product (STP) decomposition approach, have dramatically extended the tractable size of the configuration space, making numerically exact CI calculations feasible in large active spaces previously beyond reach. In this paper, we employ the recently developed STP-CI framework to perform large-scale numerically exact CI calculations and directly benchmark relativistic coupled cluster and density matrix renormalization group methods. Definitive benchmarking of approximate relativistic electronic structure methods is ensured through the application of the gap theorem, which provides rigorous error bounds on the CI reference and establishes a controlled standard for assessing accuracy, variationality, and convergence.

Chemical calculations↗

Automated Coronal Loop Identification Using Digital Image Processing Techniques

The results of a master thesis project on a study of computer algorithms for automatic identification of optical-thin, 3-dimensional solar coronal loop centers from extreme ultraviolet and X-ray 2-dimensional images will be presented. These center splines are proxies of associated magnetic field lines. The project is pattern recognition problems in which there are no unique shapes or edges and in which photon and detector noise heavily influence the images. The study explores extraction techniques using: (1) linear feature recognition of local patterns (related to the inertia-tensor concept), (2) parametric space via the Hough transform, and (3) topological adaptive contours (snakes) that constrains curvature and continuity as possible candidates for digital loop detection schemes. We have developed synthesized images for the coronal loops to test the various loop identification algorithms. Since the topology of these solar features is dominated by the magnetic field structure, a first-order magnetic field approximation using multiple dipoles provides a priori information in the identification process. Results from both synthesized and solar images will be presented.

Lee, Jong K.↗

ENDOR and ESR studies of a stable radical in irradiated cytidine

A model is proposed for a stable radical species formed by X-irradiation in a single crystal of cytidine and studied by electron nuclear double resonance (ENDOR) and electron spin resonance (ESR) techniques at room temperature. ENDOR and ESR spectra are analyzed to obtain the principal values of the spectroscopic splitting factor and the spectroscopic and hyperfine splitting tensors. The results show hyperfine coupling of an unpaired electron to one hydrogen nucleus and two slightly different geometric forms of the radical with small differences in hyperfine couplings. It is proposed that this radical is formed in the ribose sugar group with a hydrogen atom in a beta position coupling with respect to a carbon-centered unpaired electron and a spin density of approximately 0.2 on a carbon atom.

Allison, D. L.↗

Improved Regional Moment Tensor Inversion for Moderately Large Earthquakes in the Western United States Using a 3D Earth Model Based on Full Waveform Tomography

The nature of seismic sources for moderately large (moment magnitude, M w 5.0–6.5) events are commonly characterized by their moment tensor (MT) solutions and obtained by inversion of regional distance (200–1600 km) long‐period (20–50 s) waveforms. Regional MT estimates are often calculated from average plane‐layered, one‐dimensional (1D) velocity models. However, 1D model calculations can produce misfits in the arrival times and waveform shapes that introduce errors, particularly at longer distances or for shorter periods, which are necessary for analyzing lower magnitude events. Approximate Earth models (e.g., 1D) representing broad areas may be inadequate, particularly in the crust and uppermost mantle of tectonically complex regions. In this study, we show how a three‐dimensional (3D) Earth model obtained from full waveform inversion tomography can improve waveform fits and decrease phase errors. We developed a platform and workflow to perform routine 3D MT inversions and inverted MTs for 25 earthquakes in the western United States and seven nuclear explosions using an average 1D and a recent 3D Earth model, WUS256 (Rodgers et al., 2022). Using the 3D model improves waveform fits (variance reduction and phase time shifts) compared with the 1D model, and the 3D MT solutions are stable across large distances. This study shows that 3D models obtained from full waveform tomography can improve MTs and source characterization especially at far regional distances (>800 km).

Geosciences↗

On infinite tensor networks, complementary recovery and type II factors

We initiate a study of local operator algebras at the boundary of infinite tensor networks, using the mathematical theory of inductive limits. In particular, we consider tensor networks in which each layer acts as a quantum code with complementary recovery, a property that features prominently in the bulk-to-boundary maps intrinsic to holographic quantum error-correcting codes. In this case, we decompose the limiting Hilbert space and the algebras of observables in a way that keeps track of the entanglement in the network. As a specific example, we describe this inductive limit for the holographic Harlow-Pastawski-Preskill-Yoshida code model and relate its algebraic and error-correction features. We find that the local algebras in this model are given by the hyperfinite type II$_\infty$ factor. Next, we discuss other networks that build upon this framework and comment on a connection between type II factors and stabilizer circuits. We conclude with a discussion of multiscale entanglement renormalization ansatz networks in which complementary recovery is broken. We argue that this breaking possibly permits a limiting type III von Neumann algebra, making them more suitable ansätze for approximating subregions of quantum field theories.

holographic dualities↗

Rovibrationally resolved Rayleigh and Raman scattering cross sections for molecular hydrogen

Accurate Rayleigh and Raman scattering cross sections, tensor components, depolarization ratios, and reversal coefficients for all rovibrational transitions within the X1Σg+ ground electronic state of H2 have been calculated. Raman spectra have been generated using these data. A method for calculating Raman scattering cross sections is formulated that is valid below the ionization threshold and in the region containing resonances, which explicitly accounts for all bound and dissociative vibrational levels of the bound intermediate electronic states and approximately accounts for the ionization continuum. A representative set of cross sections is presented for incident photon energies below 15 eV and compared with existing results in the literature where possible. Convergence of our results with an increasing number of bound intermediate electronic states is demonstrated. The accuracy of the Placzek–Teller approximation is discussed. The effect of accounting for the intermediate ionization continuum is investigated. Local thermal equilibrium cross sections are calculated for Rayleigh and Raman scattering. This work represents the most accurate and complete treatment of Raman scattering for molecular hydrogen to date. A total of 9582 Rayleigh and Raman scattering cross sections have been generated and are openly available on Zenodo under an open-source Creative Commons Attribution license at https://zenodo.org/doi/10.5281/zenodo.13441471.

74 ATOMIC AND MOLECULAR PHYSICS↗

On the Alignment of Strain, Vorticity and Scalar Gradient in Turbulent, Buoyant, Nonpremixed Flames

The alignment of vorticity and scalar gradient with the eigendirections of the rate of strain tensor is investigated in turbulent buoyant nonpremixed horizontal and vertical flames. The uniqueness of a buoyant nonpremixed flame is that it contains regions with distinct alignment characteristics. The strain-enstrophy angle Psi is used to identify these regions. Examination of the vorticity field and the vorticity production in these different regions indicates that Psi and consequently the alignment properties near the flame surface identified by the mixture fraction band F approximately equals F(sub st) differ from those in the fuel region, F > F(sub st) and the oxidizer region, F < F(sub st). The F approximately equals F(sub st) band shows strain-dominance resulting in vorticity/alpha alignment while F > F(sub st) (and F < F(sub st) for the vertical flame) band(s) show(s) vorticity/beta alignment. The implication of this result is that the scalar dissipation, epsilon(sub F), attains its maximum value always near F approximately equals F(sub st). These results are also discussed within the framework of recent dynamical results [Galanti et al., Nonlinearity 10, 1675 (1997)] suggesting that the Navier-Stokes equations evolved towards an attracting solution. It is shown that the properties of such an attracting solution are also consistent with our results of buoyant turbulent nonpremixed flames.

Boratav, O. N.↗

The turbomachine blading design using S2-S1 approach

The boundary conditions corresponding to the design problem when the blades being simulated by the bound vorticity distribution are presented. The 3D flow is analyzed by the two steps S2 - S1 approach. In the first step, the number of blades is supposed to be infinite, the vortex distribution is transformed into an axisymmetric one, so that the flow field can be analyzed in a meridional plane. The thickness distribution of the blade producing the flow channel striction is taken into account by the modification of metric tensor in the continuity equation. Using the meridional stream function to define the flow field, the mass conservation is satisfied automatically. The governing equation is deduced from the relation between the azimuthal component of the vorticity and the meridional velocity. The value of the azimuthal component of the vorticity is provided by the hub to shroud equilibrium condition. This step leads to the determination of the axisymmetric stream sheets as well as the approximate camber surface of the blade. In the second step, the finite number of blades is taken into account, the inverse problem corresponding to the blade to blade flow confined in each stream sheet is analyzed. The momentum equation implies that the free vortex of the absolute velocity must be tangential to the stream sheet. The governing equation for the blade to blade flow stream function is deduced from this condition. At the beginning, the upper and the lower surfaces of the blades are created from the camber surface obtained from the first step with the assigned thickness distribution. The bound vorticity distribution and the penetrating flux conservation applied on the presumed blade surface constitute the boundary conditions of the inverse problem. The detection of this flux leads to the rectification of the geometry of the blades.

Luu, T. S.↗

Algebraic grid generation using tensor product B-splines

Finite difference methods are more successful if the accompanying grid has lines which are smooth and nearly orthogonal. The development of an algorithm which produces such a grid when given the boundary description. Topological considerations in structuring the grid generation mapping are discussed. The concept of the degree of a mapping and how it can be used to determine what requirements are necessary if a mapping is to produce a suitable grid is examined. The grid generation algorithm uses a mapping composed of bicubic B-splines. Boundary coefficients are chosen so that the splines produce Schoenberg's variation diminishing spline approximation to the boundary. Interior coefficients are initially chosen to give a variation diminishing approximation to the transfinite bilinear interpolant of the function mapping the boundary of the unit square onto the boundary grid. The practicality of optimizing the grid by minimizing a functional involving the Jacobian of the grid generation mapping at each interior grid point and the dot product of vectors tangent to the grid lines is investigated. Grids generated by using the algorithm are presented.

Saunders, B. V.↗

Modified Brans-Dicke gravitational theory with nonzero divergence of the energy-momentum tensor

The Brans-Dicke theory of gravitation is modified by assuming that the divergence of the energy-momentum tensor is proportional to the covariant derivative of the scalar curvature. No ad hoc additions to the usual Brans-Dicke field equations are required as in Rastall's modification of the Einstein theory or as in the steady-state theories, of which this is a natural possibility. Three parameters emerge from the theory - namely, the unnormalized gravitational constant, the usual Brans-Dicke parameter, and the proportionality constant. In the post-Newtonian approximation, these parameters can be fixed by experiment. However, there exists a certain choice of the parameters for which the theory reduces to an Einstein theory with constant scalar curvature.

Smalley, L. L.↗

Change of Inertia Tensor Due to a Severed Radial Boom for Spinning Spacecraft

Many spinning spacecraft have long, flexible, radial booms to carry science instrumentation. These radial booms often have low mass but contribute significantly to the spacecraft moment of inertia due to their length. There are historical cases where radial booms have been severed or have failed to deploy. This paper presents models for the center of mass (CM) and inertia tensor that account for variable boom geometry and investigates how the CM and inertia tensor change when a radial boom is severed.The CM and inertia tensor models presented here will be included in the Attitude Ground System (AGS) for the Magnetospheric Multiscale (MMS) mission. This work prepares the AGS to provide uninterrupted support in the event of a radial boom anomaly. These models will improve the AGS computations for spin-axis precession prediction, Kalman filter propagation for the definitive attitude, and mass property generation needed for the onboard control system. As an additional application, a method is developed for approximating the location on the boom where the break occurred based on the new models and readily observable attitude parameters.

Sedlak, Joseph E.↗

Kinematics of velocity and vorticity correlations in turbulent flow

The kinematic problem of calculating second-order velocity moments from given values of the vorticity covariance is examined. Integral representation formulas for second-order velocity moments in terms of the two-point vorticity correlation tensor are derived. The special relationships existing between velocity moments in isotropic turbulence are expressed in terms of the integral formulas yielding several kinematic constraints on the two-point vorticity correlation tensor in isotropic turbulence. Numerical evaluation of these constraints suggests that a Gaussian curve may be the only form of the longitudinal velocity correlation coefficient which is consistent with the requirement of isotropy. It is shown that if this is the case, then a family of exact solutions to the decay of isotropic turbulence may be obtained which contains Batchelor's final period solution as a special case. In addition, the computed results suggest a method of approximating the integral representation formulas in general turbulent shear flows.

Bernard, P. S.↗

Seamlessly joining length scales: From atomistic thermal graphs to anisotropic continuum conductivity

Thermal transport in complex solids is governed by local structure, defects, and anisotropy, yet most continuum models still rely on oversimplified and homogenized conductivities. Here, we bridge atomistic and continuum descriptions by building finite element (FE) models directly from the site-projected thermal conductivity (SPTC), an atomic-level decomposition of the Green–Kubo thermal conductivity. We introduce a toolkit, the “Simulator Collection for Atomic-to-Continuum Scales (SCACS)”, which uses a graph neural network to predict SPTC on large atomic structures, coarse-grains these fields into anisotropic conductivity tensors, and embeds them into the heat-flow FE equation with a customized, anisotropy-aware adaptive mesh refinement scheme. Applied to silicon nanostructures, the resulting FE models act as representative volume elements, reproduce bulk conductivities, and capture interfacial and defect-driven anisotropy while maintaining thermodynamic consistency. Additionally, SCACS predicts experimental conductance trends and fields. This work demonstrates a general route for transferring atomistic transport information into device-scale thermal simulations with physics-based approximations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Real-Time Operator Evolution in Two and Three Dimensions via Sparse Pauli Dynamics

We study real-time operator evolution using sparse Pauli dynamics, a recently developed method for simulating expectation values of quantum circuits. On the examples of energy and charge diffusion in one-dimensional (1D) spin chains and sudden quench dynamics in the 2D transverse-field Ising model, it is shown that this approach can compete with state-of-the-art tensor network methods. We further demonstrate the flexibility of the approach by studying quench dynamics in the 3D transverse-field Ising model that is highly challenging for tensor network methods. For the simulation of expectation value dynamics starting in a computational basis state, we introduce an extension of sparse Pauli dynamics that truncates the growing sum of Pauli operators by discarding terms with a large number of X and Y matrices. This is validated by our 2D and 3D simulations. Finally, we argue that sparse Pauli dynamics is not only capable of converging challenging observables to high accuracy, but can also serve as a reliable approximate approach even when given only limited computational resources. Published by the American Physical Society 2025

Begušić, Tomislav (ORCID:0000000279424134)↗

Adjoint-Based Anisotropic Mesh Adaptation for a Stabilized Finite-Element Flow Solver

An adjoint solver is implemented in the FUN3D stabilized finite-element flow solver. The adjoint solution is used to generate anisotropic, adapted meshes to control error in scalar out- put functionals, such as lift or drag coefficient. The inviscid and turbulent adjoints are verified with a finite-difference derivative approximation and can be used in design optimization in addition to mesh adaptation. The adjoint capability represents an extension of previous research using the FUN3D stabilized finite-element capability with metric-based mesh adaptation and interpolation-based error estimates to generate highly anisotropic adapted meshes for turbulent flows. In the present work, a metric-based approach is again utilized, where the adjoint and the primal solutions both contribute to the generation of a metric tensor field that is subsequently used to produce the required anisotropic mesh for each adaptation cycle. Adaptive results are then shown for an inviscid supersonic flow over a diamond airfoil, inviscid transonic flow over the ONERA M6 wing, and viscous laminar flow over the NACA 0012 airfoil, all using drag force as the output functional. Adjoint-based adaptation is compared with a multiscale solution-based approach that controls the L norm of Mach number interpolation error to demonstrate the effectiveness and effciency of the adjoint-based adaptive mesh technology.

Balan, Aravind↗

The algebraic structure of gravitational scrambling

We introduce a new algebraic framework to describe gravitational scrambling, including the semiclassical limit of any out-of-time-order correlation function that is built out of operator insertions separated by approximately the scrambling time. In two dimensions, the scrambling algebra, which we call a modular-twisted product, is defined in terms of two copies of the Leutheusser-Liu half-sided modular inclusion of von Neumann algebras; these describe early- and late-time operators respectively. In limits where the separation between insertions is taken to be either significantly greater or smaller than the scrambling time, the modular-twisted product reduces, respectively, to free- and tensor-product algebras that were previously studied in [arXiv:2209.10454]. In a sense, the modular-twisted product interpolates between these two products. Including the Hamiltonian in the scrambling algebra leads to a Type II$_\infty$ von Neumann algebra with finite renormalized entropies that interpolate between single-QES and multi-QES phases. We also describe how to generalize the modular-twisted product algebra to higher dimensions, including spatially localized boundary excitations.

FOS: Physical sciences↗

A viscoplastic model with application to LiF-22 percent CaF2 hypereutectic salt

A viscoplastic model for class M (metal-like behavior) materials is presented. One novel feature is its use of internal variables to change the stress exponent of creep (where n is approximately = 5) to that of natural creep (where n = 3), in accordance with experimental observations. Another feature is the introduction of a coupling in the evolution equations of the kinematic and isotropic internal variables, making thermal recovery of the kinematic variable implicit. These features enable the viscoplastic model to reduce to that of steady-state creep in closed form. In addition, the hardening parameters associated with the two internal state variables (one scalar-valued, the other tensor-valued) are considered to be functions of state, instead of being taken as constant-valued. This feature enables each internal variable to represent a much wider spectrum of internal states for the material. The model is applied to a LiF-22 percent CaF2 hypereutectic salt, which is being considered as a thermal energy storage material for space-based solar dynamic power systems.

Freed, A. D.↗