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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 145 records · Page 8

Mechanical Erosion Modeling of TPS Materials

This work describes the development of a model that accounts for the additional surface recession in Thermal Protection Systems (TPS) materials as a result of mechanical erosion due to high shear conditions during atmospheric entry. A computational solid mechanics module was integrated within the Porous material Analysis Toolbox (PATO) based on OpenFOAM. The mechanical erosion was modeled in three steps: first, the implemented stress analysis solver computes the stress and the displacement fields for orthotropic materials using the wall shear stress tensor as a boundary condition; then, regions on the surface where the stress meets the failure criteria are identified; and last, the mesh is moved accordingly to remove the failed material. The outcome is a model capable to predict the total recession of the material due to surface chemistry and mechanical erosion. Results will be included in the final paper after verifying and completing the study.

Stress Analysis↗

Mechanical form factors and densities of nonrelativistic fermions

The hadron physics community has been actively debating the interpretation of so-called mechanical properties of hadrons. Nonrelativistic quantum-mechanical systems like the hydrogen atom have been appealed to in these debates as analogies. Since such appeals are likely to continue, it is important to have Galilei-covariant expressions for matrix elements of the energy-momentum tensor. In this work, I obtain Galilei-covariant breakdowns of such matrix elements into mechanical form factors, with a special focus on spin-half states. I additionally study the spatial densities associated with these form factors, using the pilot wave interpretation to guide their breakdown into contributions from internal structure and from quantum-mechanical effects such as wave packet dispersion. For completeness, I also obtain nonrelativistic Breit frame densities.

form factors↗

One- and two-dimensional higher-point conformal blocks as free-particle wavefunctions in $$ {\textrm{AdS}}_3^{\otimes m} $$

Abstract We establish that all of the one- and two-dimensional global conformal blocks are, up to some choice of prefactor, free-particle wavefunctions in tensor products of AdS 3 or limits thereof. Our first core observation is that the six-point comb-channel conformal blocks correspond to free-particle wavefunctions on an AdS 3 constructed directly in cross-ratio space. This construction generalizes to blocks for a special class of diagrams, which are determined as free-particle wavefunctions in tensor products of AdS 3 . Conformal blocks for all the remaining topologies are obtained as limits of the free wavefunctions mentioned above. Our results show directly that the integrable models associated with all one- and two-dimensional conformal blocks can be seen as limits of free theory, and manifest a relation between AdS and CFT kinematics that lies outside of the standard AdS/CFT dictionary. We complete the discussion by providing explicit Feynman-like rules that can be used to work out blocks for all topologies, as well as a Mathematica notebook that allows simple computation of Casimir equations and series expansions for blocks, by requiring just an OPE diagram as input.

Physics↗

Spin Signature of the C 60 Fullerene Anion: A Combined X- and D-Band EPR and DFT Study

Fullerenes attract much attention in various scientific fields, but their electronic properties are still not completely understood. Here we report on a combined EPR and DFT study of the fullerene anion C 60 – in solid glassy environment. DFT calculations were used to characterize its electronic structure through spin density distribution and magnetic resonance parameters. The electron spin density is not uniformly distributed throughout the C 60 – cage but shows a pattern similar to PC 61 BM – . EPR spectroscopy reveals a rhombic g-tensor sensitive to the environment in the frozen glassy solutions, which can be rationalized by deformation of the fullerenes along lowfrequency vibrational modes upon cooling. DFT modeling confirms that these deformations lead to variation in the C 60 – g values. Furthermore, the decrease in g-tensor anisotropy with sample annealing is related to the lessening of g-tensor strain upon temperature relaxation of the most distorted sites in the glassy state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Source Characterization at Low Yields from Physics Experiment One A

The detonation of a well-recorded coupled explosion at the well-characterized Nevada National Security Site, as part of Physics Experiment One, has provided us with an opportunity to compare and contrast methods and results of yield estimation and other event characterization methods. Yield estimates are made using several methods, including local/regional magnitudes, waveform envelopes, acoustic amplitudes, joint seismoacoustic yield, and moment tensors. We include in our analysis a discussion and comparison of applicability, calibrations, assumptions, and uncertainties involved in each. With the exception of magnitude-based methods, all the techniques were more or less successful in recovering the known yield. It is, however, useful to be cognizant of requirements and calibrations, such as station coverage, emplacement conditions, propagation characterization, and uncertainties, to apply the methods to other areas with less complete information. We demonstrate that we can be successful at monitoring low-yield explosions using a variety of methods assuming that the signal-to-noise ratio is adequate at recording stations, and that the material properties are taken into account. Depth estimates are also important, particularly if one allows the possibility of a surface explosion.

Pasyanos, Michael E. [Lawrence Livermore National ↗

Impact of tensor couplings with scalar mixing on covariant energy density functionals

The recent pioneering campaigns conducted by the Lead Radius Experiment (PREX) and the Calcium Radius Experiment (CREX) Collaborations have uncovered major deficiencies in the theoretical description of some fundamental properties of atomic nuclei. Following a recent refinement to the isovector sector of covariant energy density functionals we present here additional improvements to the functional by including both tensor couplings and an isoscalar-isovector mixing term in the scalar sector. Motivated by the distinct surface properties of calcium and lead, we expect that the tensor terms that generate derivative couplings will help break the linear correlation between the neutron skin thickness of these two nuclei. Moreover, the addition of these new terms mitigates most of the problems identified by Reed et al. in describing the properties of both finite nuclei and neutron stars. While significant progress has been made in reconciling the PREX-CREX results without compromising other observables, the final resolution awaits the completion of a proper calibration for this new class of functionals. As a result, we expect that powerful reduced basis methods used recently to create efficient emulators will be essential to accomplish this task.

79 ASTRONOMY AND ASTROPHYSICS↗

A Planar Biaxial Experiment Platform for In Situ High-Energy Diffraction Studies

In this work, an experimental platform for multiscale studies of materials subjected to plane stress loads is presented. Specifically, a planar biaxial mechanical load frame with four independent hydraulic actuators capable of applying arbitrary loading paths and ratios of tension and compression was designed and built for in situ diffraction experimentation. The load frame is integrated for use at the Argonne National Laboratory Advanced Photon Source (APS) synchrotron, Sector 1, 1-ID-E endstation and the Los Alamos Neutron Science Center (LANSCE) spallation neutron source, Spectrometer for Materials Research at Temperature and Stress (SMARTS) instrument. Cruciform specimen geometries were designed to experience loading ratios in the gauges commensurate with those applied at the grips, and to minimize interference with diffracted X-rays and neutrons. The finite element models used to design the cruciform specimen geometries were experimentally validated using stereo digital image correlation measurements. This complete planar biaxial in situ diffraction platform provides a new capability for studying multiaxial micromechanics of crystalline materials (e.g., elastic, slip, twinning, phase transformation) and their dependencies on grain size, location, texture, and neighborhood characteristics. The coupling with far-field high energy diffraction microscopy (ff-HEDM) for grain-by-grain measurements provides an additional benefit; provided crystal elastic constants of a material are known, it enables the direct measurement of local and average stress tensors in the gauge sections of cruciform specimens, resolving a long outstanding challenge of planar biaxial mechanical testing.

36 MATERIALS SCIENCE↗

Universal relations in composite Higgs models

We initiate a phenomenological study of “universal relations” in composite Higgs models, which are dictated by nonlinear shift symmetries acting on the 125 GeV Higgs boson. These are relations among one Higgs couplings with two electroweak gauge bosons (HVV), two Higgses couplings with two electroweak gauge bosons (HHVV), one Higgs couplings with three electroweak gauge bosons (HVVV), as well as triple gauge boson couplings (TGC), which are all controlled by a single input parameter: the decay constant f of the pseudo-Nambu-Goldstone Higgs boson. Assuming custodial invariance in strong sector, the relation is independent of the symmetry breaking pattern in the UV, for an arbitrary symmetric coset G/H . The complete list of corrections to HVV, HHVV, HVVV and TGC couplings in composite Higgs models is presented to all orders in 1/ f , and up to four-derivative level, without referring to a particular G/H . We then present several examples of universal relations in ratios of coefficients which could be extracted experimentally. Measuring the universal relation requires a precision sensitive to effects of dimension-8 operators in the effective Lagrangian and highlights the importance of verifying the tensor structure of HHVV interactions in the standard model, which remains untested to date.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Modeling and simulation of a turbulent far wake

Work continued on two projects which had been started during previous years. Both projects involve calculations of the subsonic, turbulent far wake of a two-dimensional object at a Reynolds number of 1000 (based on wake momentum thickness). This flow was used as a test case for direct comparison of various turbulence models and a direct numerical simulations (DNS) of this flow were undertaken. In the turbulence model comparison studies, for any particular model tested, a unique self-similar solution was obtained far enough downstream, regardless of inlet conditions. Furthermore, different turbulence models led to different far-wake equilibrium solutions. No turbulence model could correctly predict all features of the turbulent far wake. For example, the spreading rate and turbulent shear stresses were underpredicted by all the standard models (both two-equation and full Reynolds stress models). In cases where a more correct spreading rate was achieved, it was at the expense of the turbulent kinetic energy, which was overpredicted. In general, the Algebraic Dissipation Rate Model of Gatski and Speziale, 1992, when added to any of the standard models, improved the results dramatically. Also, full Reynolds stress closure models did a much better job at predicting the shapes of both the mean and turbulence profiles, but the spreading rate was not significantly improved over that predicted by the simpler two-equation models. There are two main conclusions from these studies: First, in a comparison such as this, it is not enough to compare just one parameter, like the spreading rate. A good prediction for one parameter does not necessarily imply good predictions for all parameters in a flow. Second, since no turbulence model could correctly predict the turbulent far wake, much of the important physics of turbulent free shear flows is apparently lost by the assumptions inherent in today's methods of turbulence modeling; turbulence models must be improved. Direct simulations of this flow were begun last year in order to provide a data base through which some of the deficiencies of the existing turbulence models could be identified. Quantities such as the pressure-strain correlation, turbulent diffusion, and the dissipation rate tensor can be easily calculated from the DNS results, whereas these quantities are nearly impossible to measure experimentally. Improvements to existing turbulence models (and development of new models) require knowledge about flow quantities such as these. During this summer, diagnostics codes were written which will calculate the parameters mentioned above, along with other single-point and multi-point statistics. The DNS calculations are still in progress at the time of this writing. When these calculations are complete, the diagnostics codes will be applied so that the results can aid turbulence modelers. In addition, the results will show whether or not there exists a universal equilibrium turbulent far wake, independent of initial conditions.

Cimbala, John M.↗

Uncertainty Quantification of Geophysical Inversion Using Stochastic Partial Differential Equations (LDRD #218329)

This report summarizes work completed under the Laboratory Directed Research and Development (LDRD) project "Uncertainty Quantification of Geophysical Inversion Using Stochastic Differential Equations." Geophysical inversions often require computationally expensive algorithms to find even one solution, let alone propagating uncertainties through to the solution domain. The primary purpose of this project was to find more computationally efficient means to approximate solution uncertainty in geophysical inversions. We found multiple computationally efficient methods of propagating Earth model uncertainty into uncertainties in solutions of full waveform seismic moment tensor inversions. However, the optimum method of approximating the uncertainty in these seismic source solutions was to use the Karhunen-Love theorem with data misfit residuals. This method was orders of magnitude more computationally efficient than traditional Monte Carlo methods and yielded estimates of uncertainty that closely approximated those of Monte Carlo. We will summarize the various methods we evaluated for estimating uncertainty in seismic source inversions as well as work toward this goal in the realm of 3-D seismic tomographic inversion uncertainty.

58 GEOSCIENCES↗

Loop-string-hadron approach to SU(3) lattice Yang-Mills theory: Hilbert space of a trivalent vertex

The construction of gauge-invariant states of SU(3) lattice gauge theories has garnered new interest in recent years, but implementing them is complicated by the need for SU(3) Clebsch-Gordon coefficients. In the loop-string-hadron (LSH) approach to lattice gauge theories, the elementary excitations are strictly gauge invariant, and constructing the basis requires no knowledge of Clebsch-Gordon coefficients. Originally developed for SU(2), the LSH formulation was recently generalized to SU(3), but limited to one spatial dimension. In this work, we generalize the LSH approach to constructing the basis of SU(3) gauge-invariant states at a trivalent vertex—the essential building block to multidimensional space. A direct generalization from the SU(2) vertex yields a legitimate basis; however, in certain sectors of the Hilbert space, the naive LSH basis vectors so defined suffer from being nonorthogonal. The issues with orthogonality are directly related to the “missing label” or “outer multiplicity” problem associated with SU(3) tensor products and may also be phrased in terms of Littlewood-Richardson coefficients or the need for a “seventh Casimir” operator. The states that are unaffected by the problem are orthonormalized in closed form. For the sectors that are afflicted, we discuss the nonorthogonal bases and their orthogonalization. A few candidates for seventh Casimir operators are readily constructed from the suite of LSH gauge-singlet operators. The diagonalization of a seventh Casimir represents one prescriptive solution toward obtaining a complete orthonormal basis, but a closed-form general solution remains to be found. Published by the American Physical Society 2025

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

FEM modeling of plastic flow and strain-induced phase transformation in BN under high pressure and large shear in a rotational diamond anvil cell

In this study, combined three-dimensional plastic flow and strain-induced phase transformation (PT) in boron nitride (BN) under high pressure and large shear in a rotational diamond anvil cell (rotational DAC or RDAC) are investigated. Geometrically nonlinear frameworks including finite elastic, transformational, and plastic deformations and finite element method (FEM) are utilized. Quantitative information is obtained on the evolutions of the stress tensor, plastic strain, volume fraction of phases in the entire sample, and slip-cohesion transitions, all during torsion under a fixed compressive load in RDAC. The effects of the applied compressive stress and the sample radius on PT and plastic flow are discussed. In comparison with DAC, the same amount of the high-pressure phase can be obtained at a much lower pressure in RDAC, which reduces the required force and the risk of diamond fracture. Also, RDAC has a potential to complete PT during torsion under pressure close to the minimum possible. A quasi-homogeneous pressure can be obtained in a transforming sample in RDAC under a proper choice of properties and parameters of a gasket. A number of experimental phenomena, including the pressure self-multiplication and quasi-homogeneous pressures in DAC and RDAC, are reproduced and interpreted. Finally, the simulation results provide a significant insight into coupled PTs and plastic flow in material in RDAC, and are important for the optimum design of experiments and the extraction of material parameters for PT, as well as for the optimization and control of PTs by the variation of various parameters.

36 MATERIALS SCIENCE↗

Conditions for the validity of unmagnetized-plasma theory in describing weakly magnetized plasmas

The application of the unmagnetized-plasma theory to the derivation of the expression for the dielectric tensor for weakly magnetized plasmas is examined. The analysis of Baldwin et. al. (1969) is employed to determine the conditions under which the magnetic effects on the dielectric tensor of a plasma are small. The relation between wave and plasma parameters and the plasma distribution function is studied. Axisymmetric distribution functions in magnetized plasma are considered. The derived conditions are analyzed in terms of resonance ellipses of the cyclotron maser theory. Examples are presented in which the conditions are applied to a nonrelativistic Maxwellian distribution and the dispersion and instability of Langmuir and Bernstein waves in weakly magnetized plasma. The data reveal that the conditions under which the magnetic field can be completely neglected depend on the forms of the distribution function.

Robinson, P. A.↗

Large rotations of the grain-scale stress tensor during yielding set the stage for failure

The stress-state within individual grains in a polycrystal determine the fate of the aggregate including mechanical failure. By tracking the evolution of the stress tensor throughout the elastoplastic transition, large rotations of the stress-state, which have long been theorized to occur, are observed experimentally for the first time. These stress rotations (~15°) are more than an order of magnitude larger than the concomitant crystallographic lattice reorientations (~0.9°) well-known to occur during metal plasticity. Furthermore, these rotations are accompanied by a decrease in stress triaxiality within certain grains, promote strain softening, and set the stage for failure at an early stage of deformation. Finally, these results provide a completely new perspective through which to contemplate the question of “hot-spots” responsible for failure of high-performance structural materials.

36 MATERIALS SCIENCE↗

Probing nucleon's spin structures with polarized Drell-Yan in the Fermilab SpinQuest experiment

Although the proton was discovered about 100 years ago, its spin structure still remains a mystery. Recent studies suggest that the orbital angular momentum of sea quarks could significantly contribute to the proton's spin. The SeaQuest experiment, which recently completed data collection, probed the unpolarized light quark sea distributions of the proton using the Drell-Yan process. Its successor, the SpinQuest (E1039), will access the $\bar{u}$ and $\bar{d}$ Sivers functions using polarized NH$_3$ and ND$_3$ targets. A non-zero Sivers asymmetry, observed in SpinQuest, would be a strong indication of non-zero sea-quark orbital angular momentum. The SpinQuest experiment can also probe the sea quark's transversity distribution, which is relevant for the determination of proton's tensor charge. Recent study suggests that sea-quarks might contribute significantly to deuteron's tensor polarized structure functions. This can be further probed in SpinQuest using tensor polarized ND$_3$ target. The current status and future plan of the experiment are presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The nonlinear Galerkin method: A multi-scale method applied to the simulation of homogeneous turbulent flows

Using results of Direct Numerical Simulation (DNS) in the case of two-dimensional homogeneous isotropic flows, the behavior of the small and large scales of Kolmogorov like flows at moderate Reynolds numbers are first analyzed in detail. Several estimates on the time variations of the small eddies and the nonlinear interaction terms were derived; those terms play the role of the Reynolds stress tensor in the case of LES. Since the time step of a numerical scheme is determined as a function of the energy-containing eddies of the flow, the variations of the small scales and of the nonlinear interaction terms over one iteration can become negligible by comparison with the accuracy of the computation. Based on this remark, a multilevel scheme which treats differently the small and the large eddies was proposed. Using mathematical developments, estimates of all the parameters involved in the algorithm, which then becomes a completely self-adaptive procedure were derived. Finally, realistic simulations of (Kolmorov like) flows over several eddy-turnover times were performed. The results are analyzed in detail and a parametric study of the nonlinear Galerkin method is performed.

Debussche, A.↗

The electron canonical battery effect in magnetic reconnection: Completion of the electron canonical vorticity framework

A widespread practice in studying magnetic reconnection is to examine the electron momentum equation. Here, we present an alternative, ab initio framework that examines the motion of the electron canonical vorticity, which is the curl of the electron canonical momentum. The competition between just two terms—the convective term and the electron canonical battery term—determines the dynamics of electron canonical vorticity and equivalently the electron physics down to first principles. To demonstrate the power of this approach, the growth, saturation, stability, and morphology of the electron diffusion region are explained within the electron canonical vorticity framework. The framework provides a clear distinction between reconnection models where the frozen-in property of the magnetic field is violated by electron inertia and by pressure tensor effects such as electron viscosity.

25 ENERGY STORAGE↗

Reduced scaling formulation of CASPT2 analytical gradients using the supporting subspace method

We present a reduced scaling and exact reformulation of state specific complete active space second-order perturbation (CASPT2) analytical gradients in terms of the MP2 and Fock derivatives using the supporting subspace method. This work follows naturally from the supporting subspace formulation of the CASPT2 energy in terms of the MP2 energy using dressed orbitals and Fock builds. For a given active space configuration, the terms corresponding to the MP2-gradient can be evaluated with O(N5) operations, while the rest of the calculations can be computed with O(N3) operations using Fock builds, Fock gradients, and linear algebra. When tensor-hyper-contraction is applied simultaneously, the computational cost can be further reduced to O(N4) for a fixed active space size. The new formulation enables efficient implementation of CASPT2 analytical gradients by leveraging the existing graphical processing unit (GPU)-based MP2 and Fock routines. We present benchmark results that demonstrate the accuracy and performance of the new method. Example applications of the new method in ab initio molecular dynamics simulation and constrained geometry optimization are given.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗