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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Hybrid eigensolvers for nuclear configuration interaction calculations

We examine and compare several iterative methods for solving large-scale eigenvalue problems arising from nuclear structure calculations. In particular, we discuss the possibility of using block Lanczos method, a Chebyshev filtering based subspace iterations and the residual minimization method accelerated by direct inversion of iterative subspace (RMM-DIIS) and describe how these algorithms compare with the standard Lanczos algorithm and the locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm. Although the RMM-DIIS method does not exhibit rapid convergence when the initial approximations to the desired eigenvectors are not sufficiently accurate, it can be effectively combined with either the block Lanczos or the LOBPCG method to yield a hybrid eigensolver that has several desirable properties. We will describe a few practical issues that need to be addressed to make the hybrid solver efficient and robust.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

A Refinement-by-Superposition -Method for (curl)- and (div)-Conforming Discretizations

Here, we present refinement-by-superposition (RBS) hp-refinement infrastructure for computational electromagnetics (CEMs), which permits exponential rates of convergence. In contrast to dominant approaches to hp-refinement for continuous Galerkin methods, which rely on explicit constraint equations, the multilevel strategy presented drastically reduces the implementation complexity. Through the RBS methodology, enforcement of continuity occurs by construction, enabling arbitrary levels of refinement with ease, and without the practical (but not theoretical) limitations of constrained-node refinement. We outline the construction of the RBS hp-method for refinement with H (curl)- and H (div)-conforming finite cells. Numerical simulations for the 2-D finite element method (FEM) solution of the Maxwell eigenvalue problem demonstrate the effectiveness of RBS hp-refinement. As an additional goal of this work, we aim to promote the use of mixed-order (low- and high-order) elements in practical CEM applications.

42 ENGINEERING↗
DOE OSTI2022

Sampling electronic structure quadratic unconstrained binary optimization problems (QUBOs) with Ocean and Mukai solvers

The most advanced D-Wave Advantage quantum annealer has 5000+ qubits, however, every qubit is connected to a small number of neighbors. As such, implementation of a fully-connected graph results in an order of magnitude reduction in qubit count. To compensate for the reduced number of qubits, one has to rely on special heuristic software such as qbsolv, the purpose of which is to decompose a large quadratic unconstrained binary optimization (QUBO) problem into smaller pieces that fit onto a quantum annealer. In this work, we compare the performance of the open-source qbsolv which is a part of the D-Wave Ocean tools and a new Mukai QUBO solver from Quantum Computing Inc. (QCI). The comparison is done for solving the electronic structure problem and is implemented in a classical mode (Tabu search techniques). The Quantum Annealer Eigensolver is used to map the electronic structure eigenvalue-eigenvector equation to a QUBO problem, solvable on a D-Wave annealer. We find that the Mukai QUBO solver outperforms the Ocean qbsolv with one to two orders of magnitude more accurate energies for all calculations done in the present work, both the ground and excited state calculations. This work stimulates the further development of software to assist in the utilization of modern quantum annealers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

New Cross Section Measurements and Evaluations of Zirconium Isotopes [Slides]

This presentation gives a look to new cross section measurements and evaluations of Zirconium (Zr) isotopes. This lecture includes highlights of accomplishments made in 2022. Additionally, it explains the motivation for investigation, new measurements, and re-evaluation of the Zr isotopes. This presentation concludes with a preliminary evaluation result from RPI 90 Zr evaluation and preliminary results from Eigenvalue sensitivity study on Zr sensitive critical benchmark experiments.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2026

Control Parameter Sensitivity Study for Inverter-Based-Resource Dominated Grids: A Small Signal Stability Approach and Framework

The growing adoption of renewable energy is driving the prevalence of inverter-based resources (IBRs) within power grids. Future power grids will integrate both grid-following IBRs (GFM-IBRs) and grid-forming IBRs (GFL-IBRs) alongside synchronous generators. Therefore, it is crucial to perform stability studies that account for all components and especially control interactions related to IBRs. Extensive research has performed to study the IBR-related stability, however, the sensitivity study of IBRs' control parameters on system stability has not been adequately studied yet, especially from a systematic way. Therefore, this paper conducts a small signal stability analysis for a generic grid with multiple types of resources and develops an analytical framework for assessing the sensitivity of control parameters affecting stability margins. To achieve that, the non-autonomous reduced-order non-linear dynamic model is developed for a generic power system with multiple synchronous generator-based resources (SGBRs), GFM-IBRs, and GFL-IBRs. Based on the analytic model, a systematic framework for parametric sensitivity on systems' asymptotic stability is developed. A parameter sensitivity analysis based on eigenvalue methods is proposed. The impact of the droop controllers of GFM-IBRs, PQ-dispatch and the PLL controller of GFL-IBR on the system asymptotic stability is discussed. This sensitivity study is aiming to provide deep insights on control parameters' impact on system stability, and gives direction for parameter tuning in case of instability.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Bounds on spectral gaps of Hyperbolic spin surfaces

We describe a method for constraining Laplacian and Dirac spectra of two dimensional compact orientable hyperbolic spin manifolds and orbifolds. The key ingredient is an infinite family of identities satisfied by the spectra. These spectral identities follow from the consistency between 1) the spectral decomposition of functions on the spin bundle into irreducible representations of SL(2,R) and 2) associativity of pointwise multiplication of functions. Applying semidefinite programming methods to our identities produces rigorous upper bounds on the Laplacian spectral gap as well as on the Dirac spectral gap conditioned on the former. In several examples, our bounds are nearly sharp; a numerical algorithm based on the Selberg trace formula shows that the [0;3,3,5] orbifold, a particular surface with signature [1;3], and the Bolza surface nearly saturate the bounds at genus 0, 1 and 2 respectively. Under additional assumptions on the number of harmonic spinors carried by the spin-surface, we obtain more restrictive bounds on the Laplacian spectral gap. In particular, these bounds apply to hyperelliptic surfaces. We also determine the set of Laplacian spectral gaps attained by all compact orientable two-dimensional hyperbolic spin orbifolds. We show that this set is upper bounded by 12.13798; this bound is nearly saturated by the [0;3,3,5] orbifold, whose first non-zero Laplacian eigenvalue is λ^(0)_1 ≈ 12.13623.

Spectral theory↗
DOE OSTI2022

Analysis of SCALE Criticality and Sensitivity Calculations for Reflected HEU Cylinders [Abstract]

The SCALE code package offers several nuclear data libraries to support Monte Carlo (MC) transport, as well as MC-based derivation of $\kappa$ eff sensitivity and uncertainty (S/U) data. The CSAS sequence using the KENO MC code can utilize continuous-energy (CE) cross sections, or pre-generated multigroup (MG) cross section libraries. The use of MG libraries introduces bias into calculations in exchange for faster transport solutions. The TSUNAMI-3D sequence also utilizes KENO MC calculations. TSUNAMI-3D has two CE calculational methods: the Iterated Fission Probability (IFP) method, and the Contribution-Linked eigenvalue sensitivity/Uncertainty estimation via Tracklength importance CHaracterization (CLUTCH) method. Previous work has shown poor agreement between CLUTCH and confirmatory direct perturbation calculations in specific applications, e.g., fissionable and polyethylene reflectors

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Why it is Unfortunate that Linear Machine Learning “Works” so well in Electromechanical Switching of Ferroelectric Thin Films

Machine learning (ML) is relied on for materials spectroscopy. It is challenging to make ML models fail because statistical correlations can mimic the physics without causality. Here, using a benchmark band-excitation piezoresponse force microscopy polarization spectroscopy (BEPS) dataset the pitfalls of the so-called “better”, “faster”, and “less-biased” ML of electromechanical switching are demonstrated and overcome. Using a toy and real experimental dataset, it is demonstrated how linear nontemporal ML methods result in physically reasonable embedding (eigenvalues) while producing nonsensical eigenvectors and generated spectra, promoting misleading interpretations. A new method of unsupervised multimodal hyperspectral analysis of BEPS is demonstrated using long-short-term memory (LSTM) β-variational autoencoders (β-VAEs) . By including LSTM neurons, the ordinal nature of ferroelectric switching is considered. Further, to improve the interpretability of the latent space, a variational Kullback–Leibler-divergency regularization is imposed . Finally, regularization scheduling of β as a disentanglement metric is leveraged to reduce user bias. Combining these experiment-inspired modifications enables the automated detection of ferroelectric switching mechanisms, including a complex two-step, three-state one. Ultimately, this work provides a robust ML method for the rapid discovery of electromechanical switching mechanisms in ferroelectrics and is applicable to other multimodal hyperspectral materials spectroscopies.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Data‐driven variational method for discrepancy modeling: Dynamics with small‐strain nonlinear elasticity and viscoelasticity

Abstract The effective inclusion of a priori knowledge when embedding known data in physics‐based models of dynamical systems can ensure that the reconstructed model respects physical principles, while simultaneously improving the accuracy of the solution in the previously unseen regions of state space. This paper presents a physics‐constrained data‐driven discrepancy modeling method that variationally embeds known data in the modeling framework. The hierarchical structure of the method yields fine scale variational equations that facilitate the derivation of residuals which are comprised of the first‐principles theory and sensor‐based data from the dynamical system. The embedding of the sensor data via residual terms leads to discrepancy‐informed closure models that yield a method which is driven not only by boundary and initial conditions, but also by measurements that are taken at only a few observation points in the target system. Specifically, the data‐embedding term serves as residual‐based least‐squares loss function, thus retaining variational consistency. Another important relation arises from the interpretation of the stabilization tensor as a kernel function, thereby incorporating a priori knowledge of the problem and adding computational intelligence to the modeling framework. Numerical test cases show that when known data is taken into account, the data driven variational (DDV) method can correctly predict the system response in the presence of several types of discrepancies. Specifically, the damped solution and correct energy time histories are recovered by including known data in the undamped situation. Morlet wavelet analyses reveal that the surrogate problem with embedded data recovers the fundamental frequency band of the target system. The enhanced stability and accuracy of the DDV method is manifested via reconstructed displacement and velocity fields that yield time histories of strain and kinetic energies which match the target systems. The proposed DDV method also serves as a procedure for restoring eigenvalues and eigenvectors of a deficient dynamical system when known data is taken into account, as shown in the numerical test cases presented here.

Masud, Arif↗
DOE OSTI2022

Analysis of sparse recovery for Legendre expansions using envelope bound

We provide novel sufficient conditions for the uniform recovery of sparse Legendre expansions using ℓ 1 minimization, where the sampling points are drawn according to orthogonalization (uniform) measure. So far, conditions of the form m ≳ Θ 2 s x log factors have been relied on to determine the minimum number of samples m that guarantees successful reconstruction of s-sparse vectors when the measurement matrix is associated to an orthonormal system. However, in case of sparse Legendre expansions, the uniform bound Θ of Legendre systems is so high that these conditions are unable to provide meaningful guarantees. Here, in this paper, we present an analysis which employs the envelop bound of all Legendre polynomials instead, and prove a new recovery guarantee for s-sparse Legendre expansions, m ≳ Θs 2 x log factors, which is independent of Θ. Arguably, this is the first recovery condition established for orthonormal systems without assuming the uniform boundedness of the sampling matrix. The key ingredient of our analysis is an extension of chaining arguments, recently developed in Bourgain and Chkifa et al., to handle the envelope bound. Furthermore, our recovery condition is proved via restricted eigenvalue property, a less demanding replacement of restricted isometry property which is perfectly suited to the considered scenario. Along the way, we derive simple criteria to detect good sample sets. Our numerical tests show that sets of uniformly sampled points that meet these criteria will perform better recovery on average.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

An effective matrix model for dynamical end of the world branes in Jackiw-Teitelboim gravity

We study Jackiw-Teitelboim gravity with dynamical end of the world branes in asymptotically nearly AdS2 spacetimes. We quantize this theory in Lorentz signature, and compute the Euclidean path integral summing over topologies including dynamical branes. The latter will be seen to exactly match with a modification of the SSS matrix model. The resolution of UV divergences in the gravitational instantons involving the branes will lead us to understand the matrix model interpretation of the Wilsonian effective theory perspective on the gravitational theory. We complete this modified SSS matrix model nonperturbatively by extending the integration contour of eigenvalues into the complex plane. Furthermore, we give a new interpretation of other phases in such matrix models. We derive an effective W(Φ) dilaton gravity, which exhibits similar physics semiclassically. In the limit of a large number of flavors of branes, the effective extremal entropy S0,eff has the form of counting the states of these branes.

2D Gravity↗
DOE OSTI2025

Looking at extremal black holes from very far away

Near-extremal black holes are subject to large quantum effects, which modify their low-temperature thermodynamic behavior. Hitherto, these quantum effects were analyzed by separating the geometry into the near-horizon region and its exterior. It is desirable to understand and reproduce such corrections from the full higher-dimensional asymptotically flat or AdS geometry’s perspective. We address this question in this article and fill this gap. Specifically, we find off-shell eigenmodes of the quadratic fluctuation operator of the Euclidean gravitational dynamics, with eigenvalues that vanish linearly with temperature. We illustrate this for BTZ and neutral black holes with hyperbolic horizons in AdS in Einstein-Hilbert theory, and for the charged black holes in Einstein-Maxwell theory. The linear scaling with Matsubara frequency, which is a distinctive feature of the modes, together with the fact that their wavefunctions localize close to the horizon as we approach extremality, identifies them as responsible for the aforementioned quantum effects. We provide a contour prescription to deal with the sign indefiniteness of the Euclidean Einstein-Maxwell action, which we derive to aid our analysis. We also resolve a technical puzzle regarding modes associated with rotational isometries in stationary black hole spacetimes.

AdS-CFT Correspondence↗
DOE OSTI2022

Entanglement in the Quantum Hall Matrix Model

Characterizing the entanglement of matrix degrees of freedom is essential for understanding the holographic emergence of spacetime. The Quantum Hall Matrix Model is a gauged U(N) matrix quantum mechanics with two matrices whose ground state is known exactly and describes an emergent spatial disk with incompressible bulk dynamics. We define and compute an entanglement entropy in the ground state associated to a cut through the disk. There are two contributions. A collective field describing the eigenvalues of one of the matrices gives a gauge-invariant chiral boundary mode leading to an expected logarithmic entanglement entropy. Further, the cut through the bulk splits certain ‘off-diagonal’ matrix elements that must be duplicated and associated to both sides of the cut. Sewing these duplicated modes together in a gauge-invariant way leads to a bulk ‘area law’ contribution to the entanglement entropy. All of these entropies are regularized by finite N.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Fuzzy spheres in stringy matrix models: quantifying chaos in a mixed phase space

We consider a truncation of the BMN matrix model to a configuration of two fuzzy spheres, described by two coupled non-linear oscillators dependent on the mass parameter μ. The classical phase diagram of the system generically (μ ≠ 0) contains three equilibrium points: two centers and a center-saddle; as μ → 0 the system exhibits a pitchfork bifurcation. We demonstrate that the system is exactly integrable in quadratures for μ = 0, while for very large values of μ, it approaches another integrable point characterized by two harmonic oscillators. The classical phase space is mixed, containing both integrable islands and chaotic regions, as evidenced by the classical Lyapunov spectrum. At the quantum level, we explore indicators of early and late time chaos. The eigenvalue spacing is best described by a Brody distribution, which interpolates between Poisson and Wigner distributions; it dovetails, at the quantum level, the classical results and reemphasizes the notion that the quantum system is mixed. We also study the spectral form factor and the quantum Lyapunov exponent, as defined by out-of-time-ordered correlators. These two indicators of quantum chaos exhibit weak correlations with the Brody distribution. We speculate that the behavior of the system as μ → 0 dominates the spectral form factor and the quantum Lyapunov exponent, making these indicators of quantum chaos less effective in the context of a mixed phase space.

AdS-CFT correspondence↗
DOE OSTI2021

The efficacy of event isotropy as an event shape observable

Event isotropy $\mathcal{I}$ sph , an event shape observable that measures the distance of a final state from a spherically symmetric state, is designed for new physics signals that are far from QCD-like. Using a new technique for producing a wide variety of signals that can range from near-spherical to jetty, we compare event isotropy to other observables. We show that thrust T and the C parameter (and λ max , the largest eigenvalue of the sphericity matrix) are strongly correlated and thus redundant, to a good approximation. By contrast, event isotropy adds considerable information, often serving to break degeneracies between signals that would have almost identical T and C distributions. Signals with broad distributions in T (or λ max ) and in $\mathcal{I}$ sph separately often have much narrower distributions, and are more easily distinguished, in the ($\mathcal{I}$ sph , λ max ) plane. An intuitive, semi-analytic estimation technique clarifies why this is the case and assists with the interpretation of the distributions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Lattice realizations of topological defects in the critical (1+1)-d three-state Potts model

Topological/perfectly-transmissive defects play a fundamental role in the analysis of the symmetries of two dimensional conformal field theories (CFTs). In the present work, spin chain regularizations for these defects are proposed and analyzed in the case of the three-state Potts CFT. In particular, lattice versions for all the primitive defects are presented, with the remaining defects obtained from the fusion of the primitive ones. The defects are obtained by introducing modified interactions around two given sites of an otherwise homogeneous spin chain with periodic boundary condition. The various primitive defects are topological on the lattice except for one, which is topological only in the scaling limit. The lattice models are analyzed using a combination of exact diagonalization and density matrix renormalization group techniques. Low-lying energy spectra for different defect Hamiltonians as well as entanglement entropy of blocks located symmetrically around the defects are computed. The latter provides a convenient way to compute the g-function which characterizes various defects. Finally, the eigenvalues of the line operators in the “crossed channel” and fusion of different defect lines are also analyzed. The results are all in agreement with expectations from conformal field theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Boson star normal modes

Boson stars are gravitationally bound objects that arise in ultralight dark matter models and form in the centers of galactic halos or axion miniclusters. We systematically study the excitations of a boson star, taking into account the mixing between positive and negative frequencies introduced by gravity. We show that the spectrum contains zero-energy modes in the monopole and dipole sectors resulting from spontaneous symmetry breaking by the boson star background. We analyze the general properties of the eigenmodes and derive their orthogonality and completeness conditions which have non-standard form due to the positive-negative frequency mixing. The eigenvalue problem is solved numerically for the first few energy levels in different multipole sectors and the results are compared to the solutions of the Schrödinger equation in fixed boson star gravitational potential. The two solutions differ significantly for the lowest modes, but get close for higher levels. We further confirm the normal mode spectrum in 3D wave simulations where we inject perturbations with different multipoles. As an application of the normal mode solutions, we compute the matrix element entering the evaporation rate of a boson star immersed in a hot axion gas. The computation combines the use of exact wavefunctions for the low-lying bound states and of the Schrödinger approximation for the high-energy excitations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Generalized boost transformations in finite volumes and application to Hamiltonian methods

The investigation of hadron interactions within lattice QCD has been facilitated by the well-known quantisation condition, linking scattering phase shifts to finite-volume energies. Additionally, the ability to utilise systems at finite total boosts has been pivotal in smoothly charting the energy-dependent behaviour of these phase shifts. The existing implementations of the quantization condition at finite boosts rely on momentum transformations between rest and moving frames, defined directly in terms of the energy eigenvalues. This energy dependence is unsuitable in the formulation of a Hamiltonian. In this work, we introduce a novel approach to generalise the three-momentum boost prescription, enabling the incorporation of energy-independent finite-volume Hamiltonians within moving frames. We demonstrate the application of our method through numerical comparisons, employing a phenomenological ππ scattering example.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗