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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

A nonperturbative light-front coupled-cluster method

The nonperturbative Hamiltonian eigenvalue problem for bound states of a quantum field theory is formulated in terms of Dirac's light-front coordinates and then approximated by the exponential-operator technique of the many-body coupled-cluster method. This approximation eliminates any need for the usual approximation of Fock-space truncation. Instead, the exponentiated operator is truncated, and the terms retained are determined by a set of nonlinear integral equations. These equations are solved simultaneously with an effective eigenvalue problem in the valence sector, where the number of constituents is small. Matrix elements can be calculated, with extensions of techniques from standard coupled-cluster theory, to obtain form factors and other observables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Pure Yang–Mills Solutions on dS{sub 4}

We consider pure SU(2) Yang–Mills theory on four-dimensional de Sitter space dS{sub 4} and construct smooth and spatially homogeneous classical Yang–Mills fields. Slicing dS{sub 4} as R×S{sup 3}, via an SU(2)-equivariant ansatz we reduce the Yang–Mills equations to ordinary matrix differential equations and further to Newtonian dynamics in a particular three-dimensional potential. Its classical trajectories yield spatially homogeneous Yang–Mills solutions in a very simple explicit form, depending only on de Sitter time with an exponential decay in the past and future. These configurations have not only finite energy, but their action is also finite and bounded from below. We present explicit coordinate representations of the simplest examples (for the fundamental SU(2) representation). Instantons (Yang–Mills solutions on the Wick-rotated S{sup 4} ) and solutions on AdS{sub 4} are also briefly discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1993

A multigrid solver for the semiconductor equations

We present a multigrid solver for the exponential fitting method. The solver is applied to the current continuity equations of semiconductor device simulation in two dimensions. The exponential fitting method is based on a mixed finite element discretization using the lowest-order Raviart-Thomas triangular element. This discretization method yields a good approximation of front layers and guarantees current conservation. The corresponding stiffness matrix is an M-matrix. 'Standard' multigrid solvers, however, cannot be applied to the resulting system, as this is dominated by an unsymmetric part, which is due to the presence of strong convection in part of the domain. To overcome this difficulty, we explore the connection between Raviart-Thomas mixed methods and the nonconforming Crouzeix-Raviart finite element discretization. In this way we can construct nonstandard prolongation and restriction operators using easily computable weighted L(exp 2)-projections based on suitable quadrature rules and the upwind effects of the discretization. The resulting multigrid algorithm shows very good results, even for real-world problems and for locally refined grids.

Bachmann, Bernhard↗
NASA NTRS2001

Inherent and Apparent Scattering Properties of Coated or Uncoated Spheres Embedded in an Absorbing Host Medium

The conventional Lorenz-Mie formalism is extended to the scattering process associated with a coated sphere embedded in an absorbing medium. It is shown that apparent and inherent scattering cross sections of a scattering particle, which are identical in the case of transparent host medium, are different if the host medium is absorptive. Here the inherent single-scattering properties are derived from the near-field information whereas the corresponding apparent counterparts are derived from the far-field asymptotic form of the scattered wave with scaling of host absorption that is assumed to be in an exponential form. The formality extinction and scattering efficiencies defined in the same manner as in the conventional sense can be unbounded. For a nonabsorptive particle embedded in an absorbing medium, the effect of host absorption on the phase matrix elements associated with polarization is significant. This effect, however, is largely reduced for strongly absorptive particles such as soot. For soot particles coated with water, the impurity can substantially reduce the single-scattering albedo of the particle if the size parameter is small. For water-coating soot and hollow ice spheres, it is shown that the phase matrix elements -P(sub 12)/P(sub 11) and P(sub 33)/P(sub 11) are unique if the shell is thin, as compared with the case for thick shell. Furthermore, the radiative transfer equation regarding a multidisperse particle system in an absorbing medium is discussed. It is illustrated that the conventional computation algorithms can be applied to solve the multiple scattering process if the scaled apparent single-scattering properties are applied.

Yang, P.↗
DOE OSTI2022

Developing Reaction Chemistry Models from Reactive Molecular Dynamics: TATB

Reactive Molecular Dynamic (RMD) are used to simulate the cook-off chemistry of TATB at a variety of fixed density and fixed temperature conditions. The chemical transformations are monitored using a Coordination Geometry Analysis (CGA) approach which tracks which atom types are bonded to each specific atom. This particularly identifies oxidation state changes that occur during the transformations. Correlations between these different chemical changes are identified using a Non-negative Matrix Factorization (NMF) approach. These identify reduced order chemistry models for the TATB system which contains six components whose concentration profiles are a function of both the temperature and density/pressure. The time histories of these transformations appear to show exponential growth/decay properties that could be fit with Arrhenius rates. These components should form the basis of deflagration rate models for these materials which could then be used in mesoscale simulations to analyze accidental initiation, shock-to-detonation and detonation propagation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Subleading corrections in $ \mathcal{N} $ = 3 Gaiotto-Tomasiello theory

We study subleading corrections to the genus-zero free energy of the N = 3 Gaiotto-Tomasiello theory. In general, we obtain the endpoints and free energy as a set of parametric equations via contour integrals of the planar resolvent, up to exponentially suppressed corrections. In the particular case that the two gauge groups in the quiver are of equal rank, we find an explicit (perturbative) expansion for the free energy. If, additionally, both groups have equal levels, then we find the full expression for the genus-zero free energy, modulo exponentially suppressed corrections. We also verify our results numerically.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Refinements for Bragg coherent X-ray diffraction imaging: electron backscatter diffraction alignment and strain field computation

Bragg coherent X-ray diffraction imaging (BCDI) allows the 3D measurement of lattice strain along the scattering vector for specific microcrystals. If at least three linearly independent reflections are measured, the 3D variation of the full lattice strain tensor within the microcrystal can be recovered. However, this requires knowledge of the crystal orientation, which is typically attained via estimates based on crystal geometry or synchrotron microbeam Laue diffraction measurements. Presented here is an alternative method to determine the crystal orientation for BCDI measurements using electron backscatter diffraction (EBSD) to align Fe–Ni and Co–Fe alloy microcrystals on three different substrates. The orientation matrix is calculated from EBSD Euler angles and compared with the orientation determined using microbeam Laue diffraction. The average angular mismatch between the orientation matrices is less than ∼6°, which is reasonable for the search for Bragg reflections. The use of an orientation matrix derived from EBSD is demonstrated to align and measure five reflections for a single Fe–Ni microcrystal via multi-reflection BCDI. Using this data set, a refined strain field computation based on the gradient of the complex exponential of the phase is developed. This approach is shown to increase accuracy, especially in the presence of dislocations. The results demonstrate the feasibility of using EBSD to pre-align BCDI samples and the application of more efficient approaches to determine the full lattice strain tensor with greater accuracy.

42 ENGINEERING↗
DOE OSTI2025

Beyond fragmented dopant dynamics in quantum spin lattices: Robust localization and non-Gaussian diffusion

The motion of dopants in magnetic spin lattices has received tremendous attention for at least four decades due to its connection to high-temperature superconductivity. Despite these efforts, we lack a complete understanding of their behavior, especially out of the equilibrium and at nonzero temperatures. In this paper, we take a significant step towards a much deeper understanding based on state-of-the-art matrix-product-state calculations. In particular, we investigate the nonequilibrium dynamics of a dopant in two-leg 𝑡−𝐽 ladders with antiferromagnetic XXZ spin interactions. In the Ising limit, we find that the dopant is localized for all investigated nonzero temperatures due to an emergent disordered potential, with a localization length controlled by the underlying correlation length of the spin lattice, which increases exponentially with decreasing temperature. The dopant, hereby, only delocalizes asymptotically in the zero temperature limit. This greatly generalizes the localization effect discovered recently in Hilbert space fragmented models [Phys. Rev. Res. 6, 023325 (2024), SciPost Phys. Core 7, 054 (2024)]. In the presence of spin-exchange processes at rate 𝛼, the dopant diffuses with a diffusion coefficient, 𝐷 ℎ , depending nonmonotonically on 𝛼. It initially increases linearly as 𝐷 ℎ ∝ 𝛼 for 𝛼 ≪ 1 before dropping off as 𝛼 −1 for 𝛼 > 1. Moreover, we show that the underlying spin dynamics at infinite temperature behaves qualitatively the same, albeit with important quantitative differences. We substantiate these findings by showing that the dynamics features self-similar scaling behavior, which strongly deviates from the Gaussian behavior of regular diffusion, especially for weak spin exchange. Finally, we show that the diffusion coefficient 𝐷 ℎ follows an Arrhenius relation at high temperatures, whereby it is exponentially suppressed upon cooling.

Anomalous diffusion↗
DOE OSTI2021

Quantum many-body simulations of the two-dimensional Fermi-Hubbard model in ultracold optical lattices

Understanding quantum many-body states of correlated electrons is one main theme in modern condensed-matter physics. Given that the Fermi-Hubbard model, the prototype of correlated electrons, was recently realized in ultracold optical lattices, it is highly desirable to have controlled numerical methodology to provide precise finite-temperature results upon doping to directly compare with experiments. Here, we demonstrate the exponential tensor renormalization group (XTRG) algorithm [Chen et al., Phys. Rev. X 8, 031082 (2018)], complemented by independent determinant quantum Monte Carlo, offers a powerful combination of tools for this purpose. XTRG provides full and accurate access to the density matrix and thus various spin and charge correlations, down to an unprecedented low temperature of a few percent of the tunneling energy. Finally, we observe excellent agreement with ultracold fermion measurements at both half filling and finite doping, including the sign-reversal behavior in spin correlations due to formation of magnetic polarons, and the attractive hole-doublon and repulsive hole-hole pairs that are responsible for the peculiar bunching and antibunching behaviors of the antimoments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

A Low-Rank QTT-based Finite Element Method for Elasticity Problems

We present an efficient and robust numerical algorithm for solving the linear elasticity problem that combines the Quantized Tensor Train format and a domain partitioning strategy. This approach makes it possible to solve the linear elasticity problem on a computational domain that is more general than a square. By integrating Z-ordering and subdomain concatenation, our method substantially decreases memory usage and achieves a notable reduction in rank compared to established Finite Element implementations like the FEniCS platform. This efficiency is maintained while still guaranteeing exponential convergence with respect to the number of degrees of freedom. This performance gain, however, requires a fundamental rethinking of how core finite element operations are implemented. This includes changes to mesh discretization, node and degree of freedom ordering, stiffness matrix and internal nodal force assembly, and the execution of algebraic matrix-vector operations. In this work, we discuss all these aspects in detail and assess the method’s performance in the numerical approximation of three representative test cases.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1975

Rapid methods for calculating radiation transport in the entry environment

A procedure is developed for the prediction of radiation transport events in the context of the entry heating environment. The equivalent-width and exponential approximations are employed to reduce the computational requirements of the governing equations. Novel features are introduced in the use of an Elsasser band model to estimate line overlapping events and in the formulation of the wall reflection events. A matrix of calculations is presented to allow an assessment of the trade-offs between accuracy and computational efforts. It is concluded that the equivalent width model allows significant savings in computational effort with only modest penalties in accuracy. Consequently, the model should be viewed as an attractive candidate for use in radiation-coupled flow field prediction procedures.

Nicolet, W. E.↗
DOE OSTI2025

Classical eikonal from Magnus expansion

In a classical scattering problem, the classical eikonal is defined as the generator of the canonical transformation that maps in-states to out-states. It can be regarded as the classical limit of the log of the quantum S-matrix. In a classical analog of the Born approximation in quantum mechanics, the classical eikonal admits an expansion in oriented tree graphs, where oriented edges denote retarded/advanced worldline propagators. The Magnus expansion, which takes the log of a time-ordered exponential integral, offers an efficient method to compute the coefficients of the tree graphs to all orders. We exploit a Hopf algebra structure behind the Magnus expansion to develop a fast algorithm which can compute the tree coefficients up to the 12th order (over half a million trees) in less than an hour. In a relativistic setting, our methods can be applied to the post-Minkowskian (PM) expansion for gravitational binaries in the worldline formalism. We demonstrate the methods by computing the 3PM eikonal and find agreement with previous results based on amplitude methods. Importantly, the Magnus expansion yields a finite eikonal, while the naïve eikonal based on the time-symmetric propagator is infrared-divergent from 3PM on.

Black Holes↗
DOE OSTI2026

Data-Driven Performance Optimization of Gamma Spectrometers With Many Channels

In gamma spectrometers with variable spectroscopic performance across many channels (e.g., many pixels or voxels), a tradeoff exists between including data from successively worse-performing readout channels and increasing efficiency. Brute-force calculation of the optimal set of included channels is exponentially infeasible as the number of channels grows, and approximate methods are required. In this work, we present a data-driven framework for attempting to find near-optimal sets of included detector channels. The framework leverages non-negative matrix factorization (NMF) to learn the behavior of gamma spectra across the detector and clusters similarly-performing detector channels together. Performance comparisons are then made between spectra with channel clusters removed, which is more feasible than brute force. The framework is general and can be applied to arbitrary, user-defined performance metrics depending on the application. We apply this framework to optimizing gamma spectra measured by H3D M400 CdZnTe (CZT) spectrometers, which exhibit variable performance across their crystal volumes. In particular, we show several examples optimizing various performance metrics for uranium and plutonium gamma spectra in non-destructive assay (NDA) for nuclear safeguards, and explore trends in performance versus parameters such as clustering algorithm type. We also compare the NMF + clustering pipeline to several non-machine-learning (ML) algorithms, including several greedy algorithms. Although, we find that the NMF + clustering pipeline tends to find the best-performing set of detector voxels, significantly improving over the unoptimized spectra, but that a greedy accumulation of spectra segmented by detector depth can, in some cases, give similar performance improvements in much less computation time.

Energy resolution↗
NASA NTRS2001

Long-Term Creep and Creep Rupture Behavior of Woven Ceramic Matrix Composites

Tensile creep behavior of SiC/SiNC ceramic matrix composites at elevated temperatures and at various stress levels have been investigated for turbine engine applications. The objective of this research is to present creep behavior of SiC/SiCN composites at stress levels above and below the monotonic proportional limit strength and predict the life at creep rupture conditions. Tensile creep-rupture tests were performed on an Instron 8502 servohydraulic testing machine at constant load conditions up to a temperature limit of 1000 C. Individual creep curves indicate three stages such as primary, secondary, and tertiary. The creep rate increased linearly at an early stage and then gradually became exponential at higher strains. The stress exponent and activation energy were also obtained at 700 and 1000 C. The specimen lifetime was observed to be 55 hrs at 121 MPa and at 700 C. The life span reduced to 35 hrs at 143 MPa and at 1000 C. Scanning electron microscopy observations revealed significant changes in the crystalline phases and creep damage development. Creep failures were accompanied by extensive fiber pullout, matrix cracking, and debonding along with fiber fracture. The creep data was applied to Time-Temperature-Stress superposition model and the Manson-Haferd parametric model for long-time life prediction.

Haque, A.↗
DOE OSTI2020

Spectral fluctuations in the Sachdev-Ye-Kitaev model

We present a detailed quantitative analysis of spectral correlations in the Sachdev-Ye-Kitaev (SYK) model. We find that the deviations from universal Random Matrix Theory (RMT) behavior are due to a small number of long-wavelength fluctuations (of the order of the number of Majorana fermions N ) from one realization of the ensemble to the next one. These modes can be parameterized effectively in terms of Q-Hermite orthogonal polynomials, the main contribution being due to scale fluctuations for which we give a simple analytical estimate. Our numerical results for N = 32 show that only the lowest eight polynomials are needed to eliminate the nonuniversal part of the spectral fluctuations. The covariance matrix of the coefficients of this expansion can be obtained analytically from low-order double-trace moments. We evaluate the covariance matrix of the first six moments and find that it agrees with the numerics. We also analyze the spectral correlations in terms of a nonlinear σ-model, which is derived through a Fierz transformation, and evaluate the one and two-point spectral correlation functions to two-loop order. The wide correlator is given by the sum of the universal RMT result and corrections whose lowest-order term corresponds to scale fluctuations. However, the loop expansion of the σ-model results in an ill-behaved expansion of the resolvent, and it gives universal RMT fluctuations not only for q= 4 or higher even q-body interactions, but also for the q= 2 SYK model albeit with a much smaller Thouless energy while the correct result in this case should have been Poisson statistics. In our numerical studies we analyze the number variance and spectral form factor for N = 32 and q = 4. We show that the quadratic deviation of the number variance for large energies appears as a peak for small times in the spectral form factor. After eliminating the long-wavelength fluctuations, we find quantitative agreement with RMT up to an exponentially large number of level spacings for the number variance or exponentially short times in the case of the spectral form factor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2023

Extended Kalman Filter Performance on the Artemis-1 Mission

The Artemis Program is NASA’s campaign to explore the Moon and beyond. Artemis-1, the uncrewed exoLEO test flight of the Orion spacecraft, was completed in 2022. There were four navigation Extended Kalman Filters (EKFs) that are part of the Orion navigation system. The Atmospheric Extended Kalman Filter (ATMEKF) estimates the vehicle position, velocity, and attitude (referred to as the vehicle state) during the ascent and entry phases of flight. Once Orion is outside of Earths atmosphere, the Earth Orbit Extended Kalman Filter (EOEKF) and CisLunar Extended Kalman Filter (CLEKF) estimate the translational states, depending on the phase of flight, while the Attitude Extended Kalman Filter (ATTEKF) estimates the rotational state of the vehicle. The Kalman filters propagate the vehicle state forward in time using a combination of dynamics models and the output data from the Inertial Measurement Unit (IMU). The filters update the vehicle states and associated uncertainties, in the form of the covariance matrix, using pseudorange measurements from GPS (in ATMEKF/EOEKF), optical navigation measurements of the Earth or Moon (in CLEKF), and star tracker measurements (in ATTEKF). Simultaneously, the Kalman filters estimate error sources in the sensors, which are included in the state vectors as Exponentially Correlated Random Variables (ECRVs). This paper will summarize the performance of these filters during the Artemis-1 mission.

Artemis-1↗
DOE OSTI2019

Random matrix approach to three-dimensional QCD with a Chern-Simons term

We propose a random matrix theory for QCD in three dimensions with a Chern-Simons term at level k which spontaneously breaks the flavor symmetry according to U(2Nf) → U(Nf+k)×U(Nf-k). This random matrix model is obtained by adding a complex part to the action for the k = 0 random matrix model. We derive the pattern of spontaneous symmetry breaking from the analytical solution of the model. Additionally, we obtain explicit analytical results for the spectral density and the spectral correlation functions for the Dirac operator at finite matrix dimension, that become complex. In the microscopic domain where the matrix size tends to infinity, they are expected to be universal, and give an exact analytical prediction to the spectral properties of the Dirac operator in the presence of a Chern-Simons term. Here, we calculate the microscopic spectral density. It shows exponentially large (complex) oscillations which cancel the phase of the k = 0 theory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

On the oscillator realization of conformal U(2, 2) quantum particles and their particle-hole coherent states

We revise the unireps. of U(2, 2) describing conformal particles with continuous mass spectrum from a many-body perspective, which shows massive conformal particles as compounds of two correlated massless particles. The statistics of the compound (boson/fermion) depends on the helicity h of the massless components (integer/half-integer). Coherent states (CS) of particle-hole pairs (“excitons”) are also explicitly constructed as the exponential action of exciton (non-canonical) creation operators on the ground state of unpaired particles. These CS are labeled by points Z (2×2 complex matrices) on the Cartan-Bergman domain D₄=U(2,2)/U(2)², and constitute a generalized (matrix) version of Perelomov U(1, 1) coherent states labeled by points z on the unit disk D₁=U(1,1)/U(1)². First, we follow a geometric approach to the construction of CS, orthonormal basis, U(2, 2) generators and their matrix elements and symbols in the reproducing kernel Hilbert space H{sub λ}(D₄) of analytic square-integrable holomorphic functions on D₄, which carries a unitary irreducible representation of U(2, 2) with index λϵN (the conformal or scale dimension). Then we introduce a many-body representation of the previous construction through an oscillator realization of the U(2, 2) Lie algebra generators in terms of eight boson operators with constraints. This particle picture allows us for a physical interpretation of our abstract mathematical construction in the many-body jargon. In particular, the index λ is related to the number 2(λ – 2) of unpaired quanta and to the helicity h = (λ – 2)/2 of each massless particle forming the massive compound.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗