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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Properties of the new $ \mathcal{N} $ = 1 AdS 4 vacuum of maximal supergravity

The recent comprehensive numerical study of critical points of the scalar potential of four-dimensional N = 8, SO(8) gauged supergravity using Machine Learning software in [1] has led to a discovery of a new N = 1 vacuum with a triality-invariant SO(3) symmetry. Guided by the numerical data for that point, we obtain a consistent SO(3) × Z 2 -invariant truncation of the N = 8 theory to an N = 1 supergravity with three chiral multiplets. Critical points of the truncated scalar potential include both the N = 1 point as well as two new non-supersymmetric and perturbatively unstable points not found by previous searches. Studying the structure of the submanifold of SO(3) × Z 2 -invariant supergravity scalars, we find that it has a simple interpretation as a submanifold of the 14-dimensional Z $3\atop{2}$ -invariant scalar manifold (SU(1, 1)/U(1)) 7 , for which we find a rather remarkable superpotential whose structure matches the single bit error correcting (7, 4) Hamming code. This 14-dimensional scalar manifold contains approximately one quarter of the known critical points. We also show that there exists a smooth supersymmetric domain wall which interpolates between the new N = 1 AdS4 solution and the maximally supersymmetric AdS4 vacuum. Using holography, this result indicates the existence of an N = 1 RG flow from the ABJM SCFT to a new strongly interacting conformal fixed point in the IR.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Gauge-invariance and infrared divergences in the luminosity distance

Measurements of the luminosity distance have played a key role in discovering the late-time cosmic acceleration. However, when accounting for inhomogeneities in the Universe, its interpretation has been plagued with infrared divergences in its theoretical predictions, which are in some cases used to explain the cosmic acceleration without dark energy. The infrared divergences in most calculations are artificially removed by imposing an infrared cut-off scale. We show that a gauge-invariant calculation of the luminosity distance is devoid of such divergences and consistent with the equivalence principle, eliminating the need to impose a cut-off scale. We present proper numerical calculations of the luminosity distance using the gauge-invariant expression and demonstrate that the numerical results with an ad hoc cut-off scale in previous calculations have negligible systematic errors as long as the cut-off scale is larger than the horizon scale. We discuss the origin of infrared divergences and their cancellation in the luminosity distance.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2011

Finding Mutual Exclusion Invariants in Temporal Planning Domains

We present a technique for automatically extracting temporal mutual exclusion invariants from PDDL2.2 planning instances. We first identify a set of invariant candidates by inspecting the domain and then check these candidates against properties that assure invariance. If these properties are violated, we show that it is sometimes possible to refine a candidate by adding additional propositions and turn it into a real invariant. Our technique builds on other approaches to invariant synthesis presented in the literature, but departs from their limited focus on instantaneous discrete actions by addressing temporal and numeric domains. To deal with time, we formulate invariance conditions that account for both the entire structure of the operators (including the conditions, rather than just the effects) and the possible interactions between operators. As a result, we construct a technique that is not only capable of identifying invariants for temporal domains, but is also able to find a broader set of invariants for non-temporal domains than the previous techniques.

Bernardini, Sara↗
NASA NTRS2012

Approaching Moons from Resonance via Invariant Manifolds

In this work, the approach phase from the final resonance of the endgame scenario in a tour design is examined within the context of invariant manifolds. Previous analyses have typically solved this problem either by using numerical techniques or by computing a catalog of suitable trajectories. The invariant manifolds of a selected set of libration orbits and unstable resonant orbits are computed here to serve as guides for desirable approach trajectories. The analysis focuses on designing an approach phase that may be tied into the final resonance in the endgame sequence while also targeting desired conditions at the moon.

endgame↗
DOE OSTI2014

Construction of energy-stable projection-based reduced order models

Our paper aims to unify and extend several approaches for building stable projection-based reduced order models (ROMs) using the energy method and the concept of “energy-stability”. Attention is focused on linear time-invariant (LTI) systems. First, an approach for building energy stable Galerkin ROMs for linear hyperbolic or incompletely parabolic systems of partial differential equations (PDEs) using continuous projection is proposed. The key idea is to apply to the system a transformation induced by the Lyapunov function for the system, and to build the ROM in the transformed variables. The result of this procedure will be a ROM that is energy-stable for any choice of reduced basis. It is shown that, for many PDE systems, the desired transformation is induced by a special inner product, termed the “symmetry inner product”. Next, attention is turned to building energy-stable ROMs via discrete projection. A discrete counterpart of the continuous symmetry inner product, termed the “Lyapunov inner product”, is derived. Moreover, it is shown that the Lyapunov inner product can be computed in a black-box fashion for a stable LTI system ari sing from the discretization of a system of PDEs in space. Projection in this inner product guarantees a ROM that is energy-stable, again for any choice of reduced basis. Connections between the Lyapunov inner product and the inner product induced by the balanced truncation algorithm are made. We also made comparisons between the symmetry inner product and the Lyapunov inner product. Performance of ROMs constructed using these inner products is evaluated on several benchmark test cases.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Three-dimensional superconductors with hybrid higher-order topology

We consider three-dimensional superconductors in class DIII with a fourfold rotation axis and inversion symmetry. It is shown that such systems can exhibit higher-order topology with helical Majorana hinge modes. In the case of even-parity superconductors, we show that higher-order topological superconductors can be obtained by adding a small pairing with the appropriate C 4 symmetry implementation to a topological insulator. We also show that a hybrid case is possible, where Majorana surface cones resulting from nontrivial strong topology coexist with helical hinge modes. Here, we propose a bulk invariant detecting this hybrid scenario, and numerically analyze a tight binding model exhibiting both Majorana cones and hinge modes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Generalized parton distributions from lattice QCD with asymmetric momentum transfer: Unpolarized quarks at nonzero skewness

We extend the formalism of asymmetric frames of reference for generalized parton distributions (GPDs) to the case of nonzero skewness, i.e., including longitudinal momentum transfer. The framework, based on Lorentz-invariant amplitudes and previously developed and numerically implemented for unpolarized, helicity and transversity GPDs at zero skewness, gives efficient access to a broad range of kinematics, making full mapping of GPDs from the lattice realistic. The general-skewness formalism is tested using lattice data with both transverse and longitudinal or only longitudinal momentum transfer, the latter being a special case with a reduced number of independent amplitudes. We extract the amplitudes in coordinate space and express the GPDs 𝐻 and 𝐸 in terms of these amplitudes. This is followed by reconstruction of quasidistributions and their matching to the light cone. We further identify and discuss the principal challenges for nonzero skewness GPDs.

Lattice QCD↗
DOE OSTI2023

Sequential flows by irrelevant operators

We explore whether one can T\overline{T} T T ¯ deform a collection of theories that are already T\overline{T} T T ¯ -deformed. This allows us to define classes of irrelevant deformations that know about subsystems. In some basic cases, we explore the spectrum that results from this procedure and we provide numerical evidence in favor of modular invariance. We also study the flow of the classical Lagrangian for free bosons and free fermions under successive deformations. Some of the models found by sequentially flowing are likely to have interesting holographic interpretations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1972

Power series evaluation of transition and covariance matrices.

Reexamination power series solutions to the matrix covariance differential equation and the transition differential equation. Truncation error bounds are derived which are computationally attractive and which extend previous results. Polynomial approximations are obtained by exploiting the functional equations satisfied by the transition and covariance matrices. The series-functional equation propagation technique represents a fast and accurate alternative to the numerical integration of the time-invariant transition and covariance equations.

Bierman, G. J.↗
NASA NTRS1979

Numerical results for the thermal scattering functions

A recent formulation in radiative transfer defined the thermal scattering functions that characterize radiative transfer from a general plane-parallel finite medium driven solely by an internal distribution of thermal sources. Exiting diffuse intensities are expressed as space convolutions of the thermal scattering functions with any thermal source distribution. A parametric study is presented to obtain the basic structure of these scattering functions. The independent variables of these azimuthally independent functions are the direction cosine and source location, while the parameters are the single-scattering albedo, total optical depth, and the asymmetry factor in the Henyey-Greenstein phase function. The basic functional trends are discussed by using various parametric plots, and selected results are given to allow numerical checks. The computational method is invariant imbedding.

Cogley, A. C.↗
NASA NTRS1985

Dynamic loads analyses of flexible airplanes - New and existing techniques

This paper reviews existing techniques for calculating dynamic loads for flexible airplanes and presents a new technique. The new technique involves the summation-of-forces method of writing dynamic loads equations. Until now this form of the dynamic loads equations has been formulated in the frequency domain. The new technique uses s-plane approximation methods (previously applied only to the equations of motion) to transform the dynamic loads equations from a second-order frequency-domain formulation with frequency-dependent coefficients into a linear-time-invariant state-space formulation. Several numerical examples demonstrate the usefulfness of the new technique and the high quality of the results. In addition, a convergence investigation establishes that the summation-of-forces method converges more quickly (that is, with fewer modes) than does the mode displacement method.

Pototzky, A. S.↗
NASA NTRS1978

ORACLS: A system for linear-quadratic-Gaussian control law design

A modern control theory design package (ORACLS) for constructing controllers and optimal filters for systems modeled by linear time-invariant differential or difference equations is described. Numerical linear-algebra procedures are used to implement the linear-quadratic-Gaussian (LQG) methodology of modern control theory. Algorithms are included for computing eigensystems of real matrices, the relative stability of a matrix, factored forms for nonnegative definite matrices, the solutions and least squares approximations to the solutions of certain linear matrix algebraic equations, the controllability properties of a linear time-invariant system, and the steady state covariance matrix of an open-loop stable system forced by white noise. Subroutines are provided for solving both the continuous and discrete optimal linear regulator problems with noise free measurements and the sampled-data optimal linear regulator problem. For measurement noise, duality theory and the optimal regulator algorithms are used to solve the continuous and discrete Kalman-Bucy filter problems. Subroutines are also included which give control laws causing the output of a system to track the output of a prescribed model.

Armstrong, E. S.↗
DOE OSTI2014

Simulating the universe(s) II: phenomenology of cosmic bubble collisions in full general relativity

Observing the relics of collisions between bubble universes would provide direct evidence for the existence of an eternally inflating Multiverse; the non-observation of such events can also provide important constraints on inflationary physics. Realizing these prospects requires quantitative predictions for observables from the properties of the possible scalar field Lagrangians underlying eternal inflation. Building on previous work, we establish this connection in detail. We perform a fully relativistic numerical study of the phenomenology of bubble collisions in models with a single scalar field, computing the comoving curvature perturbation produced in a wide variety of models. We also construct a set of analytic predictions, allowing us to identify the phenomenologically relevant properties of the scalar field Lagrangian. The agreement between the analytic predictions and numerics in the relevant regions is excellent, and allows us to generalize our results beyond the models we adopt for the numerical studies. Specifically, the signature is completely determined by the spatial profile of the colliding bubble just before the collision, and the de Sitter invariant distance between the bubble centers. The analytic and numerical results support a power-law fit with an index 1< κ ∼< 2. For collisions between identical bubbles, we establish a lower-bound on the observed amplitude of collisions that is set by the present energy density in curvature.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Linearly scaling and almost Hamiltonian dielectric continuum molecular dynamics simulations through fast multipole expansions

Hamiltonian Dielectric Solvent (HADES) is a recent method [S. Bauer et al., J. Chem. Phys. 140, 104103 (2014)] which enables atomistic Hamiltonian molecular dynamics (MD) simulations of peptides and proteins in dielectric solvent continua. Such simulations become rapidly impractical for large proteins, because the computational effort of HADES scales quadratically with the number N of atoms. If one tries to achieve linear scaling by applying a fast multipole method (FMM) to the computation of the HADES electrostatics, the Hamiltonian character (conservation of total energy, linear, and angular momenta) may get lost. Here, we show that the Hamiltonian character of HADES can be almost completely preserved, if the structure-adapted fast multipole method (SAMM) as recently redesigned by Lorenzen et al. [J. Chem. Theory Comput. 10, 3244-3259 (2014)] is suitably extended and is chosen as the FMM module. By this extension, the HADES/SAMM forces become exact gradients of the HADES/SAMM energy. Their translational and rotational invariance then guarantees (within the limits of numerical accuracy) the exact conservation of the linear and angular momenta. Also, the total energy is essentially conserved—up to residual algorithmic noise, which is caused by the periodically repeated SAMM interaction list updates. These updates entail very small temporal discontinuities of the force description, because the employed SAMM approximations represent deliberately balanced compromises between accuracy and efficiency. The energy-gradient corrected version of SAMM can also be applied, of course, to MD simulations of all-atom solvent-solute systems enclosed by periodic boundary conditions. However, as we demonstrate in passing, this choice does not offer any serious advantages.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1988

Primitive numerical simulation of circular Couette flow - Carrousel wind tunnel nonturbulent solutions

The azimuthal-invariant, three-dimensional cylindrical, incompressible Navier-Stokes equations are solved to steady state for a finite-length, physically realistic model. The numerical method relies on an alternating-direction implicit scheme that is formally second-order accurate in space and first-order accurate in time. The equations are linearized and uncoupled by evaluating variable coefficients at the previous time iteration. Wall grid clustering is provided by a Roberts transformation in radial and axial directions. A vorticity-velocity formulation is found to be preferable to a vorticity-streamfunction approach. Subject to no-slip, Dirichlet boundary conditions, except for the inner cylinder rotation velocity (impulsive start-up) and zero-flow initial conditions, nonturbulent solutions are obtained for sub- and supercritical Reynolds numbers of 100 to 400 for a finite geometry where R(outer)/R(inner) = 1.5, H/R(inner) = 0.73, and H/Delta-R = 1.5. An axially-stretched model solution is shown to asymptotically approach the one-dimensional analytic Couette solution at the cylinder midheight. Flowfield change from laminar to Taylor-vortex flow is discussed as a function of Reynolds number. Three-dimensional velocities, vorticity, and streamfunction are presented via two-dimensional graphs and three-dimensional surface and contour plots.

Hasiuk, Jan↗
NASA NTRS1985

Implicit finite-difference methods for the Euler equations

The present paper is concerned with two-dimensional Euler equations and with schemes which are in use of the time of this writing. Most of the development presented carries over directly to three dimensions. The characteristics of the two-dimensional Euler equations in Cartesian coordinates are considered along with generalized curvilinear coordinate transformations, metric relations, invariants of the transformation, flux Jacobian matrices and eigensystems, numerical algorithms, flux split algorithms, implicit and explicit nonlinear control (smoothing), upwind differencing in supersonic regions, unsteady and steady-state computation, the diagonal form of implicit algorithm, metric differencing and invariants, boundary conditions, geometry and mesh generation, and sample solutions.

Pulliam, T. H.↗
DOE OSTI2026

A conservative discontinuous Galerkin algorithm for particle kinetics on smooth manifolds

A novel, conservative discontinuous Galerkin algorithm is presented for particle kinetics on manifolds. The motion of particles on the manifold is represented using both canonical and non-canonical Hamiltonian formulations. Our schemes apply to both formulations, but the canonical formulation results in a particularly efficient scheme that also conserves particle density and energy exactly. The collisionless update is coupled to a Bhatnagar-Gross-Krook (BGK) collision operator that provides a simplified model for relaxation to local thermodynamic equilibrium. An iterative scheme is constructed to ensure collisional invariants (density, momentum and energy) are preserved numerically. Rotation of the manifold is incorporated by modifying the Hamiltonian while ensuring a canonical formulation. Several test problems, including a kinetic version of the classical Sod shock problem, Kelvin-Helmholtz instability on the surfaces of a sphere and a hyperboloid, with and without rotations, are presented. A prospectus for further development of this approach to simulation of kinetic theory in general relativity is presented.

Discontinuous Galerkin↗
DOE OSTI2025

Enzyme-mediated aminoglycoside resistance without target mimicry

Abstract The primary mode of resistance to aminoglycoside antibiotics is through chemical modification catalyzed by aminoglycoside-modifying enzymes. Numerous structural studies of these enzymes have invariably shown that they bind aminoglycosides in the same lowest-energy conformation as the intended target for these antibiotics, the A site of the bacterial ribosome. Presumably, the binding mode mimicry enables these enzymes to compete successfully with the target, thus conferring effective resistance. Here we present the first structural and functional studies of two aminoglycoside-modifying enzymes that do not use target mimicry, AAC(3)-Ia and AAC(3)-XIa. X-ray diffraction studies reveal that these enzymes bind aminoglycoside antibiotics in a conformation where the central 2-deoxystreptamine ring is in boat conformation. The effect of this non-canonical binding mode on the enzymes’ ability to modify antibiotics is assessed in silico and in vitro, and its impact for conferring resistance is assessed in vivo. Overall, the results show that target mimicry, while advantageous, is not an essential strategy for aminoglycoside-modifying enzymes to be effective in conferring resistance.

Chemistry↗