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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Quantum Perturbation Theory Using Tensor Cores and a Deep Neural Network

In this work, time-independent quantum response calculations are performed using Tensor cores. This is achieved by mapping density matrix perturbation theory onto the computational structure of a deep neural network. The main computational cost of each deep layer is dominated by tensor contractions, i.e., dense matrix–matrix multiplications, in mixed-precision arithmetics, which achieves close to peak performance. Quantum response calculations are demonstrated and analyzed using self-consistent charge density-functional tight-binding theory as well as coupled-perturbed Hartree–Fock theory. For linear response calculations, a novel parameter-free convergence criterion is presented that is well-suited for numerically noisy low-precision floating point operations and we demonstrate a peak performance of almost 200 Tflops using the Tensor cores of two Nvidia A100 GPUs.

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

Gauge-invariant perturbation expansion in powers of electric charge for the density-of-states of a network model for charged-particle motion in a uniform background magnetic flux density

An explicitly gauge-invariant expansion in powers of e/$\hbar$ times the magnetic flux density is formally obtained for the density of states [as characterized by the trace of the resolvent $\hat{G}$ = (ω-$\hat{ℎ}$)-1] of a charged particle moving on a Hermitian quantum network that is embedded in a Euclidean background that supports a uniform magnetic flux density. The explicit expressions, given here up to third order in the flux density, are also valid for the “local trace” (the trace of $\hat{P}_i\hat{G}$ , where $\hat{P}_i$ is the projector on a network node) and do not appear to have been previously given.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Random Phase Approximation Correlation Energy Using Real-Space Density Functional Perturbation Theory

We present a real-space method for computing the random phase approximation (RPA) correlation energy within Kohn–Sham density functional theory, leveraging the low-rank nature of the frequency-dependent density response operator. In particular, we employ a cubic-scaling formalism based on density functional perturbation theory that circumvents the calculation of the response function matrix, instead relying on the ability to compute its product with a vector through the solution of the associated Sternheimer linear systems. We develop a large-scale parallel implementation of this formalism using the subspace iteration method in conjunction with the spectral quadrature method while employing the Kronecker product-based method for the application of the Coulomb operator and the conjugate orthogonal conjugate gradient method for the solution of the linear systems. We demonstrate convergence with respect to key parameters and verify the method’s accuracy by comparing with plane-wave results. We show that the framework achieves good strong scaling to many thousands of processors, reducing the time to solution for a lithium hydride system with 128 electrons to around 150 s on 4608 processors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Stress Tensor flows, birefringence in non-linear electrodynamics and supersymmetry

We identify the unique stress tensor deformation which preserves zero-birefringence conditions in non-linear electrodynamics, which is a 4d 4 d version of the T\overline{T} T T ¯ operator. We study the flows driven by this operator in the three Lagrangian theories without birefringence - Born-Infeld, Plebanski, and reverse Born-Infeld - all of which admit ModMax-like generalizations using a root- T\overline{T} T T ¯ -like flow that we analyse in our paper. We demonstrate one way of making this root- T\overline{T} T T ¯ -like flow manifestly supersymmetric by writing the deforming operator in \mathcal{N} = 1 𝒩 = 1 superspace and exhibit two examples of superspace flows. We present scalar analogues in d = 2 d = 2 with similar properties as these theories of electrodynamics in d = 4 d = 4 . Surprisingly, the Plebanski-type theories are fixed points of the classical T\overline{T} T T ¯ -like flows, while the Born-Infeld-type examples satisfy new flow equations driven by relevant operators constructed from the stress tensor. Finally, we prove that any theory obtained from a classical stress-tensor-squared deformation of a conformal field theory gives rise to a related “subtracted” theory for which the stress-tensor-squared operator is a constant.

Physics↗
NASA NTRS1994

Analysis and control of hourglass instabilities in underintegrated linear and nonlinear elasticity

Methods are described to identify and correct a bad finite element approximation of the governing operator obtained when under-integration is used in numerical code for several model problems: the Poisson problem, the linear elasticity problem, and for problems in the nonlinear theory of elasticity. For each of these problems, the reason for the occurrence of instabilities is given, a way to control or eliminate them is presented, and theorems of existence, uniqueness, and convergence for the given methods are established. Finally, numerical results are included which illustrate the theory.

Jacquotte, Olivier P.↗
NASA NTRS1994

On Dirac equations for linear magnetoacoustic waves propagating in an isothermal atmosphere

A new analytical approach to study linear magnetoacoustic waves propagating in an isothermal, stratified, and uniformly magnetized atmosphere is presented. The approach is based on Dirac equations, and the theory of Sturm-Liouville operators is used to investigate spectral properties of the obtained Dirac Hamiltonians. Two cases are considered: (1) the background magnetic field is vertical, and the waves are separated into purely magnetic (transverse) and purely acoustic (longitudinal) modes; and (2) the field is tilted with respect to the vertical direction and the magnetic and acoustic modes become coupled giving magnetoacoustic waves. For the first case, the Dirac Hamiltonian possesses either a discrete spectrum, which corresponds to standing magnetic waves, or a continuous spectrum, which can be clearly identified with freely propagating acoustic waves. For the second case, the quantum mechanical perturbation calculus is used to study coupling and energy exchange between the magnetic and acoustic components of magnetoacoustic waves. It is shown that this coupling may efficiently prevent trapping of magnetoacoustic waves instellar atmospheres.

Alicki, R.↗
NASA NTRS1974

Analysis of the feedback system in a nonintrusive dynamic flowmeter for measuring Pogo oscillations

Equations were developed which describe the closed loop feedback system operation of a proposed ultrasonic, dynamic, nonintrusive flowmeter whose design is based on a constant phase, voltage controlled frequency feedback concept. These equations are based on linear feedback system theory. The time constant of a low pass filter is taken into account. The equations show that the larger the open loop gain, the smaller the error due to fluctuations in the speed of sound and the smaller the effective time constant.

Chapin, W. G.↗
NASA NTRS1985

A Factorization Approach to the Linear Regulator Quadratic Cost Problem

A factorization approach to the linear regulator quadratic cost problem is developed. This approach makes some new connections between optimal control, factorization, Riccati equations and certain Wiener-Hopf operator equations. Applications of the theory to systems describable by evolution equations in Hilbert space and differential delay equations in Euclidean space are presented.

Milman, M. H.↗
DOE OSTI2021

Second Linear Response Theory and the Analytic Calculation of Excited-State Properties

We present a method based on second linear response time-dependent density func- tional theory (TDDFT) to calculate permanent and transition multipoles of excited states, which are required to compute excited-state absorption/emission spectra, multi- photon optical processes, among others. In previous work, we examined computations based on second linear response theory in which linear response TDDFT was employed twice. In contrast, the present methodology only requires information from a single linear response calculation to compute the excited-state properties. These are eval- uated analytically through various algebraic operations involving electron repulsion integrals and excitation vectors. The present derivation focuses on full many-body wave functions instead of single orbitals, as in our previous approach. Here, we test the proposed method by applying it to several diatomic and triatomic molecules. This shows that the computed excited-state dipoles are consistent with respect to reference equation-of-motion coupled cluster calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Solvable time-like cosets and holography beyond AdS

We build a novel time-like coset sigma-model describing type-II superstring theory in a charged rotating black-brane background that interpolates between a local AdS 3 in the IR and a linear-dilaton geometry in the UV. This allows one to peform a systematic study of holography in non-AdS backgrounds which are smoothly connected to AdS 3 . We construct massless closed string states vertex operators in the NS-NS sector, calculate the corresponding two-point correlation functions, and discuss holographic interpretation of our results from 4+1 dimensional boundary field theory point of view. Compactifying the theory on T 4 , we show that the spectrum of a single long string with unit winding agrees with the spectrum of a CFT 2 deformed by TT¯. We also calculate correlation functions of operators of the dual 1+1 dimensional non-conformal boundary field theory using worldsheet techniques.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1975

An application of modern control theory to jet propulsion systems

The control of an airbreathing turbojet engine by an onboard digital computer is studied. The approach taken is to model the turbojet engine as a linear, multivariable system whose parameters vary with engine operating environment. From this model adaptive closed-loop or feedback control laws are designed and applied to the acceleration of the turbojet engine.

Merrill, W. C.↗
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↗
NASA NTRS2010

Project Management Using Modern Guidance, Navigation and Control Theory

The idea of control theory and its application to project management is not new, however literature on the topic and real-world applications is not as readily available and comprehensive in how all the principals of Guidance, Navigation and Control (GN&C) apply. This paper will address how the fundamental principals of modern GN&C Theory have been applied to NASA's Constellation Space Suit project and the results in the ability to manage the project within cost, schedule and budget. A s with physical systems, projects can be modeled and managed with the same guiding principles of GN&C as if it were a complex vehicle, system or software with time-varying processes, at times non-linear responses, multiple data inputs of varying accuracy and a range of operating points. With such systems the classic approach could be applied to small and well-defined projects; however with larger, multi-year projects involving multiple organizational structures, external influences and a multitude of diverse resources, then modern control theory is required to model and control the project. The fundamental principals of G N&C stated that a system is comprised of these basic core concepts: State, Behavior, Control system, Navigation system, Guidance and Planning Logic, Feedback systems. The state of a system is a definition of the aspects of the dynamics of the system that can change, such as position, velocity, acceleration, coordinate-based attitude, temperature, etc. The behavior of the system is more of what changes are possible rather than what can change, which is captured in the state of the system. The behavior of a system is captured in the system modeling and if properly done, will aid in accurate system performance prediction in the future. The Control system understands the state and behavior of the system and feedback systems to adjust the control inputs into the system. The Navigation system takes the multiple data inputs and based upon a priori knowledge of the input, will develop a statistical-based weighting of the input to determine where the system currently is located. Guidance and Planning logic of the system with the understanding of where it is (provided by the navigation system) will in turn determine where it needs to be and how to get there. Lastly, the system Feedback system is the right arm of the control system to allow it to affect change in the overall system and therefore it is critical to not only correctly identify the system feedback inputs but also the system response to the feedback inputs. And with any systems project it is critical that the objective of the system be clearly defined for not only planning but to be used to measure performance and to aid in the guidance of the system or project.

Hill, Terry↗
NASA NTRS1985

On the factorization of block-tridiagonals without storage constraints

In many programs solving difference equations, problem size is restricted by the number of available memory cells. A strategy has been developed to permit trade-offs between the number of floating point operations required and storage requirements for the solution of certain problems such as block tridiagonal systems of equations. This is done by recomputing some intermediate results instead of storing them. Reducing the storage to the square root of the current requirement will roughly double the number of computations. In theory, if m is the order of each sub-matrix in the block tridiagonal matrix, one can solve any linear system with only 5 sq m + 1 temporary storage cells. This method lends itself to efficient use on computers with parallel processing or vector processing architectures. On these computers the larger number of floating point operations is more than offset by the decrease in I/O and the increased percentage of vector operations made possible by this algorithm.

Merriam, M. L.↗
DOE OSTI2021

Comments on the quantum field theory of the Coulomb gas formalism

The holomorphic Coulomb gas formalism, as developed by Feigin-Fuchs, Dotsenko-Fateev and Felder, is a set of rules for computing minimal model observables using free field techniques. We attempt to derive and clarify these rules using standard techniques of quantum field theory. We begin with a careful examination of the timelike linear dilaton. Although the background charge of the model breaks the scalar field’s continuous shift symmetry, the exponential of the action remains invariant under a discrete shift because the background charge is imaginary. Gauging this symmetry makes the dilaton compact and introduces winding modes into the spectrum. One of these winding operators corresponds to the anti-holomorphic completion of the BRST current first introduced by Felder, and the full left/right cohomology of this BRST charge isolates the irreducible representations of the Virasoro algebra within the degenerate Fock space of the linear dilaton. The “supertrace” in the BRST complex reproduces the minimal model partition function and exhibits delicate cancellations between states with both momentum and winding. The model at the radius $R=\sqrt{pp^{\prime }}$ has two marginal operators corresponding to the Dotsenko-Fateev “screening charges”. Deforming by them, we obtain a model that might be called a “BRST quotiented compact timelike Liouville theory”. The Hamiltonian of the zero-mode quantum mechanics of this model is not Hermitian, but it is PT -symmetric and exactly solvable. Its eigenfunctions have support on an infinite number of plane waves, suggesting an infinite reduction in the number of independent states in the full quantum field theory. Applying conformal perturbation theory to the exponential interactions reproduces the Coulomb gas calculations of minimal model correlation functions. In contrast to spacelike Liouville, these “resonance correlators” are finite because the zero mode is compact. We comment on subtleties regarding the reflection operator identification, as well as naive violations of truncation in correlators with multiple reflection operators inserted. This work is part of an attempt to understand the relationship between the JT model of two dimen- sional gravity and the worldsheet description of the (2 , p ) minimal string as suggested by Seiberg and Stanford.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Effective dissipation rate in a Liouvillian-graph picture of high-temperature quantum hydrodynamics

At high temperature, generic strongly interacting spin systems are expected to display hydrodynamics: local transport of conserved quantities, governed by classical partial differential equations like the diffusion equation. I argue that the emergence of this dissipative long-wavelength dynamics from the system's unitary microscopic dynamics is controlled by the structure of the Liouvillian graph of the system's Hamiltonian, that is, the graph induced on Pauli strings by commutation with that Hamiltonian. The Liouvillian graph decomposes naturally into subgraphs of Pauli strings of constant diameter, and the coherent dynamics of these subgraphs determines the rate at which operator weight spreads to long operators. In conclusion, this argument provides a quantitative theory of the emergence of a dissipative effective dynamics from unitary microscopic dynamics; it also leads to an effective model with Hilbert space dimension linear in system size and exponential in the UV cutoff for diffusion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Scale and conformal invariance on (A)dS spacetimes

We examine the question of scale versus conformal invariance on maximally symmetric curved backgrounds and study general two-derivative conformally invariant free theories of vectors and tensors. For spacetime dimension D > 4 , these conformal theories can be diagonalized into standard massive fields in which unbroken conformal symmetry nontrivially mixes components of different spins. In D = 4 , the tensor case becomes a conformal theory mixing a partially massless spin-2 field with a massless spin-1 field. For massless linearized gravity in D = 4 , we confirm through direct calculation that correlation functions of gauge-invariant operators take the conformally invariant form, despite the absence of standard conformal symmetry at the level of the action. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2021

Universal Compiling and (No-)Free-Lunch Theorems for Continuous-Variable Quantum Learning

Quantum compiling, where a parameterized quantum circuit is trained to learn a target unitary, is an important primitive for quantum computing that can be used as a subroutine to obtain optimal circuits or as a tomographic tool to study the dynamics of an experimental system. While much attention has been paid to quantum compiling on discrete-variable hardware, less has been paid to compiling in the continuous-variable paradigm. Here we motivate several, closely related, short-depth continuous-variable algorithms for quantum compilation. We analyze the trainability of our proposed cost functions and numerically demonstrate our algorithms by learning arbitrary Gaussian operations and Kerr nonlinearities. We further make connections between this framework and quantum learning theory in the continuous-variable setting by deriving no-free-lunch theorems. These generalization bounds demonstrate a linear resource reduction for learning Gaussian unitaries using entangled coherent-Fock states and an exponential resource reduction for learning arbitrary unitaries using two-mode-squeezed states.

97 MATHEMATICS AND COMPUTING↗