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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Giant enhancement of nanoscale thermal radiation based on hyperbolic graphene plasmons

Excitation of surface plasmons enables super-Planckian thermal radiation far beyond the blackbody limit. By patterning a single layer of graphene sheet into ribbons, the closed circular dispersion of graphene plasmons is opened to become hyperbolic, leading to broadband singularities of density of states. Extremely high- k evanescent waves can now couple with hyperbolic graphene plasmons. Consequently, a giant enhancement of the near-field radiative heat flux, by more than one order of magnitude, is demonstrated here using rigorous numerical simulations. The findings may open promising pathways for highly efficient thermal management, energy harvesting, and sub-wavelength thermal imaging.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Distribution theory for Schrödinger’s integral equation

Much of the literature on point interactions in quantum mechanics has focused on the differential form of Schrödinger’s equation. This paper, in contrast, investigates the integral form of Schrödinger’s equation. While both forms are known to be equivalent for smooth potentials, this is not true for distributional potentials. Here, we assume that the potential is given by a distribution defined on the space of discontinuous test functions. First, by using Schrödinger’s integral equation, we confirm a seminal result by Kurasov, which was originally obtained in the context of Schrödinger’s differential equation. This hints at a possible deeper connection between both forms of the equation. We also sketch a generalisation of Kurasov’s [J. Math. Anal. Appl. 201(1), 297–323 (1996)] result to hypersurfaces. Second, we derive a new closed-form solution to Schrödinger’s integral equation with a delta prime potential. This potential has attracted considerable attention, including some controversy. Interestingly, the derived propagator satisfies boundary conditions that were previously derived using Schrödinger’s differential equation. Third, we derive boundary conditions for “super-singular” potentials given by higher-order derivatives of the delta potential. These boundary conditions cannot be incorporated into the normal framework of self-adjoint extensions. We show that the boundary conditions depend on the energy of the solution and that probability is conserved. This paper thereby confirms several seminal results and derives some new ones. In sum, it shows that Schrödinger’s integral equation is a viable tool for studying singular interactions in quantum mechanics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Efficient magnetic fields for supporting toroidal plasmas

The magnetic field that supports tokamak and stellarator plasmas must be produced by coils well separated from the plasma. However, the larger the separation, the more difficult it is to produce a given magnetic field in the plasma region, so plasma configurations should be chosen that can be supported as efficiently as possible by distant coils. The efficiency of an externally generated magnetic field is a measure of the field's shaping component magnitude at the plasma compared to the magnitude near the coils; the efficiency of a plasma equilibrium can be measured using the efficiency of the required external shaping field. Counterintuitively, plasma shapes with low curvature and spectral width may have low efficiency, whereas plasma shapes with sharp edges may have high efficiency. Two precise measures of magnetic field efficiency, which correctly identify such differences in difficulty, will be examined. These measures, which can be expressed as matrices, relate the externally produced normal magnetic field on the plasma surface to the either the normal field or current on a distant control surface. A singular value decomposition (SVD) of either matrix yields an efficiency ordered basis for the magnetic field distributions. Calculations are carried out for both tokamak and stellarator cases. For axisymmetric surfaces with circular cross-section, the SVD is calculated analytically, and the range of poloidal and toroidal mode numbers that can be controlled to a given desired level is determined. If formulated properly, these efficiency measures are independent of the coordinates used to parameterize the surfaces.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

The radiative transport equation in flatland with separation of variables

The linear Boltzmann equation can be solved with separation of variables in one dimension, i.e., in three-dimensional space with planar symmetry. In this method, solutions are given by superpositions of eigenmodes which are sometimes called singular eigenfunctions. In this paper, we explore the singular-eigenfunction approach in flatland or two-dimensional space.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Ideal magnetohydrodynamic theory for localized interchange modes in toroidal anisotropic plasmas

Ideal magnetohydrodynamic theory for localized interchange modes is developed for toroidal plasmas with anisotropic pressure. The work extends the existing theories of Johnson and Hastie [Phys. Fluids 31, 1609 (1988)], etc., to the low n mode case, where n is the toroidal mode number. Also, the plasma compressibility is included, so that the coupling of the parallel motion to perpendicular one, i.e., the so-called apparent mass effect, is investigated in the anisotropic pressure case. Lastly, the singular layer equation is obtained, and the generalized Mercier's criterion is derived.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

On regularizing the MCTDH equations of motion

The Multiconfiguration Time-Dependent Hartree (MCTDH) approach leads to equations of motion (EOM) which become singular when there are unoccupied so-called single-particle functions (SPFs). Starting from a Hartree product, all SPFs, except the first one, are unoccupied initially. To solve the MCTDH-EOMs numerically, one therefore has to remove the singularity by a regularization procedure. Usually the inverse of a density matrix is regularized. Here we argue and show that regularizing the coefficient tensor, which in turn regularizes the density matrix as well, leads to an improved performance of the EOMs. The initially unoccupied SPFs are rotated faster into their “correct direction” in Hilbert space and the final results are less sensitive to the choice of the value of the regularization parameter. For a particular example (a spin-boson system studied with a transformed Hamiltonian), we could even show that only with the new regularization scheme could one obtain correct results. Lastly, in Appendix A, a new integration scheme for the MCTDH-EOMs developed by Lubich and co-workers is discussed. It is argued that this scheme does not solve the problem of the unoccupied natural orbitals because this scheme ignores the latter and does not propagate them at all.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Asymptotic solutions and convergence studies of the resistive inner region equations

A recent publication presents a detailed prescription for constructing global eigenfunctions and complex growth rates for resistive instabilities in axisymmetric toroidal systems, using the method of matched asymptotic expansions. At each singular surface in the plasma, the small-x asymptotic solutions of the ideal MHD outer-region equations are matched to the large-x asymptotic solutions of the resistive inner-region equations, with x being the distance from the singular surface. The success of this method depends upon accurate asymptotic solutions of the resistive inner region equations. Extensive studies have shown that there are not only regimes of excellent agreement with straight-through methods, without asymptotic matching, but also regimes of strong disagreement. As such, in an effort to find the cause of this discrepancy, we present here a different method of constructing asymptotic solutions of the inner region equations and we study the convergence properties of the new and old solutions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Integrability, normal forms, and magnetic axis coordinates

Integrable or near-integrable magnetic fields are prominent in the design of plasma confinement devices. Such a field is characterized by the existence of a singular foliation entirely consisting of invariant submanifolds. A compact regular leaf (a flux surface) of this foliation must be diffeomorphic to the two-torus. In a neighborhood of a flux surface, it is known that the magnetic field admits several exact smooth normal forms in which the field lines are straight. However, these normal forms break down near singular leaves, including elliptic and hyperbolic magnetic axes. In this work, the existence of exact smooth normal forms for integrable magnetic fields near elliptic and hyperbolic magnetic axes is established. In the elliptic case, smooth near-axis Hamada and Boozer coordinates are defined and constructed. Ultimately, these results establish previously conjectured smoothness properties for smooth solutions of the magnetohydrodynamic equilibrium equations. The key arguments are a consequence of a geometric reframing of integrability and magnetic fields: they are presymplectic systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Time evolution of ML-MCTDH wavefunctions. II. Application of the projector splitting integrator

The multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) approach can suffer from numerical instabilities whenever the wavefunction is weakly entangled. These instabilities arise from singularities in the equations of motion (EOMs) and necessitate the use of regularization of the EOMs. The Projector Splitting Integrator (PSI) has previously been presented as an approach for evolving ML-MCTDH wavefunctions that is free of singularities. Here, we will discuss the implementation of the multi-layer PSI with a particular focus on how the steps required relate to those required to implement standard ML-MCTDH. We demonstrate the efficiency and stability of the PSI for large ML-MCTDH wavefunctions containing up to hundreds of thousands of nodes by considering a series of spin-boson models with up to 106 bath modes and find that for these problems, the PSI requires roughly 3–4 orders of magnitude fewer Hamiltonian evaluations and 2–3 orders of magnitude fewer Hamiltonian applications than standard ML-MCTDH and 2–3/1–2 orders of magnitude fewer evaluations/applications than approaches that use improved regularization schemes. Finally, we consider a series of significantly more challenging multi-spin-boson models that require much larger numbers of single-particle functions with wavefunctions containing up to ~1.3×10 9 parameters to obtain accurate dynamics.

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

Evaluation of the Abel inversion integral in O-mode plasma reflectometry using Chebyshev–Gauss quadrature

The Abel transform is often used to reconstruct plasma density profiles from O-Mode polarized reflectometry diagnostics. However, standard numerical trapezoidal evaluation of the Abel inversion integral can be computationally expensive for a large number of evaluation points, and an endpoint singularity exists on the upper-bound of the integral, which can result in an increased error. In this work, Chebyshev–Gauss quadrature is introduced as a new method to evaluate the Abel inversion integral for the problem of O-Mode plasma reflectometry. Here, the method does not require numerical evaluation of an integral singularity and is shown to have similar accuracy compared to existing methods while being computationally efficient.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Semantic embedding for quantum algorithms

The study of classical algorithms is supported by an immense understructure, founded in logic, type, and category theory, that allows an algorithmist to reason about the sequential manipulation of data irrespective of a computation’s realizing dynamics. As quantum computing matures, a similar need has developed for an assurance of the correctness of high-level quantum algorithmic reasoning. Parallel to this need, many quantum algorithms have been unified and improved using quantum signal processing (QSP) and quantum singular value transformation (QSVT), which characterize the ability, by alternating circuit ansätze, to transform the singular values of sub-blocks of unitary matrices by polynomial functions. However, while the algebraic manipulation of polynomials is simple (e.g., compositions and products), the QSP/QSVT circuits realizing analogous manipulations of their embedded polynomials are non-obvious. This work constructs and characterizes the runtime and expressivity of QSP/QSVT protocols where circuit manipulation maps naturally to the algebraic manipulation of functional transforms (termed semantic embedding). In this way, QSP/QSVT can be treated and combined modularly, purely in terms of the functional transforms they embed, with key guarantees on the computability and modularity of the realizing circuits. We also identify existing quantum algorithms whose use of semantic embedding is implicit, spanning from distributed search to proofs of soundness in quantum cryptography. The methods used, based in category theory, establish a theory of semantically embeddable quantum algorithms, and provide a new role for QSP/QSVT in reducing sophisticated algorithmic problems to simpler algebraic ones.

Physics↗
DOE OSTI2024

Mixed-mode oscillations in a three-timescale coupled Morris–Lecar system

Mixed-mode oscillations (MMOs) are complex oscillatory behaviors of multiple-timescale dynamical systems in which there is an alternation of large-amplitude and small-amplitude oscillations. It is well known that MMOs in two-timescale systems can arise either from a canard mechanism associated with folded node singularities or a delayed Andronov–Hopf bifurcation (DHB) of the fast subsystem. While MMOs in two-timescale systems have been extensively studied, less is known regarding MMOs emerging in three-timescale systems. In this work, we examine the mechanisms of MMOs in coupled Morris–Lecar neurons with three distinct timescales. We investigate two kinds of MMOs occurring in the presence of a singularity known as canard-delayed-Hopf (CDH) and in cases where CDH is absent. In both cases, we examine how features and mechanisms of MMOs vary with respect to variations in timescales. Our analysis reveals that MMOs supported by CDH demonstrate significantly stronger robustness than those in its absence. Moreover, we show that the mere presence of CDH does not guarantee the occurrence of MMOs. This work yields important insights into conditions under which the two separate mechanisms in two-timescale context, canard and DHB, can interact in a three-timescale setting and produce more robust MMOs, particularly against timescale variations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Extended dynamic mode decomposition for model reduction in fluid dynamics simulations

High computational cost and storage/memory requirements of fluid dynamics simulations constrain their usefulness as a predictive tool. Reduced-order models (ROMs) provide a viable solution to this challenge by extracting the key underlying dynamics of a complex system directly from data. We investigate the efficacy and robustness of an extended dynamic mode decomposition (xDMD) algorithm in constructing ROMs of three-dimensional cardiovascular computations. Focusing on the ROMs' accuracy in representation and interpolation, we relate these metrics to the truncation rank of singular value decomposition, which underpins xDMD and other approaches to ROM construction. Our key innovation is to relate the truncation rank to the singular values of the original flow problem. This result establishes a priori guidelines for the xDMD deployment and its likely success as a means of data compression and reconstruction of the system's dynamics from dominant spatiotemporal structures present in the data.

Mechanics↗
DOE OSTI2016

Growth rate of crystalline ice and the diffusivity of supercooled water from 126 to 262 K

Understanding deeply supercooled water is key to unraveling many of water’s anomalous properties. However, this has proven difficult due to rapid and uncontrolled crystallization. Using a pulsed laser heating technique, we measure the growth rate of crystalline ice, G(T), for 180 K < T < 262 K, i.e. deep within water’s “no man’s land.” The self-diffusion of supercooled liquid water, D(T), is obtained from G(T) using the Wilson-Frenkel model of crystal growth. For T > 237 K, G(T) and D(T) have super-Arrhenius (“fragile”) temperature dependences, but both crossover to Arrhenius (“strong”) behavior with a large activation energy in “no man’s land.” The fact that G(T) and D(T) are smoothly varying rules out the hypothesis that liquid water’s properties have a singularity at or near 228 K. However the results are consistent with a previous prediction for D(T) that assumed no thermodynamic transitions occur in “no man’s land.

Xu, Yuntao↗
DOE OSTI2021

Moiréless correlations in ABCA graphene

Atomically thin van der Waals materials stacked with an interlayer twist have proven to be an excellent platform toward achieving gate-tunable correlated phenomena linked to the formation of flat electronic bands. In this work we demonstrate the formation of emergent correlated phases in multilayer rhombohedral graphene––a simple material that also exhibits a flat electronic band edge but without the need of having a moiré superlattice induced by twisted van der Waals layers. We show that two layers of bilayer graphene that are twisted by an arbitrary tiny angle host large (micrometer-scale) regions of uniform rhombohedral four-layer (ABCA) graphene that can be independently studied. Scanning tunneling spectroscopy reveals that ABCA graphene hosts an unprecedentedly sharp van Hove singularity of 3–5-meV half-width. We demonstrate that when this van Hove singularity straddles the Fermi level, a correlated many-body gap emerges with peak-to-peak value of 9.5 meV at charge neutrality. Mean-field theoretical calculations for model with short-ranged interactions indicate that two primary candidates for the appearance of this broken symmetry state are a charge-transfer excitonic insulator and a ferrimagnet. Finally, we show that ABCA graphene hosts surface topological helical edge states at natural interfaces with ABAB graphene which can be turned on and off with gate voltage, implying that small-angle twisted double-bilayer graphene is an ideal programmable topological quantum material.

42 ENGINEERING↗
DOE OSTI2022

Defects in bent-core liquid crystals

The spatial organization of liquid crystals (LCs) is governed by molecular shapes and interactions and reveals itself at the macroscopic scale by anisotropic properties and various textures with an abundance of topological defects. LC defects, representing singular and non-singular distortions of the orientational order, carry signatures of the undistorted ground LC state and bear specific information that helps to identify phases in newly synthesized materials. The review describes defects in materials with bent-core shape of molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Black hole magnetospheres

We investigate the structure of the steady-state force-free magnetosphere around a Kerr black hole in various astrophysical settings. The solution Ψ(r, θ) depends on the distributions of the magnetic field line angular velocity ω(Ψ) and the poloidal electric current I(Ψ). These are obtained self-consistently as eigenfunctions that allow the solution to smoothly cross the two singular surfaces of the problem, the inner light surface inside the ergosphere, and the outer light surface, which is the generalization of the pulsar light cylinder. Magnetic field configurations that cross both singular surfaces (e.g., monopole, paraboloidal) are uniquely determined. Configurations that cross only one light surface (e.g., the artificial case of a rotating black hole embedded in a vertical magnetic field) are degenerate. We show that, similar to pulsars, black hole magnetospheres naturally develop an electric current sheet that potentially plays a very important role in the dissipation of black hole rotational energy and in the emission of high-energy radiation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Interacting tilt and kink instabilities in repelling current channels

We present a numerical study in resistive magnetohydrodynamics (MHD) where the initial equilibrium configuration contains adjacent, oppositely directed, parallel current channels. Since oppositely directed current channels repel, the equilibrium is liable to an ideal magnetohydrodynamic tilt instability. This tilt evolution, previously studied in planar settings, involves two magnetic islands or flux ropes, which on Alfvénic timescales undergo a combined rotation and separation. This in turn leads to the creation of (near) singular current layers, posing severe challenges to numerical approaches. Using our open-source grid-adaptive MPI-AMRVAC software, we revisit the planar evolution case in compressible MHD, as well as its extension to two-and-a-half-dimensional (2.5D) and full three-dimensional (3D) scenarios. As long as the third dimension can be ignored, pure tilt evolutions result that are hardly affected by out of plane magnetic field components. In all 2.5D runs, our simulations do show secondary tearing type disruptions throughout the near singular current sheets in the far nonlinear saturation regime. In full 3D runs, both current channels can be liable to additional ideal kink deformations. We discuss the effects of having both tilt and kink instabilities acting simultaneously in the violent, reconnection-dominated evolution. In 3D, both the tilt and the kink instabilities can be stabilized by tension forces. As a concrete space plasma application, we argue that interacting tilt-kink instabilities in repelling current channels provide a novel route to initiate solar coronal mass ejections, distinctly different from the currently favored pure kink or torus instability routes.

79 ASTRONOMY AND ASTROPHYSICS↗