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NASA NTRS1975

Diurnal variations in the thermosphere. I - Theoretical formulation

A nonlinear perturbation theory is formulated for the solution of the multicomponent equations of energy, mass, and momentum conservation in the atmosphere. The theory is three-dimensional and includes the effects of heat conduction and advection, viscosity, ion drag, and diffusion. The theory is described as a superposition of mathematical modes obtained by expanding the physical quantities into vector and spherical harmonics. The coupling between the various modes, both linear and nonlinear, is included. The theory provides a basis for the treatment of the thermosphere and its interaction with the lower atmosphere, where 'mode coupling' is most important. As an example, a comparison is presented between one-dimensional and three-dimensional calculations of the fundamental mode of the diurnal component in the thermosphere. Coupling between the lowest modes is considered to describe the physical conditions of the lower thermosphere where inertia and Coriolis forces become dominant over the ion-drag and viscous forces. In this region, the latitude structures of the temperature, wind field, and diffusively controlled oxygen are shown to change significantly.

Harris, I.↗

NASA NTRS1967

Nonlinear oscillations of a fluttering plate. II.

Quasi-steady aerodynamic and von Karman large deflection plate theory equations of nonlinear oscillations of fluttering plate for single mode subsonic and sonic or coupled mode supersonic oscillations

VON KARMAN EQUATION↗

DOE OSTI2022

Theory of magnon polaritons in quantum Ising materials

Here, we present a theory of magnon-polaritons in quantum Ising materials, and develop a formalism describing the coupling between light and matter as an Ising system is tuned through its quantum critical point. The theory is applied to Ising materials having multilevel single-site Hamiltonians, in which multiple magnon modes are present, such as the insulating Ising magnet LiHoF 4 . We find that the magnon-photon coupling strengths may be tuned by the applied transverse field, with the coupling between the soft mode present in the quantum Ising material and a photonic resonator mode diverging at the quantum critical point of the material. A fixed system of spins will not exhibit the diamagnetic response expected when light is coupled to mobile spins or atoms. Without the diamagnetic response, one expects a divergent magnon-photon coupling strength to lead to a superradiant quantum phase transition. However, this neglects the effects of damping and decoherence present in any real system. We show that damping and decoherence may block the superradiant quantum phase transition, and lead to weak coupling between the soft magnon mode and the resonator mode. The results of the theory are applied to experimental data on the model system LiHoF 4 in a microwave resonator.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2022

Simulation of Plasma Emission in Magnetized Plasmas

The recent Parker Solar Probe observations of type III radio bursts show that the effects of the finite background magnetic field can be an important factor in the interpretation of data. In the present paper, the effects of the background magnetic field on the plasma-emission process, which is believed to be the main emission mechanism for solar coronal and interplanetary type III radio bursts, are investigated by means of the particle-in-cell simulation method. The effects of the ambient magnetic field are systematically surveyed by varying the ratio of plasma frequency to electron gyrofrequency. The present study shows that for a sufficiently strong ambient magnetic field, the wave–particle interaction processes lead to a highly field-aligned longitudinal mode excitation and anisotropic electron velocity distribution function, accompanied by a significantly enhanced plasma emission at the second-harmonic plasma frequency. For such a case, the polarization of the harmonic emission is almost entirely in the sense of extraordinary mode. On the other hand, for moderate strengths of the ambient magnetic field, the interpretation of the simulation result is less clear. The underlying nonlinear-mode coupling processes indicate that to properly understand and interpret the simulation results requires sophisticated analyses involving interactions among magnetized plasma normal modes, including the two transverse modes of the magneto-active plasma, namely, the extraordinary and ordinary modes, as well as electron-cyclotron-whistler, plasma oscillation, and upper-hybrid modes. At present, a nonlinear theory suitable for quantitatively analyzing such complex-mode coupling processes in magnetized plasmas is incomplete, which calls for further theoretical research, but the present simulation results could provide a guide for future theoretical efforts.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1961

Aerodynamic Effects of Some Configuration Variables on the Aeroelastic Characteristics of Lifting Surfaces at Mach Numbers from 0.7 to 6.86

Results of flutter tests on some simple all-movable-control-type models are given. One set of models, which had a square planform with double-wedge airfoils with four different values of leading- and trailing-edge radii from 0 to 6 percent chord and airfoil thicknesses of 9, 11, 14, and 20 percent chord, was tested at Mach numbers from 0.7 to 6.86. The bending-to-torsion frequency ratio was about 0.33. The other set of models, which had a tapered planform with single-wedge and double-wedge airfoils with thicknesses of 3, 6, 9, and 12 percent chord, was tested at Mach numbers from 0.7 to 3.98 and a frequency ratio of about 0.42. The tests indicate that, in general, increasing thickness has a destabilizing effect at the higher Mach numbers but is stabilizing at subsonic and transonic Mach numbers. Double-wedge airfoils are more prone to flutter than single-wedge airfoils at comparable stiffness levels. Increasing airfoil bluntness has a stabilizing effect on the flutter boundary at supersonic speeds but has a negligible effect at subsonic speeds. However, increasing bluntness may also lead to divergence at supersonic speeds. Results of calculations using second-order piston-theory aerodynamics in conjunction with a coupled-mode analysis and an uncoupled-mode analysis are compared with the experimental results for the sharp-edge airfoils at supersonic speeds. The uncoupled-mode analysis more accurately predicted the flutter characteristics of the tapered-planform models, whereas the coupled-mode analysis was somewhat better for the square-planform models. For both the uncoupled- and coupled-mode analyses, agreement with the experimental results improved with increasing Mach number. In general, both methods of analysis gave unconservative results with respect to the experimental flutter boundaries.

Hanson, Perry W.↗

DOE OSTI2021

Ultrafast Adsorbate Excitation Probed with Subpicosecond-Resolution X-Ray Absorption Spectroscopy

We use a pump-probe scheme to measure the time evolution of the C K-edge x-ray absorption spectrum from CO/Ru(0001) after excitation by an ultrashort high-intensity optical laser pulse. Because of the short duration of the x-ray probe pulse and precise control of the pulse delay, the excitation-induced dynamics during the first picosecond after the pump can be resolved with unprecedented time resolution. By comparing with density functional theory spectrum calculations, we find high excitation of the internal stretch and frustrated rotation modes occurring within 200 fs of laser excitation, as well as thermalization of the system in the picosecond regime. The ~100 fs initial excitation of these CO vibrational modes is not readily rationalized by traditional theories of nonadiabatic coupling of adsorbates to metal surfaces, e.g., electronic frictions based on first order electron-phonon coupling or transient population of adsorbate resonances. Finally, we suggest that coupling of the adsorbate to nonthermalized electron-hole pairs is responsible for the ultrafast initial excitation of the modes.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

An analytic approach to quasinormal modes for coupled linear systems

Quasinormal modes describe the ringdown of compact objects deformed by small perturbations. In generic theories of gravity that extend General Relativity, the linearized dynamics of these perturbations is described by a system of coupled linear differential equations of second order. We first show, under general assumptions, that such a system can be brought to a Schrödinger-like form. We then devise an analytic approximation scheme to compute the spectrum of quasinormal modes. We validate our approach using a toy model with a controllable mixing parameter ε and showing that the analytic approximation for the fundamental mode agrees with the numerical computation when the approximation is justified. The accuracy of the analytic approximation is at the (sub-) percent level for the real part and at the level of a few percent for the imaginary part, even when ε is of order one. Our approximation scheme can be seen as an extension of the approach of Schutz and Will [1] to the case of coupled systems of equations, although our approach is not phrased in terms of a WKB analysis, and offers a new viewpoint even in the case of a single equation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1994

Coupled 2-dimensional cascade theory for noise and unsteady aerodynamics of blade row interaction in turbofans. Volume 1: Theory development and parametric studies

Typical analytical models for interaction between rotor and stator in a turbofan analyze the effect of wakes from the rotor impinging on the stator, producing unsteady loading, and thereby generating noise. Reflection/transmission characteristics of the rotor are sometimes added in a separate calculation. In those models, there is a one-to-one relationship between wake harmonics and noise harmonics; that is, the BPF (blade passing frequency) wake harmonic causes only the BPF noise harmonic, etc. This report presents a more complete model in which flow tangency boundary conditions are satisfied on two cascades in relative motion for several harmonics simultaneously. By an extension of S.N. Smith's code for two dimensional flat plate cascades, the noise generation/frequency scattering/blade row reflection problem is solved in a single matrix inversion. It is found that the BPF harmonic excitation of the stator scatters considerable energy in the higher BPF harmonics due to relative motion between the blade rows. Furthermore, when swirl between the rotor and stator is modeled, a 'mode trapping' effect occurs which explains observations on fans operating at rotational speeds below BFP cuton: the BPF mode amplifies between blade rows by multiple reflections but cannot escape to the inlet and exit ducts. However, energy scattered into higher harmonics does propagate and dominates the spectrum at two and three times BPF. This report presents the complete derivation of the theory, comparison with a previous (more limited) coupled rotor/stator interaction theory due to Kaji and Okazaki, exploration of the mode trapping phenomenon, and parametric studies showing the effects of vane/blade ratio and rotor/stator interaction. For generality, the analysis applies to stages where the rotor is either upstream or downstream of the stator and to counter rotation stages. The theory has been coded in a FORTRAN program called CUP2D, documented in Volume 2 of this report. It is concluded that the new features of this analysis - unsteady coupling, frequency scattering, and flow turning between rotor and stator - have a profound effect on noise generation caused by rotor/stator interaction. Treating rotors and stators as isolated cascades is not adequate for noise analysis and prediction.

Hanson, Donald B.↗

DOE OSTI2022

Stout Smearing on a Quantum Computer

Smearing of gauge-field configurations in lattice field theory improves the results of lattice simulations by suppressing high energy modes from correlation functions. In quantum simulations, high kinetic energy eigenstates are introduced when the time evolution operator is approximated such as Trotterization. While improved Trotter product formulae exist to reduce the errors, they have diminishing accuracy returns with respect to resource costs. Therefore having an algorithm that has fewer resources than an improved Trotter formula is desirable. In this work I develop a representation agnostic method for quantum smearing and show that it reduces the coupling to high energy modes in the discrete nonabelian gauge theory $D_4$

Gustafson, Erik J.↗

NASA NTRS1967

Nonlinear oscillations of a fluttering plate. II.

VON KARMAN EQUATION↗

DOE OSTI2024

Conformal boundary conditions for a 4d scalar field

We construct unitary, stable, and interacting conformal boundary conditions for a free massless scalar in four dimensions by coupling it to edge modes living on a boundary. The boundary theories we consider are bosonic and fermionic QED _3 3 with N_f N f flavors and a Chern-Simons term at level k k , in the large- N_f N f limit with fixed k/N_f k / N f . We find that interacting boundary conditions only exist when k≠ 0 k ≠ 0 . To obtain this result we compute the \beta β functions of the classically marginal couplings at the first non-vanishing order in the large- N_f N f expansion, and to all orders in k/N_f k / N f and in the couplings. To check vacuum stability we also compute the large- N_f N f effective potential. We compare our results with the the known conformal bootstrap bounds.

Di Pietro, Lorenzo (ORCID:0000000174965276)↗

DOE OSTI2024

Inelastic Triatom-Atom Quantum Close-Coupling Dynamics in Full Dimensionality: All Rovibrational Mode Quenching of Water Due to the H Impact on a Six-Dimensional Potential Energy Surface

The rovibrational level populations, and subsequent emission in various astrophysical environments, are driven by inelastic collision processes. The available rovibrational rate coefficients for water have been calculated using a number of approximations. We present a numerically exact calculation for the rovibrational quenching for all water vibrational modes due to collisions with atomic hydrogen. The scattering theory implements a quantum close-coupling (CC) method on a high level ab initio six-dimensional (6D) potential energy surface (PES). Total rovibrational quenching cross sections for excited bending levels were compared with earlier results on a 4D PES with the rigid-bender closecoupling (RBCC) approximation. General agreement between 6D-CC and 4DRBCC calculations are found, but differences are evident including the energy and amplitude of low-energy orbiting resonances. Quenching cross sections from the symmetric and asymmetric stretch modes are provided for the first time. The current 6D-CC calculation provides accurate inelastic data needed for astrophysical modeling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

A theoretical kinetic study of ĊH 3 + ṄH 2 : From electronic structure to NH 3 /CH 4 combustion modelling implications

Carbon–nitrogen interaction reactions play an important role in governing the reactivity of ammonia blended fuels. However, there remains uncertainties regarding their detailed reaction pathways and rate constants, hampering the development of high-fidelity chemical kinetic models. In this study, the kinetics of ĊH 3 + ṄH 2 , a key C–N interaction reaction in ammonia/methane blend combustion have been investigated. The potential energy surface has been explored using the high-level ANL0F method, yielding highly accurate stationary point energies that agree with ATcT values within 0.1 kcal mol –1 . Variable reaction coordinate transition state theory is used to treat the barrierless association and decomposition reaction channels, based on directly sampled radical-radical interaction energies at the CASPT2-F12(2e,2o)/cc-pVTZ-F12 level of theory. The minimum transitional mode numbers of states obtained are then coupled with the RRKM/master equation to calculate temperature- and pressure-dependent rate constants. Our a priori calculations capture available experimental measurements from the literature very well. The calculated rate constants have been incorporated into an NH 3 /CH 4 chemical kinetic model currently under development at the University of Galway. The effect of the updated kinetic data for ĊH 3 + ṄH 2 on model predicted NH 3 /CH 4 fuel reactivity is elucidated.

ab initio↗

NASA NTRS1984

Coupled-mode analysis of phase-locked injection laser arrays

A coupled-mode analysis has been developed to describe the output of phase-locked injection laser arrays. It is shown that an array of emitters with weak coupling can only operate in a set of discrete modes determined by the number of and the spacing of the emitters. The interaction between emitters leads to a splitting of the common frequency of operation that can be estimated from the coupling strength. The coupled-mode analysis is compared to calculations based on simple diffraction theory. A consequence of the analysis is an explanation for the commonly observed discrepancy between experimentally observed far-field lobe widths and those predicted by simple diffraction theory.

Butler, J. K.↗

NASA NTRS2003

Coherent Effects in Tiny Optics: Tunneling Through the Looking Glass

I will discuss two types of one-dimensional photonic bandgap (PBG) effects that can arise in systems of coupled spherical resonators: (1) nearly-free-photon Fabry-Perot photonic bands that arise in quarter-wave concentrically stratified spheres and, (2) tight- binding photonic bands that arise in weakly-coupled mutually-resonant spheres as a result of whispering-gallery mode splitting. These effects can be derived directly from Mie theory, in a more straightforward manner, by exploiting an analogy with stratified planar systems. For odd numbers of mutually-resonant lossless coupled ring resonators, the circulating intensity can increase exponentially with the number of resonators, which can potentially be exploited for the development of advanced sensors. For even numbers of resonators, mode splitting and classical destructive interference lead to a cancellation of absorption and slow light on-resonance, reminiscent of electromagnetic induced transparency. The analogy between these coherent photon trapping effects and population trapping in an atomic system will be explored.

Smith, David D.↗

DOE OSTI2020

On the origin of ground-state vacuum-field catalysis: Equilibrium consideration

Recent experiments suggest that vibrational strong coupling (VSC) may significantly modify ground-state chemical reactions and their rates even without external pumping. The intrinsic mechanism of this “vacuum-field catalysis” remains largely unclear. Generally, modifications of thermal reactions in the ground electronic states can be caused by equilibrium or non-equilibrium effects. The former are associated with modifications of the reactant equilibrium distribution as expressed by the transition state theory of chemical reaction rates, while the latter stem from the dynamics of reaching and leaving transition state configurations. In this work, we examine how VSC can affect chemical reactions rates in a cavity environment according to transition state theory. Our approach is to examine the effect of coupling to cavity mode(s) on the potential of mean force (PMF) associated with the reaction coordinate. Within the context of classical nuclei and classical photons and also assuming no charge overlap between molecules, we find that while the PMF can be affected by the cavity environment, this effect is negligible for the usual micron-length cavities used to examine VSC situations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Quasinormal modes for non-minimally coupled scalar fields in regular black hole spacetimes: Grey-body factors, area spectrum and shadow radius

Black hole perturbation theory is a useful approach to study interactions between black holes and fundamental fields. A particular class of black hole solutions arising out of modification of Einstein’s general theory of relativity are regular black holes (RBHs) which can be constructed using a nonlinear electrodynamic Lagrangian. Because of their importance, we are interested in studying the behavior of three kinds of such RBHs under perturbations generated by an external field. Indeed, we investigate the quasinormal modes (QNMs) of a massive scalar field propagating near the RBHs which is non-minimally coupled to the Ricci scalar-tensor of background geometry. We will attempt to find the low-lying quasinormal frequencies of the perturbations by using WKB approximation. We shall also study the relationship between the QNMs and some characteristic properties of black holes such as grey-body factors, area quantization, and shadow radius.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Coupled Lindblad Pseudomode Theory for Simulating Open Quantum Systems

Coupled Lindblad pseudomode theory is a promising approach for simulating non-Markovian quantum dynamics on both classical and quantum platforms, with dynamics that can be realized as a quantum channel. We provide theoretical evidence that the number of coupled pseudomodes only needs to scale as polylog⁡(𝑇/𝜖) in the simulation time 𝑇 and precision 𝜖. Inspired by the realization problem in control theory, we also develop a robust numerical algorithm for constructing the coupled modes that avoid the nonconvex optimization required by existing approaches. We demonstrate the effectiveness of our method by computing population dynamics and absorption spectra for the spin-boson model. Furthermore, this Letter provides a significant theoretical and computational improvement to the coupled Lindblad framework, which impacts a broad range of applications from classical simulations of quantum impurity problems to quantum simulations on near-term quantum platforms.

Anderson impurity model↗