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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Diverse Manifestations of Electron-Phonon Coupling in a Kagome Superconductor

Recent angle-resolved photoemission spectroscopy (ARPES) experiments on the kagome metal CsV_{3}Sb_{5} revealed distinct multimodal dispersion kinks and nodeless superconducting gaps across multiple electron bands. The prominent photoemission kinks suggest a definitive coupling between electrons and certain collective modes, yet the precise nature of this interaction and its connection to superconductivity remain to be established. Here, employing the state-of-the-art ab initio many-body perturbation theory computation, we present direct evidence that electron-phonon (e-ph) coupling induces the multimodal photoemission kinks in CsV_{3}Sb_{5}, and profoundly, drives the nodeless s-wave superconductivity, showcasing the diverse manifestations of the e-ph coupling. Our calculations well capture the experimentally measured kinks and their fine structures, and reveal that vibrations from different atomic species dictate the multimodal behavior. Results from anisotropic GW-Eliashberg equations predict a phonon-mediated superconductivity with nodeless s-wave gaps, in excellent agreement with various ARPES and scanning tunneling spectroscopy measurements. Despite the universal origin of the e-ph coupling, the contributions of several characteristic phonon vibrations vary in different phenomena, highlighting a versatile role of e-ph coupling in shaping the low-energy excitations of kagome metals.

Electron-phonon coupling↗
NASA NTRS1990

Aeroelastic stability analysis of a high-energy turbine blade

The dynamic analysis for the SSME HPOTP first stage turbine blade is presented wherein the rotor aeroelastic stability is assessed. The method employs normal modes analysis to simulate the coupled blade/fluid system. A three-dimensional finite element model of the blade is used in conjunction with a two-dimensional linearized unsteady aerodynamic theory which accounts for steady aerodynamic loading effects. This unsteady aerodynamic model is applied in stacked axisymmetric strips along the airfoil span. The blade dynamic and aerodynamic behaviors are coupled within modal space by expressing the unsteady aerodynamic forces in the frequency domain. A complex eigenvalue problem is solved to determine the stability of the rotor assuming tuned blades. The present analysis indicates that the HPOTP rotor experiences very low aerodynamic damping in the first four vibrational modes. The edgewise mode was found to be dynamically unstable. This mode of the blade became stable when the effect of mechanical damping was considered.

Smith, Todd E.↗
DOE OSTI2023

Shedding Light on the Vibrational Signatures in Halogen‐Bonded Graphitic Carbon Nitride Building Blocks

Abstract The relative contributions of halogen and hydrogen bonding to the interaction between graphitic carbon nitride monomers and halogen bond (XB) donors containing C−X and C≡C bonds were evaluated using computational vibrational spectroscopy. Conventional probes into select vibrational stretching frequencies can often lead to disconnected results. To elucidate this behavior, local mode analyses were performed on the XB donors and complexes identified previously at the M06‐2X/aVDZ‐PP level of theory. Due to coupling between low and high energy C−X vibrations, the C≡C stretch is deemed a better candidate when analyzing XB complex properties or detecting XB formation. The local force constants support this conclusion, as the C≡C values correlate much better with the σ ‐hole magnitude than their C−X counterparts. The intermolecular local stretching force constants were also assessed, and it was found that attractive forces other than halogen bonding play a supporting role in complex formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1974

Mutual coupling between circular waveguide-fed apertures in a rectangular ground plane

A method is presented whereby the infinite ground plane analytical model for the self-admittance and mutual admittance of waveguide-fed apertures can be supplemented (using the geometrical theory of diffraction) to include the edge effects of a rectangular ground plane. The H-plane coupling between two TE-11 mode excited circular apertures is calculated and compared with measurements.

Bailey, M. C.↗
DOE OSTI2020

Eikonal black hole ringings in generalized energy-momentum squared gravity

In the scope of black hole spectroscopy, several attempts have been made in the past decades to test black holes or gravitational theories via black hole quasinormal modes. In the eikonal approximation, the quasinormal modes are generically associated with the photon ring of the black hole. This correspondence is valid for most cases in general relativity, but may not be true in other theories of gravity. In this paper, we consider the generalized energy-momentum squared gravity in which matter fields are nonminimally coupled to geometry. We investigate the axial perturbations of the charged black holes in this model, without assuming any explicit expression of the action functional. After obtaining the modified Klein-Gordon equation and the modified Maxwell equations, we perturb the gravitational equations and the modified Maxwell equations to derive the coupled master equations of the axial perturbations. In the presence of the nonminimal coupling between matter and geometry, the correspondence between the eikonal quasinormal modes and the photon ring is not satisfied in general. Also, the two coupled fields of the axial perturbations are found to propagate independently, and they do not share the same quasinormal frequencies in the eikonal limit.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1989

Enhanced element-specific modal formulations for flexible multibody dynamics

The accuracy of current flexible multibody formalisms based on assumed modes is examined in the context of standard spacecraft motions involving structural components undergoing both slow and fast overall translational and rotational motions as well as small deformations. Limitations of current techniques in treating: (1) element-specific coupling behavior of large motion and small deformation, and (2) motion-induced structural stiffness variations, are noted. The roles of nonlinear and linear elastic structural theories in accurately predicting transient large-displacement dynamic behavior of flexible multibody systems are examined in detail. Coupling effects between deformation and overall motion are carefully scrutinized in the context of assumed-mode discretization techniques. Consistently linearized beam, plate, and shell formulations involving in-plane stretch variables are proposed and shown to yield very accurate simulation results and extremely fast modal convergence for most motions involving small strains. In some particular cases, however, in which membrane stiffness dominates bending stiffness, a nonlinear strain formulation is required in order to capture proper coupling between deformation and overall motion.

Ryan, Robert R.↗
DOE OSTI2025

Non-equilibrium anti-Stokes Raman spectroscopy for investigating Higgs modes in superconductors

Abstract Even before its role in electroweak symmetry breaking, the Anderson-Higgs mechanism was introduced to explain the Meissner effect in superconductors. Spontaneous symmetry-breaking yields massless phase modes representing the low-energy excitations of the Mexican-Hat potential. Only in superconductors the phase mode is shifted towards higher energies owing to the gauge field of the charged condensate. This results in a low-energy excitation spectrum governed by the Higgs mode. Consequently, the Bardeen-Cooper-Schrieffer-like Meissner effect signifies a macroscopic quantum condensate in which a photon acquires mass, representing a one-to-one analogy to high-energy physics. We report on an innovative spectroscopic technique to study symmetries and energies of the Higgs modes in the high-temperature superconductor Bi 2 Sr 2 CaCu 2 O 8 after a soft quench of the Mexican-Hat potential. Population inversion induced by an initial laser pulse leads to an additional anti-Stokes Raman-scattering signal, which is consistent with polarization-dependent Higgs modes. Within Ginzburg-Landau theory, the Higgs-mode energy is connected to the Cooper-pair coherence length. Within a Bardeen-Cooper-Schrieffer weak-coupling model we develop a quantitative and coherent description of single-particle and two-particle channels. This opens the avenue for Higgs Spectroscopy in quantum condensates and provides a unique pathway to control and explore Higgs physics.

Science & Technology - Other Topics↗
NASA NTRS1981

Edge delamination in angle-ply composite laminates

Edge delamination has caused severe concern in the design and analysis of advanced composite materials and structures. Due to its complex nature, very limited knowledge for the problem is currently available. It involves not only geometric and material discontinuities but also inherently coupled mode I, II and III fracture in the layered anisotropic system. Based on complex-variable stress potentials in the anisotropic elasticity theory and eigenfunction expansion, exact orders of the crack-tip stress singularity and complete field solutions are obtained. Results are given for edge delaminated, angle-ply composites subjected to uniform axial extension for illustrative purposes. Effects of geometric, lamination, and crack variables are determined.

Wang, S. S.↗
NASA NTRS1980

Helicopter theory

A comprehensive presentation is made of the engineering analysis methods used in the design, development and evaluation of helicopters. After an introduction covering the fundamentals of helicopter rotors, configuration and operation, rotary wing history, and the analytical notation used in the text, the following topics are discussed: (1) vertical flight, including momentum, blade element and vortex theories, induced power, vertical drag and ground effect; (2) forward flight, including in addition to momentum and vortex theory for this mode such phenomena as rotor flapping and its higher harmonics, tip loss and root cutout, compressibility and pitch-flap coupling; (3) hover and forward flight performance assessment; (4) helicopter rotor design; (5) rotary wing aerodynamics; (6) rotary wing structural dynamics, including flutter, flap-lag dynamics ground resonance and vibration and loads; (7) helicopter aeroelasticity; (8) stability and control (flying qualities); (9) stall; and (10) noise.

Johnson, W.↗
DOE OSTI2024

Theory predicts 2D chiral polaritons based on achiral Fabry–Pérot cavities using apparent circular dichroism

Abstract Realizing polariton states with high levels of chirality offers exciting prospects for quantum information, sensing, and lasing applications. Such chirality must emanate from either the involved optical resonators or the quantum emitters. Here, we theoretically demonstrate a rare opportunity for realizing polaritons with so-called 2D chirality by strong coupling of the optical modes of (high finesse) achiral Fabry–Pérot cavities with samples exhibiting “apparent circular dichroism” (ACD). ACD is a phenomenon resulting from an interference between linear birefringence and dichroic interactions. By introducing a quantum electrodynamical theory of ACD, we identify the design rules based on which 2D chiral polaritons can be produced, and their chirality can be optimized.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

Nonlinear interactions in mixing layers and compressible heated round jets

The nonlinear interactions between a fundamental instability mode and both its harmonics and the changing mean flow are studied using the weakly nonlinear stability theory of Stuart and Watson, and numerical solutions of coupled nonlinear partial differential equations. The first part focuses on incompressible cold (or isothermal; constant temperature throughout) mixing layers, and for these, the first and second Landau constants are calculated as functions of wavenumber and Reynolds number. It is found that the dominant contribution to the Landau constants arises from the mean flow changes and not from the higher harmonics. In order to establish the range of validity of the weakly nonlinear theory, the weakly nonlinear and numerical solutions are compared and the limitation of each is discussed. At small amplitudes and at low-to-moderate Reynolds numbers, the two results compare well in describing the saturation of the fundamental, the distortion of the mean flow, and the initial stages of vorticity roll-up. At larger amplitudes, the interaction between the fundamental, second harmonic, and the mean flow is strongly nonlinear and the numerical solution predicts flow oscillations, whereas the weakly nonlinear theory yields saturation. In the second part, the weakly nonlinear theory is extended to heated (or nonisothermal; mean temperature distribution) subsonic round jets where quadratic and cubic nonlinear interactions are present, and the Landau constants also depend on jet temperature ratio, Mach number and azimuthal mode number. Under exponential growth and nonlinear saturation, it is found that heating and compressibility suppress the growth of instability waves, that the first azimuthal mode is the dominant instability mode, and that the weakly nonlinear solution describes the early stages of the roll-up of an axisymmetric shear layer. The receptivity of a typical jet flow to pulse type input disturbance is also studied by solving the initial value problem and then examining the behavior of the long-time solution.

Jarrah, Yousef Mohd↗
DOE OSTI2022

Extensions of a classical mechanics “piston-model” for understanding the impact of asymmetry on ICF implosions: The cases of mode 2, mode 2/1 coupling, time-dependent asymmetry, and the relationship to coast-time

As long suspected, low mode asymmetry in inertially confined fusion (ICF) implosions has been implicated as a performance limiting factor [Casey et al., “Evidence of three-dimensional asymmetries seeded by high-density carbon-ablator nonuniformity in experiments at the national ignition facility,” Phys. Rev. Lett. 126, 025002 (2021)]. Recently a non-linear, but solvable, theory [Hurricane et al., “An analytic asymmetric-piston model for the impact of mode-1 shell asymmetry on ICF implosions,” Phys. Plasmas 27, 062704 (2020)] based upon the simple picture of a pair of asymmetric pistons has generated new insights and provided some practical formulas for estimating the degradation of an implosion due to mode-1 asymmetry and demonstrated a previously unrecognized connection between measured hot-spot drift velocity, nuclear down-scatter ratio asymmetry, and the concept of residual kinetic energy (RKE). Asymmetry of the implosion “shell,” as opposed to asymmetry of the hot-spot, was key to the classical mechanics model because the majority of the kinetic energy in an implosion is carried by the shell. Herein, the two-piston model is extended to a six-piston model in order to capture mode-2 asymmetry and coupling between mode-1 and mode-2. A key result of this new six-piston model is that the weighted harmonic mean of shell areal density is the fundamental quantity that determines the RKE and performance degradations for a three-dimensional implosion. Agreement is found between the scalings coming from the theory and ICF implosion data from the National Ignition Facility and to large ensembles of detailed simulations. The connection between the piston model's dependence upon the radius of peak velocity and coast-time is also highlighted in this paper. Finally, by extending the two-piston model to include time-dependent “swing,” it is shown in the Appendix that the shell asymmetry at the time of stagnation dominates the solution for RKE.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Integrating out beyond tree level and relativistic superfluids

We revisit certain subtleties of renormalization that arise when one derives a low-energy effective action by integrating out the heavy fields of a more complete theory. Usually these subtleties are circumvented by matching some physical observables, such as scattering amplitudes, but a more involved procedure is required if one is interested in deriving the effective theory to all orders in the light fields (but still to fixed order in the derivative expansion). As a concrete example, we study the U(1) Goldstone low-energy effective theory that describes the spontaneously broken phase of a $\phi$ 4 theory for a complex scalar. Working to lowest order in the derivative expansion, but to all orders in the Goldstones, we integrate out the radial mode at one loop and express the low-energy effective action in terms of the renormalized couplings of the UV completion. This yields the one-loop equation of state for the superfluid phase of (complex) $\phi$ 4 . We perform the same analysis for a renormalizable scalar SO(N) theory at finite chemical potential, integrating out the gapped Goldstones as well, and confirm that the effective theory for the gapless Goldstone exhibits no obvious sign of the original SO(N) symmetry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

The Influence of Cloud Types on Cloud–Radiative Forcing During DYNAMO/AMIE

Cloud-radiative feedback is known to be an important process for the Madden-Julian Oscillation (MJO) and its accurate representation in general circulation models. The MJO is known to have a stronger cloud-radiative feedback compared to higher frequency convectively coupled equatorial waves (CCEW), for reasons that remain unclear. The objective of this study is to use data from the Dynamics of the MJO/Atmospheric Radiation Measurement MJO Investigation Experiment field campaign to investigate how cloud type evolution and their associated cloud-radiative forcing (CRF) differ between the MJO and CCEWs and their application to MJO dynamics under moisture mode theory. This study finds that the amplitude of CRF is the largest within the MJO compared to the higher frequency CCEWs, and CRF maximizes after the maximum precipitation (enhanced phase) of the MJO. We suggest this delay in the timing of maximum CRF occurs because most cloud types (congestus, deep, anvil, and cirrus) simultaneously maximize in frequency after the enhanced phase of the MJO, which is not seen for the higher frequency CCEWs. These specific cloud types help maintain the MJO through their radiatively-driven moistening which acts to prolong the enhanced phase of the MJO. The decomposition of radiatively-driven moistening by cloud types shows that simultaneous moistening by deep, anvil, and congestus clouds are particularly responsible for the maintenance of the MJO under moisture mode theory. Further, this analysis suggests the importance of capturing the correct evolution of different cloud types and their associated radiative effects to better understand the thermodynamics of the MJO.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Concordant Mode Approach (CMA): Vibrational Analysis of New and Upgraded Intermolecular Benchmarks for Noncovalent Bonding

The Concordant Mode Approach (CMA) is a novel method that offers tremendous potential for increasing the system size and the level of theory attainable in quantum chemical computations of molecular vibrational frequencies. To investigate the extension of CMA to intermolecular vibrations, computations with coupled cluster singles and doubles with perturbative triples theory [CCSD(T)] using two augmented correlation-consistent polarized-valence triple-ζ basis sets (aug-cc-pVTZ or h-aug-ccpVTZ) were performed on 17 prototypical loosely bound complexes of hydrogen-bonded, dispersion, and mixed character. These Level A results provide new and upgraded benchmarks for noncovalent bonding and a severe test for CMA vibrational analyses. The Level A target frequencies were recovered remarkably well using second-order Møller−Plesset perturbation theory (MP2) with h-aug-cc-pVTZ for generating the underlying (Level B) normal modes of the CMA scheme. Employing this Level B within the lowest-rung CMA-0A method reproduces the 435 benchmark frequencies with a mean absolute error (MAE) of 0.23 cm −1 and a corresponding standard deviation (σ) of 0.84 cm −1 ; strikingly, the corresponding subset of 106 interfragment frequencies exhibits MAE = 0.34 cm −1 and σ = 0.90 cm −1 . Subsequent application of the higher-rung CMA-2A scheme eliminates all outliers and reduces the overall MAE to a minuscule 0.08 cm −1 with the inclusion of only 3.0% of the off-diagonal couplings not accounted for by CMA-0A. Accordingly, the highly efficient CMA methodology proves to be robust even for vibrations on flat potential energy surfaces.

Aromatic compounds↗
DOE OSTI2025

Fermi’s Golden Rule Rate Expression for Transitions Due to Nonadiabatic Derivative Couplings in the Adiabatic Basis

Starting from a general molecular Hamiltonian expressed in the basis of adiabatic electronic and nuclear position states, where a compact and complete expression for the nonadiabatic derivative coupling (NDC) Hamiltonian term is obtained, we provide a general analysis of the Fermi’s golden rule (FGR) rate expression for nonadiabatic transitions between adiabatic states. We then consider a quasi-adiabatic approximation that uses crude adiabatic states and NDC couplings, both evaluated at the minimum potential energy configuration of the initial adiabatic state, for the definition of the zeroth and first-order terms of the Hamiltonian. Although the application of this approximation is rather limited, it allows deriving a general FGR rate expression without further approximation while accounting for non-Condon contribution to the FGR rate arising from momentum operators of NDC terms and its coupling with vibronic displacements. For a generic and widely used model where all nuclear degrees of freedom and environmental effects are represented as linearly coupled harmonic oscillators, we derive a closed-form FGR rate expression that requires only Fourier transform. The resulting rate expression includes quadratic contributions of NDC terms and their couplings to Franck–Condon modes, which require evaluation of two additional bath spectral densities in addition to the conventional one that appears in a typical FGR rate theory based on the Condon approximation. Model calculations for the case where nuclear vibrations consist of both a sharp high-frequency mode and an Ohmic bath spectral density illustrate new features and implications of the rate expression. We then apply our theoretical expression to the nonradiative decay from the first excited singlet state of azulene, which illustrates the utility and implications of our theoretical results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

Dynamics of articulated structures

An articulated structure is defined as an assembly of flexible bodies that may be coupled by kinematic connections and force elements that permit large relative displacement and rotation. Kinematics of such systems is defined using one reference frame for each body in the system and deformation modal coordinates that define displacement fields within flexible bodies. Deformation kinematics are defined by both elastic vibration and static correction deformation modes. Linear elastic deformation is presumed; i.e., a linear stress-strain relation is valid and relative displacements within each elastic component are small enough so that the theory of linear elasticity applies. Coupling of reference and modal coordinates leads to a system of nonlinear equations of motion. Methods of automatically generating and solving these equations of motion are outlined.

Haug, Edward J.↗
DOE OSTI2024

Lifting of two-mode states in the D1-D5 CFT

We consider D1-D5-P states in the untwisted sector of the D1-D5 orbifold CFT where one copy of the seed CFT has been excited by a pair of oscillators, each being either bosonic or fermionic. While such states are BPS at the orbifold point, they will in general ‘lift’ as the theory is deformed towards general values of the couplings. We compute the expectation value of this lift at second order in the deformation parameter for the above mentioned states. We write this lift in terms of a fixed number of nested contour integrals on a given integrand; this integrand depends on the mode numbers of the oscillators in the state. We evaluate these integrals to obtain the explicit value of the lift for various subfamilies of states. At large mode numbers one observes a smooth increase of the lift with the dimension of the state h; this increase appears to follow a ~ √h behavior similar to that found analytically in earlier computations for other classes of states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗