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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Localised plasmons in sphere-like fullerenes and nanoparticles with conducting shells: Classical electrodynamic approach

Based on the classical electrodynamic approach, we consider localised plasmons in fullerenes and small particles with metal layers and shells. At low energies of the radiation quantum, models of fullerenes as conducting shells are used taking into account the contribution of only π electrons, and at high energies, of both π and σ electrons. The obtained maxima of the scattering cross sections correspond to the values of 20 and 27 eV that were determined experimentally and in quantum models for the maxima of the photoionisation cross sections of fullerenes C{sub 60} and C{sub 28}, respectively. Approximate analytical results are presented for resonant frequencies, Q factors, radiation patterns, scattering and absorption cross sections for sphere-like particles and fullerenes, as well as integral equations and functionals for dielectric particles with a conducting shell of arbitrary shape. Analysis relies on the use of effective surface conductivity. (plasmons)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Understanding detailed balance for an electron-radiation system through mixed quantum-classical electrodynamics

We investigate detailed balance for a quantum system interacting with thermal radiation within mixed quantum-classical theory. For a two-level system coupled to classical radiation fields, three semiclassical methods are benchmarked: (1) Ehrenfest dynamics overestimate the excited-state population at equilibrium due to the failure of capturing vacuum fluctuations. (2) The coupled Maxwell-Bloch equations, which supplement Ehrenfest dynamics by damping at the full golden rule rate, underestimate the excited state population due to double-counting of the self-interaction effect. (3) Ehrenfest+R dynamics recover detailed balance and the correct thermal equilibrium by enforcing the correct balance between the optical excitation and spontaneous emission of the quantum system. Furthermore, these results highlight the fact that, when properly designed, mixed quantum-classical electrodynamics can simulate thermal equilibrium in the field of nanoplasmonics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Ehrenfest+R dynamics. I. A mixed quantum–classical electrodynamics simulation of spontaneous emission

The dynamics of an electronic system interacting with an electromagnetic field is investigated within mixed quantum–classical theory. Beyond the classical path approximation (where we ignore all feedback from the electronic system on the photon field), we consider all electron–photon interactions explicitly according to Ehrenfest (i.e., mean-field) dynamics and a set of coupled Maxwell–Liouville equations. Because Ehrenfest dynamics cannot capture certain quantum features of the photon field correctly, we propose a new Ehrenfest+R method that can recover (by construction) spontaneous emission while also distinguishing between electromagnetic fluctuations and coherent emission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy

The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one- and three-dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. Here, we consider three flavors of mixed quantum-classical dynamics: (i) the classical path approximation (CPA), (ii) Ehrenfest dynamics, and (iii) symmetrical quasiclassical (SQC) dynamics. Our findings are as follows: (i) The CPA fails to recover a consistent description of spontaneous emission, (ii) a consistent “spontaneous” emission can be obtained from Ehrenfest dynamics, provided that one starts in an electronic superposition state, and (iii) spontaneous emission is always obtained using SQC dynamics. Using the SQC and Ehrenfest frameworks, we further calculate the dynamics following an incoming pulse, but here we find very different responses: SQC and Ehrenfest dynamics deviate sometimes strongly in the calculated rate of decay of the transient excited state. Nevertheless, our work confirms the earlier observations by Miller [J. Chem. Phys. 69, 2188 (1978)] that Ehrenfest dynamics can effectively describe some aspects of spontaneous emission and highlights interesting possibilities for studying light-matter interactions with semiclassical mechanics.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Semi-classical Electrodynamics: A Short Note

I have previously claimed the key to understanding the numerical value of the fine structure constant is near-field corrections which terminate integrals at low virtual photon energies, thus obverting an infrared divergence common to many QED calculations. I have since switched to a physics-based calculation of the near-field corrections, instead of the previously used educated guess. The relevant equations are presented here.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Radiation reaction of classical hyperbolic oscillator: Experimental signatures

When accelerated by a constant force in the lab frame, a classical charge experiences no self force. In this case, the particle radiates without dissipating its kinetic and potential energy. But what happens when the particle enters another region with equal and opposite acceleration? Does the oscillating charge lose its mechanical energy similar to a radiating dipole, even though it seems to lose no mechanical energy within each region of constant acceleration? In this paper, I will show how mechanical energy is transferred to radiation energy via the Schott energy when the particle crosses the boundary between the two regions. In particular, I will show how preacceleration, which is usually regarded as an unphysical effect of the Lorentz–Abraham–Dirac self force, is essential for the energy transfer. Moreover, I will show that the commonly adopted Landau–Lifshitz approximation, which removes preacceleration, introduces second-order secular energy error. On a more fundamental level, the validity of classical electrodynamics is in fact questionable because quantum effects are likely important. The classical prediction can be tested experimentally by observing frequency chirping of radiation, whereby micro physics leaves signatures on macroscopic scales. The required experimental accuracy is estimated. Trap experiments of this type is complementary to collider experiments that endeavor to observe radiation reaction for elementary particles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Understanding the nature of mean-field semiclassical light-matter dynamics: An investigation of energy transfer, electron-electron correlations, external driving, and long-time detailed balance

Semiclassical electrodynamics (with quantum matter plus classical electrodynamics fields) is an appealing approach for studying light-matter interactions, especially for realistic molecular systems. However, there is no unique semiclassical scheme. On the one hand, intermolecular interactions can be described instantaneously by static two-body interactions connecting two different molecules, while a classical transverse E field acts as a spectator at short distance; we will call this Hamiltonian no. I. On the other hand, intermolecular interactions can also be described as effects that are mediated exclusively through a classical one-body Ε field without any quantum effects at all (assuming we ignore electronic exchange); we will call this Hamiltonian no. II. Moreover, one can also mix these two different Hamiltonians into a third, hybrid Hamiltonian, which preserves quantum electron-electron correlations for lower excitations but describes higher excitations in a mean-field way. To investigate which semiclassical scheme is most reliable for practical use, here we study the real-time dynamics of a minimalistic many-site model—a pair of identical two-level systems (TLSs)—undergoing either resonance energy transfer (RET) or collectively driven dynamics. While both approaches (no. 1 and no. 2) perform reasonably well when there is no strong external excitation, we find that no single approach is perfect for all conditions (and all methods fail when a strong external field is applied). Each method has its own distinct problems: Hamiltonian no. I performs best for RET but behaves in a complicated manner for driven dynamics; Hamiltonian no. II is always stable, but obviously fails for RET at short distances. One key finding is that, for externally driven dynamics, a full configuration-interaction description of Hamiltonian no. I strongly overestimates the long-time electronic energy, highlighting the not obvious fact that, if one plans to merge quantum molecules with classical light, a full, exact treatment of electron-electron correlations can actually lead to worse results than a simple mean-field electronic structure treatment. Future work will need to investigate (i) how these algorithms behave in the context of more than a pair of TLSs and (ii) whether or not these algorithms can be improved in general by including crucial aspects of spontaneous emission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Benchmarking semiclassical approaches to strong-field QED: Nonlinear Compton scattering in intense laser pulses

The recoil associated with photon emission is key to the dynamics of ultrarelativistic electrons in strong electromagnetic fields, as found in high-intensity laser-matter interactions and astrophysical environments such as neutron star magnetospheres. When the energy of the photon becomes comparable to that of the electron, it is necessary to use quantum electrodynamics (QED) to describe the dynamics accurately. However, computing the appropriate scattering matrix element from strong-field QED is not generally possible due to multiparticle effects and the complex structure of the electromagnetic fields. Therefore, these interactions are treated semiclassically, coupling probabilistic emission events to classical electrodynamics using rates calculated in the locally constant field approximation. Here, we provide comprehensive benchmarking of this approach against the exact QED calculation for nonlinear Compton scattering of electrons in an intense laser pulse. We find agreement at the percentage level between the photon spectra, as well as between the models' predictions of absorption from the background field, for normalized amplitudes a0 > 5. We discuss possible routes towards improved numerical methods and the implications of our results for the study of QED cascades.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Radiative and nonradiative spontaneous decay rates for an electric quadrupole source in the vicinity of a spherical particle

Analytic expressions for the radiative and nonradiative decay rates for an electric quadrupole source (atom, molecule) in the vicinity of a spherical particle (dielectric, metal) have been derived and analyzed within the classical electrodynamics. It has been shown that the highest increase in the decay rates appears in the quasi-static case, when the wavelength of the transition in question is much larger than the characteristic size of the system formed by the particle and the quadrupole. Asymptotic expressions for the decay rates have been derived for this case.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Bending Magnet Synchrotron Radiation Imaging with Large Orbital Collection Angles

Synchrotron radiation (SR) from bending magnets, wigglers, and undulators is now extensively produced for users at storage ring based light sources, with unique properties in terms of average brightness and stability. Here, we present a profound study of bending magnet SR intensity distribution in the image plane of a focusing optical system. Measurements of this intensity distribution at the MAX-IV low emittance storage ring are compared to theoretical predictions, and found to be in excellent agreement. This work shows upon the possibility of performing high resolution emittance diagnostics with visible or near-visible SR on upcoming low-emittance storage ring based light sources. As a byproduct of our study, we derive a closed analytical expression for the intensity distribution from a zero-emittance beam, in the limiting case of wide orbital collection angles. This expression finally allows us to demonstrate the meeting between classical electrodynamics applied to SR emission and focusing, and the Landau and Lifshitz prediction of radiation intensity distribution nearby a caustic.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Force law in material media, hidden momentum and quantum phases

We address to the force law in classical electrodynamics of material media, paying attention on the force term due to time variation of hidden momentum of magnetic dipoles. We highlight that the emergence of this force component is required by the general theorem, deriving zero total momentum for any static configuration of charges/currents. At the same time, we disclose the impossibility to add this force term covariantly to the Lorentz force law in material media. We further show that the adoption of the Einstein–Laub force law does not resolve the issue, because for a small electric/magnetic dipole, the density of Einstein–Laub force integrates exactly to the same equation, like the Lorentz force with the inclusion of hidden momentum contribution. Thus, none of the available expressions for the force on a moving dipole is compatible with the relativistic transformation of force, and we support this statement with a number of particular examples. In this respect, we suggest applying the Lagrangian approach to the derivation of the force law in a magnetized/polarized medium. In the framework of this approach we obtain the novel expression for the force on a small electric/magnetic dipole, with the novel expression for its generalized momentum. The latter expression implies two novel quantum effects with non-topological phases, when an electric dipole is moving in an electric field, and when a magnetic dipole is moving in a magnetic field. These phases, in general, are not related to dynamical effects, because they are not equal to zero, when the classical force on a dipole is vanishing. The implications of the obtained results are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Quantum signatures in nonlinear gravitational waves

The effective quantum field theory description of gravity, despite its non-renormalizability, allows for predictions beyond classical general relativity. As we enter the age of gravitational wave astronomy, an important and timely question is whether measurable quantum predictions that depart from classical gravity, analogous to quantum optics effects which cannot be explained by classical electrodynamics, can be found. In this work, we investigate quantum signatures in gravitational waves using tools from quantum optics. Squeezed-coherent gravitational waves, which can exhibit sub-Poissonian graviton statistics, can enhance or suppress the signal measured by an interferometer, a characteristic effect of quantum squeezing. Moreover, we show that Gaussian gravitational wave quantum states can be reconstructed from measurements over an ensemble of optical fields interacting with a single copy of the gravitational wave, thus opening the possibility of detecting quantum features of gravity beyond classical general relativity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Bennett-Brassard 1984 quantum key distribution using conjugate homodyne detection

Optical homodyne detection has been widely used in continuous-variable (CV) quantum information processing for measuring field quadrature. In this paper we explore the possibility of operating a conjugate homodyne detection system in “photon counting” mode to implement discrete-variable (DV) quantum key distribution (QKD). A conjugate homodyne detection system, which consists of a beam splitter followed by two optical homodyne detectors, can simultaneously measure a pair of conjugate quadratures X and P of the incoming quantum state. In classical electrodynamics, X 2 + P 2 is proportional to the energy (the photon number) of the input light. In quantum optics, X and P do not commute and thus the above photon-number measurement is intrinsically noisy. This implies that a blind application of standard security proofs of QKD could result in pessimistic performance. We overcome this obstacle by taking advantage of two special features of the proposed detection scheme. First, the fundamental detection noise associated with vacuum fluctuations cannot be manipulated by an external adversary. Second, the ability to reconstruct the photon number distribution at the receiver's end can place additional constraints on possible attacks from the adversary. As an example, we study the security of the BB84 QKD using conjugate homodyne detection and evaluate its performance through numerical simulations. This study may open the door to a family of QKD protocols, complementary to the well-established DV-QKD based on single-photon detection and CV-QKD based on coherent detection.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Quantum Theory of Surface Lattice Resonances

The collective interactions of nanoparticles arranged in periodic structures give rise to high‐ in‐plane diffractive modes known as surface lattice resonances. Although these resonances and their broader implications have been extensively studied within the framework of classical electrodynamics and linear response theory, a quantum optical theory capable of describing the dynamics of these structures, especially in the presence of material nonlinearities beyond ad hoc few‐mode approximations, is largely missing. To this end, we consider a lattice of metallic nanoparticles coupled to the electromagnetic field and derive the quantum input–output relations within the electric dipole approximation. As applications, we analyze coupling between the nanoparticle array and external quantum emitters, and show how the formalism extends to molecular optomechanics, where the high ‐factors of SLRs enable coupling to collective vibrational modes. We further consider arrays composed of saturable excitonic emitters, demonstrating how emitter nonlinearities can be used to switch the SLR condition between electronic transitions. Using a perturbative approach that accounts for population dynamics, we show how these effects can be probed in pump–probe experiments and give rise to nonlinear phase‐matching phenomena. Our work provides a microscopic framework for modeling SLRs interacting with quantum emitters without phenomenological descriptions of the electromagnetic environment.

molecular optomechanics↗
DOE OSTI2024

Celestial gluon amplitudes from the outside in

We show that, given a two-dimensional realization of the celestial OPE in self-dual Yang-Mills, we can find a scalar source around which scattering amplitudes replicate correlation functions computed from the 2D ‘gluon’ operators in a limit where a dynamic massless scalar decouples. We derive conditions on the two-dimensional three-point correlation function so that such a source exists and give two particular examples of this construction, one in which gluons are constructed from vertex operators in the semiclassical limit of Liouville theory and another in which the soft gluons arise from generalized free fields. Finally, we identify a bulk dual to the level of the boundary Kac-Moody algebra and discuss moving beyond the decoupling limit.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗