Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Computational electrodynamics”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Peculiarities of the formation of photonic nanojets by a matrix of dielectric microtoroids

We report the results of theoretical modelling of photonic nanojets (PNJs) formed by laser radiation scattering on a single-layer ordered assembly of dielectric microtoroids placed on the surface of a transparent matrix (silicone film). Using the method of computational electrodynamics (FDTD), the main PNJ parameters (length, width, peak intensity) are analysed under the conditions of mutual influence of the light fields of neighbouring microparticles. It is shown that the main factor affecting the PNJ characteristics under study is the spatial configuration of the radiation-scattering particle, namely, the internal diameter of its cross section. It is found that for certain configurations of toroid placement in a cluster, a PNJ ensemble is implemented with parameters significantly better than those for a single toroid. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Surface-enhanced stimulated Raman spectroscopy with squeezed photonic states

Recent advances in generating light in specific quantum states facilitate new sensing applications and enhance or revitalize established measurement and sensing techniques. Stimulated Raman spectroscopy (SRS), a measurement modality based on Raman scattering, could benefit from tuning the quantum properties of the pump and the Stokes lights or the properties of quantum states of the stimulating and excitation fields. Additionally, this modality could also benefit from field enhancement accompanied by plasmon excitation in the surface regions of metal nanoparticles. We present a theoretical investigation of stimulated Raman scattering involving squeezed states of light. The concept of surface- and quantum-enhanced stimulated Raman scattering is introduced. Furthermore, expressions for the respective SRS transition rates are derived, and their dependence on the quantum states of the optical field is discussed, with particular emphasis on the squeezing parameters characterizing these states. For cases involving surface enhancements, we also employ classical computational electrodynamics to guide our exploration of atomically large systems that support plasmon excitation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Conservative Binary Dynamics at Order 𝛼 5 in Electrodynamics

We compute the potential-photon contributions to the classical relativistic scattering angle of two charged nonspinning bodies in electrodynamics through fifth order in the coupling. We use the scattering amplitudes framework, effective field theory, and multiloop integration techniques based on integration by parts and differential equations. At fifth order, the result is expressed in terms of cyclotomic polylogarithms. Our calculation demonstrates the feasibility of the corresponding calculations in general relativity, including the evaluation of the encountered four-loop integrals.

classical electromagnetism↗
DOE OSTI2024

Physics-constrained machine learning for electrodynamics without gauge ambiguity based on Fourier transformed Maxwell’s equations

We utilize a Fourier transformation-based representation of Maxwell’s equations to develop physics-constrained neural networks for electrodynamics without gauge ambiguity, which we label the Fourier–Helmholtz–Maxwell neural operator method. In this approach, both of Gauss’s laws and Faraday’s law are built in as hard constraints, as well as the longitudinal component of Ampère–Maxwell in Fourier space, assuming the continuity equation. An encoder–decoder network acts as a solution operator for the transverse components of the Fourier transformed vector potential, $\hat{A}_⟂(k,t)$, whose two degrees of freedom are used to predict the electromagnetic fields. This method was tested on two electron beam simulations. Among the models investigated, it was found that a U-Net architecture exhibited the best performance as it trained quicker, was more accurate and generalized better than the other architectures examined. We demonstrate that our approach is useful for solving Maxwell’s equations for the electromagnetic fields generated by intense relativistic charged particle beams and that it generalizes well to unseen test data, while being orders of magnitude quicker than conventional simulations. We show that the model can be re-trained to make highly accurate predictions in as few as 20 epochs on a previously unseen data set.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Exploiting universal nonlocal dispersion in optically active materials for spectro-polarimetric computational imaging

Recent years have seen significant advancements in exploring novel light-matter interactions such as hyperbolic dispersion within natural crystals. However, current studies have predominantly concentrated on local optical response of materials characterized by a dielectric tensor without spatial dispersion. Here, we investigate the nonlocal response in optically-active crystals with screw symmetries, revealing their lossless, super-dispersive properties compared to traditional optical response functions. We leverage this universal nonlocal dispersion, i.e. the dispersion of optical rotatory power, to explore a novel spectral de-multiplexing scheme compared to conventional gratings, prisms and metasurfaces. We design and demonstrate an ‘Nonlocal-Cam’ - a camera that exploits nonlocal dispersion through sampling of polarized spectral states and the application of computational spectral reconstruction algorithms. The Nonlocal-Cam captures information in both laboratory and outdoor field experiments which is unavailable to traditional intensity cameras - the spectral texture of polarization. Merging the fields of nonlocal electrodynamics and computational imaging, our work paves the way for exploiting nonlocal optics of optically active materials in a variety of applications, from biological microscopy to physics-driven machine vision and remote sensing.

Wang, Xueji [Purdue Univ., West Lafayette, IN (Uni↗
DOE OSTI2022

Polariton enhanced free charge carrier generation in donor–acceptor cavity systems by a second-hybridization mechanism

Cavity quantum electrodynamics has been studied as a potential approach to modify free charge carrier generation in donor–acceptor heterojunctions because of the delocalization and controllable energy level properties of hybridized light–matter states known as polaritons. However, in many experimental systems, cavity coupling decreases charge separation. In this work, we theoretically study the quantum dynamics of a coherent and dissipative donor–acceptor cavity system, to investigate the dynamical mechanism and further discover the conditions under which polaritons may enhance free charge carrier generation. We use open quantum system methods based on single-pulse pumping to find that polaritons have the potential to connect excitonic states and charge separated states, further enhancing free charge generation on an ultrafast timescale of several hundred femtoseconds. The mechanism involves polaritons with optimal energy levels that allow the exciton to overcome the high Coulomb barrier induced by electron–hole attraction. Moreover, we propose that a second-hybridization between a polariton state and dark states with similar energy enables the formation of the hybrid charge separated states that are optically active. These two mechanisms lead to a maximum of 50% enhancement of free charge carrier generation on a short timescale. However, our simulation reveals that on the longer timescale of picoseconds, internal conversion and cavity loss dominate and suppress free charge carrier generation, reproducing the experimental results. Thus, our work shows that polaritons can affect the charge separation mechanism and promote free charge carrier generation efficiency, but predominantly on a short timescale after photoexcitation.

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

Computational general relativistic force-free electrodynamics: I. Multi-coordinate implementation and testing

General relativistic force-free electrodynamics is one possible plasma-limit employed to analyze energetic outflows in which strong magnetic fields are dominant over all inertial phenomena. The amazing images of black hole (BH) shadows from the Galactic Center and the M87 galaxy provide a first direct glimpse into the physics of accretion flows in the most extreme environments of the universe. The efficient extraction of energy in the form of collimated outflows or jets from a rotating BH is directly linked to the topology of the surrounding magnetic field. We aim at providing a tool to numerically model the dynamics of such fields in magnetospheres around compact objects, such as BHs and neutron stars. To do so, we probe their role in the formation of high energy phenomena such as magnetar flares and the highly variable teraelectronvolt emission of some active galactic nuclei. In this work, we present numerical strategies capable of modeling fully dynamical force-free magnetospheres of compact astrophysical objects. Here, we provide implementation details and extensive testing of our implementation of general relativistic force-free electrodynamics in Cartesian and spherical coordinates using the infrastructure of the E INSTEIN T OOLKIT . The employed hyperbolic/parabolic cleaning of numerical errors with full general relativistic compatibility allows for fast advection of numerical errors in dynamical spacetimes. Such fast advection of divergence errors significantly improves the stability of the general relativistic force-free electrodynamics modeling of BH magnetospheres.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Computational general relativistic force-free electrodynamics: II. Characterization of numerical diffusivity

Scientific codes are an indispensable link between theory and experiment; in (astro-)plasma physics, such numerical tools are one window into the universe’s most extreme flows of energy. The discretization of Maxwell’s equations – needed to make highly magnetized (astro)physical plasma amenable to its numerical modeling – introduces numerical diffusion. It acts as a source of dissipation independent of the system’s physical constituents. Understanding the numerical diffusion of scientific codes is the key to classifying their reliability. It gives specific limits in which the results of numerical experiments are physical. We aim at quantifying and characterizing the numerical diffusion properties of our recently developed numerical tool for the simulation of general relativistic force-free electrodynamics by calibrating and comparing it with other strategies found in the literature. Our code correctly models smooth waves of highly magnetized plasma. We evaluate the limits of general relativistic force-free electrodynamics in the context of current sheets and tearing mode instabilities. We identify that the current parallel to the magnetic field (j ∥ ), in combination with the breakdown of general relativistic force-free electrodynamics across current sheets, impairs the physical modeling of resistive instabilities. We find that at least eight numerical cells per characteristic size of interest (e.g., the wavelength in plasma waves or the transverse width of a current sheet) are needed to find consistency between resistivity of numerical and of physical origins. High-order discretization of the force-free current allows us to provide almost ideal orders of convergence for (smooth) plasma wave dynamics. The physical modeling of resistive layers requires suitable current prescriptions or a sub-grid modeling for the evolution of j ∥ .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Digital quantum simulation of cavity quantum electrodynamics: insights from superconducting and trapped ion quantum testbeds

We explore the potential for hybrid development of quantum hardware where currently available quantum computers simulate open cavity quantum electrodynamical (CQED) systems for applications in optical quantum communication, simulation and computing. Our simulations make use of a recent quantum algorithm that maps the dynamics of a singly excited open Tavis–Cummings model containing N atoms coupled to a lossy cavity. We report the results of executing this algorithm on two noisy intermediate-scale quantum computers: a superconducting processor and a trapped ion processor, to simulate the population dynamics of an open CQED system featuring N = 3 atoms. By applying technology-specific transpilation and error mitigation techniques, we minimize the impact of gate errors, noise, and decoherence in each hardware platform, obtaining results which agree closely with the exact solution of the system. These results can be used as a recipe for efficient and platform-specific quantum simulation of cavity–emitter systems on contemporary and future quantum computers.

cavity QED↗
DOE OSTI2025

Mathematical Foundation for Quantum Computing of Electromagnetic Wave Propagation in Dielectric Media

Can quantum computers effectively simulate the propagation and scattering of electromagnetic waves in a classical plasma? This chapter introduces some of the basic concepts in mathematics and physics essential to answering that question. The numerical simulations of Maxwell equations for wave propagation in dielectrics are constrained by technological limitations of the present-day computers. In contrast, there has been ample fanfare around quantum computers and their potential to far exceed the performance of traditional computers. Whether the enhanced capabilities of a quantum computer can be put to use for simulating topics in classical physics is a source of intrigue and curiosity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Efficient use of quantum computers for collider physics

Most observables at particle colliders involve physics at a wide variety of distance scales. Due to asymptotic freedom of the strong interaction, the physics at short distances can be calculated reliably using perturbative techniques, while long distance physics is non-perturbative in nature. Factorization theorems separate the contributions from different scales, allowing to identify the pieces that can be determined perturbatively from those that require non-perturbative information, and if the non-perturbative pieces can be reliably determined, one can use experimental measurements to extract the short distance effects, sensitive to possible new physics. Without the ability to compute the non-perturbative ingredients from first principles one typically identifies observables for which the non-perturbative information is universal in the sense that it can be extracted from some experimental observables and then used to predict other observables. In this paper we argue that the future ability to use quantum computers to calculate non-perturbative matrix elements from first principles will allow to make predictions for observables with non-universal non-perturbative long-distance physics.

Algorithms and Theoretical Developments↗
DOE OSTI2021

Coupled Charge and Radiation Transport Processes in Thermophotovoltaic and Thermoradiative Cells

Accurate modeling of charge transport and both thermal and luminescent radiation is crucial to the understanding and design of radiative thermal energy converters. Charge-carrier dynamics in semiconductors are well-described by the Poisson-drift-diffusion equations, and thermal radiation in emitter-absorber structures can be computed using multilayer fluctuational electrodynamics. These two types of energy flows interact through radiation absorption or luminescence and charge-carrier generation or recombination. However, past research has typically only assumed limited interaction, with thermal radiation absorption as an input for charge-carrier models to predict device performance. To examine this assumption, we develop a fully coupled iterative model of charge and radiation transport in semiconductor devices, and we use our model to analyze near-field and far-field GaSb thermophotovoltaic and thermoradiative systems. By comparing our results with past methods that do not consider cross-influences between charge and radiation transport, we find that a fully coupled approach is necessary to accurately model photon recycling and near-field enhancement of external luminescence. As these effects can substantially alter device performance, our modeling approach can aid in the design of efficient thermophotovoltaic and thermoradiative systems.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Toward simulating quantum field theories with controlled phonon-ion dynamics: A hybrid analog-digital approach

Quantum field theories are the cornerstones of modern physics, providing relativistic and quantum mechanical descriptions of physical systems at the most fundamental level. Simulating real-time dynamics within these theories remains elusive in classical computing. This provides a unique opportunity for quantum simulators, which hold the promise of revolutionizing our simulation capabilities. Trapped-ion systems are successful quantum-simulator platforms for quantum many-body physics and can operate in digital, or gate-based, and analog modes. Inspired by the progress in proposing and realizing quantum simulations of a number of relativistic quantum field theories using trapped-ion systems, and by the hybrid analog-digital proposals for simulating interacting boson-fermion models, we propose hybrid analog-digital quantum simulations of selected quantum field theories, taking recent developments to the next level. On one hand, the semi-digital nature of this proposal offers more flexibility in engineering generic model interactions compared with a fully-analog approach. On the other hand, encoding the bosonic fields onto the phonon degrees of freedom of the trapped-ion system allows a more efficient usage of simulator resources, and a more natural implementation of intrinsic quantum operations in such platforms. This opens up new ways for simulating complex dynamics of e.g., Abelian and non-Abelian gauge theories, by combining the benefits of digital and analog schemes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Flux-based three-dimensional electrodynamic modeling approach to superconducting circuits and materials

Modeling the behavior of superconducting electronic circuits containing Josephson junctions is crucial for the design of superconducting information processors and devices. In this paper, we introduce DEC-QED, a computational approach for modeling the electrodynamics of superconducting electronic circuits containing Josephson junctions in arbitrary three-dimensional electromagnetic environments. DEC-QED captures the nonlinear response and induced currents in BCS superconductors and accurately captures phenomena such as the Meissner effect, flux quantization, and Josephson effects. Using a spatial coarse-graining formulation based on discrete exterior calculus (DEC), DEC-QED can accurately simulate transient and long-time dynamics in superconductors. Finally, the expression of the entire electrodynamic problem in terms of the gauge-invariant flux field and charges makes the resulting classical field theory suitable for second quantization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Chirality manipulation of ultrafast phase switches in a correlated CDW-Weyl semimetal

Light engineering of correlated states in topological materials provides a new avenue of achieving exotic topological phases inaccessible by conventional tuning methods. Here we demonstrate a light control of correlation gaps in a model charge-density-wave (CDW) and polaron insulator (TaSe 4 ) 2 I recently predicted to be an axion insulator. Our ultrafast terahertz photocurrent spectroscopy reveals a two-step, non-thermal melting of polarons and electronic CDW gap via the fluence dependence of a longitudinal circular photogalvanic current. This helicity-dependent photocurrent reveals continuous ultrafast phase switches from the polaronic state to the CDW (axion) phase, and finally to a hidden Weyl phase as the pump fluence increases. Additional distinctive attributes aligning with the light-induced switches include: the mode-selective coupling of coherent phonons to the polaron and CDW modulation, and the emergence of a non-thermal chiral photocurrent above the pump threshold of CDW-related phonons. The demonstrated ultrafast chirality control of correlated topological states here holds large potentials for realizing axion electrodynamics and advancing quantum-computing applications.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Ionization potential of radium monofluoride

The ionization potential (IP) of radium monofluoride (RaF) was measured to be 4.969(2)[10] eV, revealing a relativistic enhancement in the series of alkaline earth monofluorides. The results are in agreement with a relativistic coupled-cluster prediction of 4.981(7) eV, incorporating up to quantum electrodynamics corrections. Using the same computational methodology, an improved calculation for the dissociation energy (𝐷 0 ) of 5.54(5) eV is presented. This confirms that RaF joins the group of diatomic molecules for which 𝐷 0 > IP, paving the way for precision control and interrogation of its Rydberg states.

Wilkins, S. G. [Massachusetts Inst. of Technology ↗