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DOE OSTI2024

Berkeley Lab Finite Element Framework (BELFEM) v0.1

The software program, referred to as BELFEM, is a specialized finite element code designed for the magnetodynamic modeling of high-temperature superconducting (HTS) tapes. It incorporates novel mixed finite element formulations, particularly the h-ϕ-formulation with thin-shell simplification, to efficiently simulate larger geometries. This methodology is extremely promising for predicting the electrodynamic performance of HTS tapes used in superconducting cables and magnets, offering the benefit of reduced computational cost. Compared to similar technologies like COMSOL Multiphysics and GetDP, BELFEM's performance benchmarking indicates superior efficiency in its thin-shell implementation. In the future, it will also support features like thermal coupling and inter-tape current sharing, enhancing its utility in research and development, particularly in nuclear fusion applications. The intent is to develop BELFEM as a robust and efficient tool for the HTS community, contributing to the analysis and design of superconducting cables and magnets.

Messe, Christian↗

DOE OSTI2024

Exascale-Enabled Models and Algorithms for Microelectronics Applications (MicroEleX) v1

The MicroEleX code package contains a variety of models and algorithms for physical modeling of microelectronic circuitry, including electrostatics, electrodynamics, superconducting physics, micromagnetics, multi-ferroic systems, and quantum transport. MicroEleX leverages the AMReX software framework to provide scalability on GPU-based supercomputing architectures. The code is open source and designed to be algorithmically flexible so developers can incorporate enhanced or customized physics.

Nonaka, Andy↗

DOE OSTI2023

Quantification and prediction of error in MIMO tests

Dynamic testing of systems is most realistic of real-world conditions when multiple input and multiple output (MIMO) techniques are used. To replicate measured environmental conditions, a series of desired outputs (responses) on the system must be realized by inverting the frequency response functions (FRF) matrix for input estimation. System identification is dependent on the number of inputs and outputs, which affect the type of solutions. In input estimation, the auto spectra of the determined inputs are affected by both the auto spectra and cross spectra of the desired outputs. This research evaluates errors and investigates two sources in an experimental setting. The first significant error source is test-to-test variability in FRFs from system identification tests, quantified by magnitude variability from long-duration tests. The second significant error source is the realization of time histories from frequency domain inputs. The spectral content of the realized random process deviates from the desired content and is also quantified. The structure is a linear three-story frame fixed at the base; two inputs are provided uniaxially with the use of suspended electrodynamic shakers. The proposed model for error sources was found to be effective in predicting errors in a SISO (single-input single-output) and a square (2-input 2-output) MIMO test.

Yousef, Odey↗

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 OSTI2019

Thermal emission spectroscopy for single nanoparticle temperature measurement: optical system design and calibration

Here, we report on the design of an optical system that allows measurement of 600–1650 nm emission spectra for individual nanoparticles (NPs), laser-heated in an electrodynamic trap in controlled atmospheres. A method to calibration of absolute intensity versus wavelength for very low emission intensities is discussed, and examples of NP graphite and carbon black spectra are used to illustrate the methodology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Overcoming the diffraction limit by multi-photon interference: a tutorial

The nature of light, extending from the optical to the x-ray regime, is reviewed from a diffraction point of view by comparing field-based statistical optics and photon-based quantum optics approaches. The topic is introduced by comparing historical diffraction concepts based on wave interference, Dirac’s notion of photon self-interference, Feynman’s interference of space–time photon probability amplitudes, and Glauber’s formulation of coherence functions based on photon detection. The concepts are elucidated by a review of how the semiclassical combination of the disparate photon and wave concepts have been used to describe light creation, diffraction, and detection. The origin of the fundamental diffraction limit is then discussed in both wave and photon pictures. By use of Feynman’s concept of probability amplitudes associated with independent photons, we show that quantum electrodynamics, the complete theory of light, reduces in lowest order to the conventional wave formalism of diffraction. As an introduction to multi-photon effects, we then review fundamental one- and two-photon experiments and detection schemes, in particular the seminal Hanbury Brown–Twiss experiment. The formal discourse of the paper starts with a treatment of first-order coherence theory. In first order, the statistical optics and quantum optics formulations of coherence are shown to be equivalent. This is elucidated by a discussion of Zernike’s powerful theorem of partial coherence propagation, a cornerstone of statistical optics, followed by its quantum derivation based on the interference of single-photon probability amplitudes. The treatment is then extended to second-order coherence theory, where the equivalence of wave and particle descriptions is shown to break down. This is illustrated by considering two photons whose space–time probability amplitudes are correlated through nonlinear birth processes, resulting in entanglement or cloning. In both cases, the two-photon diffraction patterns are shown to exhibit resolution below the conventional diffraction limit, defined by the one-photon diffraction patterns. The origin of the reduction is shown to arise from the interference of two-photon probability amplitudes. By comparing first- and second-order diffraction, it is shown that the conventional first-order concept of partial coherence with its limits of chaoticity and first-order coherence has the second-order analogue of partial entanglement, with its limits corresponding to two entangled photons (“entangled biphotons”) and two cloned photons (“cloned biphotons”), the latter being second-order coherent. The concept of cloned biphotons is extended to the case of $n$ cloned photons, resulting in a $1/n$ reduction of the diffraction limit. In the limit of $n$th-order collective state are shown to propagate on particle like trajectories, reproducing the 0th-order ray-optics picture. These results are discussed in terms of the linearity of quantum mechanics and Heisenberg’s space–momentum uncertainty principle. Finally, a general concept of coherence based on photon density is developed that in first order is equivalent to the conventional wave-based picture.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Plasmon enhanced Raman scattering effect for an atom near a carbon nanotube

Quantum electrodynamics theory of the resonance Raman scattering is developed for an atom in a close proximity to a carbon nanotube. The theory predicts a dramatic enhancement of the Raman intensity in the strong atomic coupling regime to nanotube plasmon near-fields. This resonance scattering is a manifestation of the general electromagnetic surface enhanced Raman scattering effect, and can be used in designing efficient nanotube based optical sensing substrates for single atom detection, precision spontaneous emission control, and manipulation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2023

Near-field imaging and spectroscopy of terahertz resonators and metasurfaces [Invited]

Terahertz (THz) metasurfaces have become a key platform for engineering light-matter interaction at THz frequencies. They have evolved from simple metallic resonator arrays into tunable and programmable devices, displaying ultrafast modulation rates and incorporating emerging quantum materials. The electrodynamics which govern metasurface operation can only be directly revealed at the scale of subwavelength individual metasurface elements, through sampling their evanescent fields. It requires near-field spectroscopy and imaging techniques to overcome the diffraction limit and provide spatial resolution down to the nanoscale. Through a series of case studies, this review provides an in-depth overview of recently developed THz near-field microscopy capabilities for research on metamaterials.

Hale, Lucy L. (ORCID:0000000176544272)↗

DOE OSTI2020

Optical matter machines: angular momentum conversion by collective modes in optically bound nanoparticle arrays

The creation of optically powered self-assembling nano-to-meso-scale machines that do work is a long-standing goal in photonics. We demonstrate an optical matter (OM) machine that converts the spin angular momentum (SAM) of light into orbital angular momentum (OAM) to do mechanical work. The specific OM machine we study is based on a sixfold symmetric hexagonally ordered nanoparticle array that operates as an OM “gear” that is assembled and made to rotate in a circularly polarized Gaussian beam. The rotational symmetry of the OM gear leads to a selection rule for the allowed scattering modes based on their angular momentum. Electrodynamics calculations show that the collective scattering modes with the largest angular momentum scatter strongly in the transverse direction. Simulations and experiments show that the angular momentum that accompanies the scattered light causes a “negative torque” response on the OM gear and drives a “probe” particle placed outside the OM gear around the gear in an asymmetric force field analogously to Brownian ratchets. The gear–probe OM machine concept can be expanded to applications in nanofluidics and particle sorting.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Disentangling x-ray dichroism and birefringence via high-purity polarimetry

High-brilliance synchrotron radiation sources have opened new avenues for x-ray polarization analysis that go far beyond conventional polarimetry in the optical domain. With linear x-ray polarizers in a crossed setting, polarization extinction ratios down to 10 -10 can be achieved. This renders the method sensitive to probe the tiniest optical anisotropies that would occur, for example, in strong-field quantum electrodynamics due to vacuum birefringence and dichroism. Here we show that high-purity polarimetry can be employed to reveal electronic anisotropies in condensed matter systems with utmost sensitivity and spectral resolution. Taking CuO and La 2 CuO 4 as benchmark systems, we present a full characterization of the polarization changes across the Cu K-absorption edge and their separation into dichroic and birefringent contributions. At diffraction-limited synchrotron radiation sources and x-ray lasers, where polarization extinction ratios of 10 -12 can be achieved, our method has the potential to assess birefringence and dichroism of the quantum vacuum in extreme electromagnetic fields.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Micro-fabricated mirrors with finesse exceeding one million

The Fabry–Perot resonator is one of the most widely used optical devices, enabling scientific and technological breakthroughs in diverse fields including cavity quantum electrodynamics, optical clocks, precision length metrology, and spectroscopy. Though resonator designs vary widely, all high-end applications benefit from mirrors with the lowest loss and highest finesse possible. Fabrication of the highest-finesse mirrors relies on centuries-old mechanical polishing techniques, which offer losses at the parts-per-million (ppm) level. However, no existing fabrication techniques are able to produce high-finesse resonators with the large range of mirror geometries needed for scalable quantum devices and next-generation compact atomic clocks. In this paper, we introduce a scalable approach to fabricate mirrors with ultrahigh finesse ( ≥ <#comment/> 10 6 ) and user-defined radius of curvature spanning of four orders of magnitude ( 10 − <#comment/> 4 − <#comment/> 10 0 m ). We employ photoresist reflow and reactive ion etching to shape and transfer mirror templates onto a substrate while maintaining sub-Angstrom roughness. This substrate is coated with a dielectric stack and used to create arrays of compact Fabry–Perot resonators with finesse values as high as 1.3 million and measured excess loss < <#comment/> 1 p p m . Optical ringdown measurements of 43 devices across five substrates reveal that the fabricated cavity mirrors—with both small and large radii of curvature—produce an average coating-limited finesse of 1.05 million. This versatile approach opens the door to scalable fabrication of high-finesse miniaturized Fabry–Perot cavities needed for emerging quantum optics and frequency metrology technologies.

42 ENGINEERING↗

DOE OSTI2025

Polaritonic quantum matter

Polaritons are quantum mechanical superpositions of photon states with elementary excitations in molecules and solids. The light–matter admixture causes a characteristic frequency-momentum dispersion shared by all polaritons irrespective of the microscopic nature of material excitations that could entail charge, spin, lattice or orbital effects. Polaritons retain the strong nonlinearities of their matter component and simultaneously inherit ray-like propagation of light. Polaritons prompt new properties, enable new opportunities for spectroscopy/imaging, empower quantum simulations and give rise to new forms of synthetic quantum matter. Here, we review the emergent effects rooted in polaritonic quasiparticles in a wide variety of their physical implementations. We present a broad portfolio of the physical platforms and phenomena of what we term polaritonic quantum matter. We discuss the unifying aspects of polaritons across different platforms and physical implementations and focus on recent developments in: polaritonic imaging, cavity electrodynamics and cavity materials engineering, topology and nonlinearities, as well as quantum polaritonics.

light–matter interaction↗

DOE OSTI2022

On Current-Squared Flows and ModMax Theories

We show that the recently introduced ModMax theory of electrodynamics and its Born-Infeld-like generalization are related by a flow equation driven by a quadratic combination of stress-energy tensors. The operator associated to this flow is a 4d 4 d analogue of the T\overline{T} T T ¯ deformation in two dimensions. This result generalizes the observation that the ordinary Born-Infeld Lagrangian is related to the free Maxwell theory by a current-squared flow. As in that case, we show that no analogous relationship holds in any other dimension besides d=4 d = 4 . We also demonstrate that the \mathcal{N}=1 𝒩 = 1 supersymmetric version of the ModMax-Born-Infeld theory obeys a related supercurrent-squared flow which is formulated directly in \mathcal{N} = 1 𝒩 = 1 superspace.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

The history of the muon (g-2) experiments

I discuss the history of the muon (g-2) ( g − 2 ) measurements, beginning with the Columbia-Nevis measurement that observed parity violation in muon decay, and also measured the muon g g -factor for the first time, finding g_\mu=2 g μ = 2 . The theoretical (Standard Model) value contains contributions from quantum electrodynamics, the strong interaction through hadronic vacuum polarization and hadronic light-by-light loops, as well as the electroweak contributions from the W W , Z Z and Higgs bosons. The subsequent experiments, first at Nevis and then with increasing precision at CERN, measured the muon anomaly a_\mu = (g_\mu-2)/2 a μ = ( g μ − 2 ) / 2 down to a precision of 7.3 parts per million (ppm). The Brookhaven National Laboratory experiment E821 increased the precision to 0.54 ppm, and observed for the first time the electroweak contributions. Interestingly, the value of a_\mu a μ measured at Brookhaven appears to be larger than the Standard Model value by greater than three standard deviations. A new experiment, Fermilab E989, aims to improve on the precision by a factor of four, to clarify whether this result is a harbinger of new physics entering through loops, or from some experimental, statistical or systematic issue.

Roberts, B. Lee↗

DOE OSTI2013

An interface tracking model for droplet electrocoalescence.

This report describes an Early Career Laboratory Directed Research and Development (LDRD) project to develop an interface tracking model for droplet electrocoalescence. Many fluid-based technologies rely on electrical fields to control the motion of droplets, e.g. microfluidic devices for high-speed droplet sorting, solution separation for chemical detectors, and purification of biodiesel fuel. Precise control over droplets is crucial to these applications. However, electric fields can induce complex and unpredictable fluid dynamics. Recent experiments (Ristenpart et al. 2009) have demonstrated that oppositely charged droplets bounce rather than coalesce in the presence of strong electric fields. A transient aqueous bridge forms between approaching drops prior to pinch-off. This observation applies to many types of fluids, but neither theory nor experiments have been able to offer a satisfactory explanation. Analytic hydrodynamic approximations for interfaces become invalid near coalescence, and therefore detailed numerical simulations are necessary. This is a computationally challenging problem that involves tracking a moving interface and solving complex multi-physics and multi-scale dynamics, which are beyond the capabilities of most state-of-the-art simulations. An interface-tracking model for electro-coalescence can provide a new perspective to a variety of applications in which interfacial physics are coupled with electrodynamics, including electro-osmosis, fabrication of microelectronics, fuel atomization, oil dehydration, nuclear waste reprocessing and solution separation for chemical detectors. We present a conformal decomposition finite element (CDFEM) interface-tracking method for the electrohydrodynamics of two-phase flow to demonstrate electro-coalescence. CDFEM is a sharp interface method that decomposes elements along fluid-fluid boundaries and uses a level set function to represent the interface.

Erickson, Lindsay Crowl↗

DOE OSTI2014

Computational Nanophotonics: modeling optical interactions and transport in tailored nanosystem architectures

This report describes research by George Schatz and Mark Ratner that was done over the period 10/03-5/09 at Northwestern University. This research project was part of a larger research project with the same title led by Stephen Gray at Argonne. A significant amount of our work involved collaborations with Gray, and there were many joint publications as summarized later. In addition, a lot of this work involved collaborations with experimental groups at Northwestern, Argonne, and elsewhere. The research was primarily concerned with developing theory and computational methods that can be used to describe the interaction of light with noble metal nanoparticles (especially silver) that are capable of plasmon excitation. Classical electrodynamics provides a powerful approach for performing these studies, so much of this research project involved the development of methods for solving Maxwell’s equations, including both linear and nonlinear effects, and examining a wide range of nanostructures, including particles, particle arrays, metal films, films with holes, and combinations of metal nanostructures with polymers and other dielectrics. In addition, our work broke new ground in the development of quantum mechanical methods to describe plasmonic effects based on the use of time dependent density functional theory, and we developed new theory concerned with the coupling of plasmons to electrical transport in molecular wire structures. Applications of our technology were aimed at the development of plasmonic devices as components of optoelectronic circuits, plasmons for spectroscopy applications, and plasmons for energy-related applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Harnessing Relativistic Laser Plasmas to Generate Intense Ion Beams: A Plasma Science Frontier White Paper

Optical lasers with high intensity (> 10 19 W/cm 2 ), high power (> 100 TW) and high energy (> 50 J) are enabling research that is expanding the frontiers of physics. Some of the research opportunities and importance are described in several reports. Here we highlight a prominent one: harnessing relativistic laser plasmas to generate intense ion beams, much more intense than it is possible with conventional particle-acceleration technology. This topic is important in two ways. On the one hand, it represents exceedingly exciting science in plasma physics and extreme electrodynamics (i.e., “high-field” physics). On the other hand, it enables advanced technology for advancing other fields of science, for societal applications (e.g., fast ignition8) and for national defense. There are tremendous opportunities for continued progress in existing laser facilities in the US (with laser intensities up to ~ 10 21 W/cm 2 , such as the Trident Laser Facility) provided modest funding support and reorientation of these lasers as national user facilities. Longer term, there are also great scientific opportunities for the US by extending our capabilities to intensities of ~ 10 22 W/cm 2 and beyond with shaped laser pulses of intermediate duration (~ 100 fs), to complement high intensity, shorter pulse length lasers planned worldwide. Such a complementary US facility would in fact excel in the ion-beam generation mission proposed here. At ~ 10 22 W/cm 2 and beyond, besides meeting the requirements for important societal applications of intense ion beams, novel high-field physics becomes important and amenable to study. That includes e.g., radiation self-force for electrons, and direct coupling of the laser to the ions (not just to electrons and then indirectly to the ions). These new physics in turn may open new technological opportunities, such as x-ray and gamma-ray-beam sources and new ion-acceleration mechanisms. It is hard to overstate the impact of particle accelerators starting in the last century to the present. Accelerators have had profound impact in society, both as a key enabling experimental tool for the modern scientific edifice, as well as for societal applications such as cancer therapy. Conventional accelerator technology is bumping against two main limitations. One is particle energy (at a reasonable size and cost) rooted in the ~ 25 MeV/m gradient limit from electrical breakdown of conventional accelerator structures. The second is beam intensity, limited by current and space-charge stability of conventional (non-neutral) particle beams. The former issue is being addressed in ingenious ways by “dielectric accelerators” which use high-power, low-energy lasers to set up transient-high fields in dielectric microstructures. These devices promise to advance the state of the art in acceleration gradients, but of course cannot address the intensity limitations. Ultimately, the highest performance is going to require a plasma as the acceleration medium. Plasmas can support the highest accelerating potential gradients and the highest currents. Moreover, by delivering neutralized beams (ions co-moving with unbound electrons), the usual current and space-charge limits can be circumvented. Realizing the highest ion energies and intensities requires a high-power density source to drive the system. Intense, high-power, high-energy lasers represent an ideal drive source, provided the physics can be understood and controlled, i.e., a challenge proposed here. To meet that challenge, the science community can build on the significant progress over the last decade, experimentally, computationally and theoretically.

43 PARTICLE ACCELERATORS↗

DOE OSTI2016

The Dynamics and Thermodynamics of Gaseous Molecule-Ions. Final report

The overall objectives of this research effort were to expand the capabilities of spectroscopic and ion chemistry tools for the structural characterization of polyatomic ions of relevance to the broad mission of the Department of Energy. Mass spectrometry currently plays an important role in virtually all of the molecular sciences by virtue of the value of the accurate measurement of mass and the structural information that can be derived from various structural probes based on, for example, ion chemistry, ion mobility, and ion spectroscopy. Mass spectrometry has long played important roles in supporting the missions of the Department of Energy and its predecessor agencies, particularly in the area of isotopic analysis of nuclides. Molecular mass spectrometry has played increasingly important roles is many aspects of the production and use of energy as the nation has diversified its energy portfolio. There is an ongoing need for the expansion of the measurement capabilities associated with molecular mass spectrometry that involves both technological developments as well as improved understanding of the chemical and physical processes that take place upon ionization and ion analysis in a mass spectrometer. Advances in mass spectrometry have impacted science broadly and further advances will be required to meet the needs of current energy and environmental research. This program has historically focused on the structural characterization of polyatomic ions, usually within the context of a tandem mass spectrometry experiment. A wide variety of physical and chemical processes can take place within a mass spectrometer and advantage can be taken of such processes to enhance the quality and quantity of information that can be derived for a given chemical system of interest. For example, ions can undergo interactions with neutral molecules/atoms, light, surfaces, electrons, or oppositely charged ions. The outcomes of all such interactions can be sensitive to the structures of the ions and are therefore candidates for probes of ion structure. This program has historically focused on the chemistry and physics associated with ion/neutral interactions at both low and high translational energies, and ion/ion reactions. The former area has involved the study of ion/molecule reactions at thermal energies and the extensive study of collisional activation under a wide variety of conditions. A major area of emphasis has been collisional activation in electrodynamic ion traps. The study of gas-phase ion/ion reactions within the context of tandem mass spectrometry was initiated in this program and has grown to be a major research area in this group. Most of the focus in ion/ion chemistry has been on proton transfer and electron transfer reactions and some of the work in the previous budget period was directed, in particular, to fundamental aspects of electron transfer. Recently, the discovery of selective covalent ion/ion reactions has opened up new vistas for research that will expand significantly the capabilities of tandem mass spectrometry for the structural characterization of polyatomic ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗