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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Scaling functions for eigenstate entanglement crossovers in harmonic lattices

For quantum matter, eigenstate entanglement entropies obey an area law or log-area law at low energies and small subsystem sizes and cross over to volume laws for high energies and large subsystems. This transition is captured by crossover functions, which assume a universal scaling form in quantum critical regimes. We demonstrate this for the harmonic lattice model, which describes quantized lattice vibrations and is a regularization for free scalar field theories, modeling, e.g., spin-0 bosonic particles. In one dimension, the ground-state entanglement obeys a log-area law. For dimensions d ≥ 2, it displays area laws, even at criticality. The distribution of excited-state entanglement entropies is found to be sharply peaked around subsystem entropies of corresponding thermodynamic ensembles in accordance with the eigenstate thermalization hypothesis. Numerically, we determine crossover scaling functions for the quantum critical regime of the model and do a large-deviation analysis. We show how infrared singularities of the system can be handled and how to access the thermodynamic limit using a perturbative trick for the covariance matrix. Eigenstates for quasi-free bosonic systems are not Gaussian. Here, we resolve this problem by considering appropriate squeezed states instead. For these, entanglement entropies can be evaluated efficiently.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Optical high-order harmonic generation as a structural characterization tool

Structural characterization is essential to material engineering, but few tools can detect structural properties in the time domain. High harmonic generation (HHG) emerges as a new frontier that touches the heart of condensed-matter physics from the symmetry to quantum geometrical nature of electrons, but its capability in structural characterization has not been materialized. Here, we establish a crucial connection between the symmetry of a material and the helicity of light. We employ monolayer MoS 2 as an example. In this work, we show that a linearly polarized laser pulse used in experiments is not ideal for structural characterization because it only generates in-plane anisotropy. It is the circularly polarized laser field that is capable of producing four distinctive HHG signals from the four phases of MoS 2 . This finally links the laser helicity to the crystal structure. The results are generic and are not affected by the Berry curvature, the interband or intraband contribution. Our study unleashes the power of HHG as a structural characterization tool for technologically important materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Ferrorotational domain walls revealed by electric quadrupole second harmonic generation microscopy

Domain walls are ubiquitous in materials that undergo phase transitions driven by spontaneous symmetry breaking. Domain walls in ferroics and multiferroics have received tremendous attention recently due to their emergent properties distinct from their domain counterparts—for example, their high mobility and controllability, as well as their potential applications in nanoelectronics. However, it is extremely challenging to detect, visualize, and study the ferrorotational (FR) domain walls because the FR order, in contrast to ferromagnetism and ferroelectricity, is invariant under both the spatial-inversion and the time-reversal operations and, thus, hardly couple with conventional experimental probes. Here, a FR candidate NiTi⁢O 3 is investigated by ultrasensitive electric quadrupole (EQ) second-harmonic generation rotational anisotropy (SHG RA) to probe the point symmetries of the two degenerate FR domain states, showing their relation by the vertical mirror operations that are broken below the FR critical temperature. We then visualize the real-space FR domains by scanning EQ SHG microscopy, and further, resolve the FR domain walls by revealing a suppressed SHG intensity at the domain walls. By taking local EQ SHG RA measurements, we show the restoration of the mirror symmetry at FR domain walls and prove their unconventional nonpolar nature. In conclusion, our findings not only provide a comprehensive insight into FR domain walls, but also demonstrate a unique and powerful tool for future studies on domain walls of unconventional ferroics both of which pave the way towards future manipulations and applications of FR domain walls.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Second harmonic generation in topological insulators under quantizing magnetic fields

We theoretically investigate the second harmonic generation (SHG) of topological insulator surface states in a perpendicular magnetic field. Our theory is based on the microscopic expression of the second-order magneto-optical conductivity developed from the density matrix formalism, taking into account hexagonal warping effects on the surface states' band structure. Using numerically exact Landau-level energies and wave functions including hexagonal warping, we calculate the spectrum of SHG conductivities under normal incidence for different values of magnetic field and chemical potential. The imaginary parts of the SHG conductivities show prominent resonant peaks corresponding to one-photon and two-photon inter-Landau-level transitions. Treating the hexagonal warping term perturbatively, these transitions are clarified analytically within a perturbation theory from which approximate selection rules for the allowable optical transitions for SHG are determined. Furthermore, our results show extremely high SHG susceptibility that is easily tunable by magnetic field and doping level for topological surface states in the far-infrared regime, exceeding that of many conventional nonlinear materials. This work highlights the key role of hexagonal warping effects in generating second-order optical responses and provides insights into the nonlinear magneto-optical properties of the topological insulators.

Landau levels↗
DOE OSTI2023

Measurements of second-harmonic Fourier coefficients from azimuthal anisotropies in p + p , p + Au , d + Au , and He 3 + Au collisions at s N N = 200 GeV

Recently, the PHENIX Collaboration has published second- and third-harmonic Fourier coefficients v 2 and v 3 for midrapidity (|η|< 0.35 ) charged hadrons in 0%–5% central p+Au, d+Au, and 3 He+Au collisions at $\sqrt{s_{NN}}$= 200 GeV, utilizing three sets of two-particle correlations for two detector combinations with different pseudorapidity acceptance [Acharya et al., Phys. Rev. C 105, 024901 (2022)]. Here, this paper extends these measurements of v 2 to all centralities in p+Au, d+Au, and 3 He+Au collisions, as well as p+p collisions, as a function of transverse momentum (p T ) and event multiplicity. The kinematic dependence of v 2 is quantified as the ratio R of v 2 between the two detector combinations as a function of event multiplicity for 0.5 < p T <1 and 2 T < 2.5 GeV/c. A multiphase-transport (AMPT) model can reproduce the observed v 2 in most-central to midcentral d Au and 3 He+Au collisions. However, the AMPT model systematically overestimates the measurements in p+p, p+Au, and peripheral d+Au and 3 He+Au collisions, indicating a higher nonflow contribution in the AMPT model than in the experimental data. The AMPT model fails to describe the observed R for 0.5 < p T < 1 GeV/c , but there is qualitative agreement with the measurements for 2 < p T < 2.5 GeV/c.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Binding kinetics of harmonically confined random walkers

Diffusion-mediated binding of molecules under the influence of discrete spatially confining potentials is a commonly encountered scenario in systems subjected to explicit fields or implicit fields arising from tethering restraints. Here, in this work, we derive analytical expressions for the mean binding time of two random walkers geometrically confined by means of two harmonic potentials in one- and two-dimensional systems, which show excellent agreement with Brownian dynamics simulations. As a demonstration of its utility, we use this theory to maximize the communication speed in existing DNA walkers, obtaining quantitative agreement with previously reported experimental findings. The analytical expressions derived in this paper are broadly applicable to diverse systems, providing ways to characterize communication processes and optimize the rate of signal propagation for sensing and computing applications at the nanoscale.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Harmonic Generation and Inverse Cascade in the z-Pinch Driven, Preseeded Multimode, Magneto-Rayleigh-Taylor Instability

We report the magneto-Rayleigh-Taylor instability (MRTI) plays an essential role in astrophysical systems and in magneto-inertial fusion, where it is known to be an important degradation mechanism of confinement and target performance. In this Letter, we show for the first time experimental evidence of mode mixing and the onset of an inverse-cascade process resulting from the nonlinear coupling of two discrete preseeded axial modes (400- and 550 - μm wavelengths) on an Al liner that is magnetically imploded using the 20-MA, 100-ns rise-time Z Machine at Sandia National Laboratories. Four radiographs captured the temporal evolution of the MRTI. We introduce a novel unfold technique to analyze the experimental radiographs and compare the results to simulations and to a weakly nonlinear model. We find good quantitative agreement with simulations using the radiation magnetohydrodynamics code hydra. Spectral analysis of the MRTI time evolution obtained from the simulations shows evidence of harmonic generation, mode coupling, and the onset of an inverse-cascade process. The experiments provide a benchmark for future work on the MRTI and motivate the development of new analytical theories to better understand this instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Higher Harmonics in Multipactor Induced Plasma Ionization Breakdown near a Dielectric Surface

In this Letter, the novel physics of higher harmonic (HH) generation of the normal electric field near a dielectric surface is reported in multipactor induced plasma ionization breakdown, as determined by kinetic particle-in-cell simulations. The observed HH frequency is around ten times the fundamental rf driving frequency, but lower than the electron plasma frequency. A theory is constructed which indicates that stream plasma interaction-induced instability is the mechanism of HH generation in the collisional regime. The HH frequency and its corresponding growth rate of the HH oscillation amplitude from the theory are in good agreement with kinetic particle-in-cell simulations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Second-harmonic and linear spectroscopy of $\textit{α}$-In 2 Se 3

We report spectroscopic measurements of optical transmission, ellipsometry, and second-harmonic generation (SHG) from as-grown vapor-deposited $\textit{α}$-In 2 Se 3 nanoflakes ranging in thickness from a single quintuple layer (QL) to bulk material. In this work, we compare these measurements with ab initio calculations of structural and optical properties. Linear optical measurements yield thickness-dependent band gaps and dielectric functions, while SHG diagnoses microscopic film structure and ferroelectric polarization. The rotational anisotropy of SHG for s-polarized incident photons of energy 1.4 eV reveals crystalline symmetry and orientation of individual QLs. Peak SHG intensity increases from one to three QLs, then decreases for larger numbers, tracking thickness-dependent trends in the second-order susceptibility components $χ^{xxx}$ and $χ^{zxx}$. Comparison of measured and calculated SHG spectra for s-polarized photons of energies between 1.2 and 1.7 eV incident upon two QL samples discriminates among candidate stacking arrangements, and favors an arrangement with electric polarization vectors of the two QLs pointing outward in opposite directions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Stability of PT and anti- PT -symmetric Hamiltonians with multiple harmonics

Hermitian Hamiltonians with time-periodic coefficients can be analyzed via Floquet theory, and have been extensively used for engineering Floquet Hamiltonians in standard quantum simulators. Generalized to non-Hermitian Hamiltonians, time periodicity offers avenues to engineer the landscape of Floquet quasienergies across the complex plane. We investigate two-level non-Hermitian PT and anti- PT -symmetric Hamiltonians with coefficients that have multiple harmonics using Floquet theory. By analytical and numerical calculations, we obtain their regions of stability, defined by real Floquet quasienergies, and contours of exceptional point (EP) degeneracies. We extend our analysis to study the phases that accompany these cyclic changes with the biorthogonality approach. Our results demonstrate that these time-periodic Hamiltonians generate a rich landscape of stable (real) and unstable (complex) regions. Published by the American Physical Society 2024

Cen, Julia (ORCID:0000000299353943)↗
DOE OSTI2025

Second harmonic Bessel-Gauss beam shaping with elliptic axicon aberrations

The second harmonic (SH) of an axicon generated Bessel-Gauss beam is created through the nonlinear interaction of photons with a crystal, resulting in the energy doubling of the output photons. In this work, we show experimentally that in addition to frequency doubling, the SH of Bessel-Gauss beams under asymmetric aberrations from an elliptic axicon exhibit intriguing beam formation. Particularly, the central region of the SH beam profile is composed of two central spots of various geometries surrounded by nested ellipses; one of which is the configuration of two central gamma dots with similar radius knotted by nested ellipses for a zeroth-order Bessel-Gauss pump. These SH beams consistently maintain their spatial profile throughout propagation, reminiscing the behavior of screw dislocations in wave patterns. Our numerical simulations produce beam dynamics consistent with that of experiments and further implicate the remarkable interweaving of bright spots with dark vortices. This is especially noticeable when the beams dynamically oscillate along the optical axis, resulting in the genesis of spatially polarized beams with a knotted framework. The insights gained from our study establish a novel paradigm for exploring interactions of Bessel-like beams with vortex dynamics. This, in turn, has the potential to spark innovations in optical applications, fostering new methodologies to harness and manipulate complex light structures. Our experimental findings could spur new methods of generating logical states of light and new opportunities for material processing control. Published by the American Physical Society 2025

Wang, Tianhong (ORCID:0000000169104201)↗
DOE OSTI2024

A Third Harmonic Voltage Injection Technique to Improve The Power Transmission Capacity

To facilitate the growing deployment of renewable energy sources and increasing load demand, it is imperative to increase the power transmission capacity of the existing transmission corridors. The available power uprating techniques are either costly, or require significant alteration to the existing system. Moreover, most of these techniques are suitable for long transmission lines. In light of these limitations, a third harmonic voltage injection based power uprating technique is proposed in this article. The proposed technique is economic, immune to line impedance unbalance, and is applicable for any length of transmission line. Most importantly, the technique needs very minimal modification in the existing system at the substation level. The efficacy of the proposed technique is validated through simulation and experiments.

Das, Anubrata↗
DOE OSTI2022

On Harmonizing Today’s Regulated Tariffs and Future Dynamic Electricity Pricing

A novel method for harmonizing the advantages of dynamic retail electricity pricing with the protections of regulated electricity tariffs is discussed and demonstrated. The method socializes and protects customers from long-term locational price variability that is unfair to those customers who are, by no fault of their own, served at congested locations on a distribution system. However, the method preserves short-term (e.g., diurnal) price variability that might induce helpful, mitigative responses from retail electricity customers. Because the method causes actual price recovery to track a customer class’s approved, regulated price recovery, the method may remove regulators’ objections to dynamic electricity pricing and thereby hasten adoption of market-based retail electricity pricing and transactive energy systems.

Consumer protection, Demand response, Market resea↗
DOE OSTI2022

Multilevel Switched-Capacitor AC–DC Step-Down Rectifier for Wireless Charging With Reduced Conduction Loss and Harmonic Content

In this paper, a wireless charging architecture employing a multilevel switched-capacitor (MSC) AC-DC rectifier is investigated. The proposed MSC rectifier features a multilevel design which is scalable to accommodate different power ratings and load ranges. The topology showcases advantages for wireless power transfer (WPT) systems in terms of compactness, efficiency, impedance tunability, and harmonic attenuation. The single-stage active topology is capable of varying its low-distortion staircase input voltage to tune the wireless power transfer system for high system-wide efficiency. A 7-level, 20 W prototype is used to verify the WPT loading and loss analysis. The prototype operates at 150 kHz with up to 3:1 step-down conversion ratio to an output voltage of 5.0 V. The experimental peak DC-to-DC efficiency is 93.8% and the rectifier peak efficiency is 98.3%. As a result. the rectifier demonstrates low waveform distortion and high efficiency across many WPT loading conditions, solidifying its place as a strong candidate for wireless power applications.

42 ENGINEERING↗
DOE OSTI2023

Global harmonization of immediate‐release solid oral drug product bioequivalence recommendations and the impact on generic drug development

Immediate-release (IR) solid oral drug products constitute a significant portion of approved drug products and products under development. Bioequivalence (BE) assessment for these oral products is important for establishing therapeutic equivalence for generic products to their respective comparator products. In December 2022, the International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use (ICH) published the first new draft guideline on BE for IR solid oral dosage forms (M13A). To support the development of ICH M13A, we comprehensively reviewed the landscape of oral IR products approved by the U.S. Food and Drug Administration (FDA) and compared BE recommendations for these products in the current U.S. FDA and European Medicines Agency (EMA) BE guidances. We utilized databases including Drugs@FDA, Orange Book, and product-specific guidances (PSGs) published on the U.S. FDA and EMA websites to collect information. Oral IR products account for 46% of all FDA-approved new drug applications currently listed in Orange Book with 82.5% solids, 0.9% semi-solids, and 16.6% liquids. For all published U.S. FDA PSGs for solid oral IR products, in vivo BE studies with pharmacokinetic (PK) endpoints account for 88% of BE approaches recommended. Of these PK BE studies, 86.5% recommended fasting and fed BE studies, while only 15.9% EMA PSGs recommended both fasting and fed BE studies. This review helps clarify the scope of U.S. solid oral IR products impacted by the new ICH M13A draft guideline and demonstrates how recommendations in draft ICH M13A could significantly harmonize BE recommendations for IR oral products to facilitate global drug development.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Influence of Fuel Properties on Gasoline Direct Injection Particulate Matter Emissions Over First 200 s of World-Harmonized Light-Duty Test Procedure Using an Engine Dynamometer and Novel “Virtual Drivetrain” Software

Abstract The influence of fuel properties on particulate matter (PM) emissions from a catalytic gasoline particulate filter (GPF) equipped gasoline direct injection (GDI) engine was investigated using novel “virtual drivetrain” software and an engine mated to an engine dynamometer. The virtual drivetrain software was developed in labview to operate the engine on an engine dynamometer as if it were in a vehicle undergoing a driving cycle. The software uses a physics-based approach to determine vehicle acceleration and speed based on engine load and a programed “shift” schedule to control engine speed. The software uses a control algorithm to modulate engine load and braking to match a calculated vehicle speed with the prescribed speed trace of the driving cycle of choice. The first 200 s of the World-harmonized Light-duty Test Procedure (WLTP) driving cycle was tested using six different fuel formulations of varying volatility, aromaticity, and ethanol concentration. The first 200 s of the WLTP was chosen as the test condition because it is the most problematic section of the driving cycle for controlling PM emissions due to the cold start and cold drive off. It was found that there was a strong correlation between aromaticity of the fuel and the engine-out PM emissions, with the highest emitting fuel producing more than double the mass emissions of the low PM production fuel. However, the post-GPF PM emissions depended greatly on the soot loading state of the GPF. The fuel with the highest engine-out PM emissions produced comparable post-GPF emissions to the lowest PM producing fuel over the driving cycle when the GPF was loaded over three cycles with the respective fuels. These results demonstrate the importance of GPF loading state when aftertreatment systems are used for PM reduction. It also shows that GPF control may be more important than fuel properties, and that regulatory compliance for PM can be achieved with proper GPF control calibration irrespective of fuel type.

Energy & Fuels↗
DOE OSTI2025

Full complex amplitude control of second-harmonic generation via electrically tunable intersubband polaritonic metasurfaces

Nonlinear intersubband polaritonic metasurfaces based on coupling of the intersubband nonlinear optical response of quantum-engineered semiconductor heterostructures and electromagnetic modes of nanoresonators provide efficient frequency mixing with moderate pump intensities. The resonant nonlinear optical response, represented as a complex function, can be modulated via Stark tuning of intersubband transition energies under applied voltages. However, achieving full complex amplitude control (both phase and magnitude) remains challenging. In this work, we present and experimentally validate electrically tunable nonlinear intersubband polaritonic metasurfaces that achieve complete complex amplitude control for second-harmonic generation (SHG). Through a design featuring two in-plane flipped meta-atoms per unit cell, we achieve complete electrical control of both the amplitude and phase of the metasurface second-order nonlinear susceptibility, with a tuning range of 0 to 30 nm V −1 for the magnitude and 0-2π for the phase of the nonlinear optical response. Using these properties, we achieve complete on-off SHG modulation and beam diffraction tuning through electrically controlled amplitude and phase gratings.

Science & Technology - Other Topics↗
DOE OSTI2024

HIPSTER (Harmonized Impacts across Products, Scenarios, and Technologies for Environmental and Resource metrics) [SWR-24-17]

Development of a prototype, code-based life cycle assessment framework, the Harmonized Impacts across Products, Scenarios, and Technologies for Environmental and Resource metrics (HIPSTER), to coherently assess outputs of prospective NREL models across environmental and resource use metrics. Eventually, HIPSTER is aimed to also cover socioeconomic and justice metrics. At present, NREL model scenario impact assessments are performed incoherently, as they as based on varying assumptions and inputs, specifically life cycle inventories, and cover different system boundaries. HIPSTER was created to align the assumptions and boundaries with those of cradle-to-grave life cycle assessment. In FY22, HIPSTER was successfully applied using scenarios from the ReEDS™ model, NREL's flagship capacity expansion model resulting in cradle-to-grace time-series life cycle impacts across LCA midpoints and resource use metrics.

Ghosh, Tapajyoti↗