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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Characterizing particle-like charge-migration dynamics with high-order harmonic sideband spectroscopy

Here, we introduce high-order harmonic sideband spectroscopy and show that it can be a robust probe of charge migration (CM) in a halogenated carbon-chain molecule. We simulate both the CM and high-order harmonic generation (HHG) dynamics using ab initio time-dependent density-functional theory. We find that CM dynamics initiated along the molecular backbone induces sidebands in the HHG spectrum driven by a delayed laser pulse that is polarized perpendicular to the molecular axis. Monitoring the spectrum as either the HHG laser frequency or the relative delay is scanned allows for the extraction of detailed information about the time-domain characteristics of the CM process.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Wavelength scaling and multicolor operation of a plasma-driven attosecond x-ray source via harmonic generation

The generation of high-power coherent soft x-ray pulses of sub-100 as duration and 10 nm wavelength using beams from a GeV energy plasma wakefield accelerator has been recently investigated in Emma []. As a future upgrade to this concept, this contribution investigates scaling to shorter x-ray wavelengths by cascading undulators tuned to higher harmonics of the fundamental. We present two simulation studies for plasma-driven attosecond harmonic generation schemes with final photon wavelengths of 2 and 0.40 nm. We demonstrate in these schemes that using undulators with retuned fundamental frequencies can produce GW-scale pulses of sub-nm radiation with tens of attosecond-scale pulse lengths, an order of magnitude shorter than current state-of-the-art attosecond x-ray free electron lasers (XFELs). This multipulse multicolor operation will be broadly applicable to attosecond pump-probe experiments. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Smooth periodic gauge satisfying crystal symmetry and periodicity to study high-harmonic generation in solids

Intense lasers can easily drive nonadiabatic transitions of excited electron wave packets across the Brillouin zones, thus transition dipole moments (TDM) between energy bands of solids should be continuous, satisfying crystal symmetry, and periodic at zone boundaries. While current ab initio algorithms are powerful in calculating band structures of solids, they all introduced random phases into the eigenfunctions at each crystal momentum k. In this work, we show how to choose a “smooth-periodic” gauge where TDMs can be smooth versus k, preserving crystal symmetry, as well as maintaining periodic at boundaries. The symmetry properties of TDMs with respect to k ensure the absence of even-order harmonics from MgO with inversion symmetry, while the TDM in the “smooth-periodic” gauge for broken-symmetry ZnO is responsible for even harmonics that were underestimated in previous simulations. These results reveal the importance of correctly treating the complex TDMs that satisfy crystal symmetry and continuous across zone boundaries in nonlinear laser-solid interactions, which has been elusive in most theories so far.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Implications of second harmonic generation for hidden order in Sr 2 CuO 2 Cl 2

Sr 2 CuO 2 Cl 2 (SCOC) is a model undoped cuprate with I4/mmm crystallographic symmetry, and a simple magnetic space group CAmca with associated magnetic point group mmm1'. However, recent second harmonic spectroscopy in the antiferromagnetic phase has challenged this picture, suggesting instead a magnetic point group 4/mm'm' that coexists with the antiferromagnetism and breaks the two orthogonal mirror planes containing the tetragonal c axis. Here, we analyze the symmetry of SCOC in light of the second harmonic results, and discuss possible ground states that are consistent with the data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Correlations between azimuthal anisotropy Fourier harmonics in PbPb collisions at sNN =2.76 TeV in the HYDJET++ model and in the multiphase transport model

Correlations between azimuthal anisotropy Fourier harmonics vn (n=2,3,4) are studied using the events from PbPb collisions at sNN=2.76 TeV generated by the HYDJET++ and multiphase transport (AMPT) models, and compared to the corresponding experimental results obtained by the ATLAS Collaboration. The Fourier harmonics vn are measured over a wide centrality range using the two-particle azimuthal correlation method. The slopes of the v2-v3 correlation from both models are in a good agreement with the ATLAS data. The HYDJET++ model predicts a stronger slope for the v2-v4 and v3-v4 correlations than the ones experimentally measured, while the results from the AMPT model are in a rather good agreement with the experimental results. In contrast to the HYDJET++ predictions, the AMPT model predicts a boomeranglike shape in the structure of the correlations as found in the experimental data. © 2020 American Physical Society.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Quantum-Path-Resolved Attosecond High-Harmonic Spectroscopy

Strong-field ionization of molecules releases electrons which can be accelerated and driven back to recombine with their parent ion, emitting high-order harmonics. This ionization also initiates attosecond electronic and vibrational dynamics in the ion, evolving during the electron travel in the continuum. Revealing this subcycle dynamics from the emitted radiation usually requires advanced theoretical modeling. Here we show that this can be avoided by resolving the emission from two families of electronic quantum paths in the generation process. The corresponding electrons have the same kinetic energy, and thus the same structural sensitivity, but differ by the travel time between ionization and recombination-the pump-probe delay in this attosecond self-probing scheme. We measure the harmonic amplitude and phase in aligned CO 2 and N 2 molecules and observe a strong influence of laser-induced dynamics on two characteristic spectroscopic features: a shape resonance and multichannel interference. This quantum-path-resolved spectroscopy thus opens wide prospects for the investigation of ultrafast ionic dynamics, such as charge migration.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

In-Situ Nanoscale Focusing of Extreme Ultraviolet Solid-State High Harmonics

Extreme ultraviolet light delivering radiation with a wavelength shorter than approximately 100 nm is now available from solid-state sources. However, despite exceptional progress, efficient focusing of extreme ultraviolet photons to their ultimate diffraction limit remains a formidable challenge because of the precision of the focusing by curved, optical surfaces. Here we integrate coherent short-wavelength high-order harmonics from a MgO crystal, with a high-numerical-aperture, nanostructured, focusing element etched onto the surface of the crystal itself. We focus extreme ultraviolet light, seventh harmonic of an 800-nm laser, with a zone plate of numerical aperture 0.35, down to a waist radius of 150 nm, with 18% focusing efficiency. The estimated intensity approaches 10 7 W/cm 2 . Future developments may demonstrate nanoscale laser ablation and miniaturization of extreme ultraviolet coherent sources on a chip.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Low Space Harmonic Content Windings (LSHWs) Applied to Improve the Pareto Front in Design Optimization of Electric Machines

In design optimization of high performance electric machines where the power density is increasingly a key metric, it is often desirable to maximize the average torque output within a given volume. However, if a smooth output is also required, the torque ripple may become a hurdle as it tends to increase with the average torque for conventional windings. A direct benefit of low space harmonic content windings (LSHWs), featuring the suppression or elimination of targeted non-working orders in the winding magnetomotive force (MMF), is the torque ripple reduction. This paper provides a detailed analysis of torque ripple pairs and the space-time harmonic order mapping, with concise results that applies to both distributed windings and fractionalslot concentrated windings (FSCWs) of any slot/pole combination. Metamodel-based optimizations are performed to compare two LSHWs with a conventional winding. Improved Pareto fronts are validated, which confirms higher torque producing capabilities at various torque ripple thresholds for LSHWs.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

A Single-Stage Multilevel AC-DC Bidirectional Converter With Natural Grid Harmonic Elimination

Generally, AC-DC converters have an AC-DC stage followed by a DC-DC stage. In these two stage approaches, the AC-DC stage is hard-switched, whereas the DC-DC stage is soft-switched. Therefore, the devices in the AC-DC stage can be switched only at tens of kHz to avoid excessive switching losses, thus limiting the bandwidth of the current control loop. Hence, the control of these converters with distorted grid voltages requires multiple harmonic compensation loops or other complex control algorithms in order for the grid currents to comply with IEEE standards. By integrating both the stages, the devices in the AC-DC stage can also be soft-switched, thus facilitating higher switching frequency, and thereby higher current control bandwidth. This paper proposes an integrated multilevel bidirectional AC-DC converter with improved control bandwidth and disturbance rejection. It is shown experimentally that the high bandwidth current control loop of the converter can reject grid harmonic current disturbances, without the need for any compensation loops or complex control techniques, and comply with IEEE standards.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Harmonics and Stability Evaluation of Converter-Interfaced Combined Heat and Power Units

Grid integration of medium-sized combined heat and power (CHP) units is challenging due to strict grid codes and conventional generators lack of control flexibility to meet these grid codes. Adding a two-stage ac-dc-ac power electronics interface between the generator and the utility grid will accelerate the interconnection process of CHP units. For the dc-ac stage, a voltage source converter (VSC) has been widely used as a grid-tied inverter because of its fast control and low total harmonics distortion (THD). In this paper, several topologies of generator-side rectifiers for ac-dc power conversion are explored and analyzed. The harmonics impact of various rectifiers on the CHP generator are evaluated. The overall cost of the electrical system, when using various types of rectifiers, is assessed and the VSC back-to-back converter interface configuration is found to be optimal. The overall system stability is also examined using small-signal impedance analysis to assess potential instability issues at the system level.

CHP, Harmonics, Generator Rectifier Unit, DC Imped↗
DOE OSTI2021

Cyber-Attack Detection for Photovoltaic Farms Based on Power-Electronics-Enabled Harmonic State Space Modeling

Here in this paper, a physics-data-based detection method is proposed to detect a variety of cyber-attacks in Photovoltaic (PV) farms using the power electronics-enabled harmonic state space (HSS) models, which, to our knowledge, is original. At the device level, HSS-based detection is developed to monitor harmonic vectors of individual PV converter with minimum sensor measurements, thus improving accuracy and robustness compared to Kalman Filter-based detection. At the system level that involves multiple PV converters, a clustering approach is developed to investigate attack propagation and accurately locate attack sources within a PV farm. The proposed approach is one of the first attempts to address PV security through interaction between the device and system, maximizing the accuracy and robustness at different levels. To verify the feasibility, a comprehensive attacks model is built, including single attack, coordinated attacks, and replay attacks. Besides, the impacts of irradiance changes are taken into consideration in the test scenarios. With the real-time data acquisition and hardware-in-the-loop testbed, comprehensive test results are provided to verify the feasibility of the proposed detection methodology.

42 ENGINEERING↗
DOE OSTI2023

Generalized analytical and numerical modeling of optical second harmonic generation in anisotropic crystals and complex heterostructures using #SHAARP package

Optical second harmonic generation (SHG) is a nonlinear optical effect widely used for nonlinear optical microscopy and laser frequency conversion. The closed-form analytical solution of the nonlinear optical responses is essential for evaluating the optical responses of new materials whose optical properties are unknown a priori. Many approximations have therefore been employed in the existing analytical approaches, such as slowly varying approximation, weak reflection of the nonlinear polarization, transparent medium, high crystallographic symmetry, Kleinman symmetry, easy crystal orientation along a high-symmetry direction, phase matching conditions and negligible interference among nonlinear waves, which may lead to large errors in the reported material properties. To avoid these approximations, here we have developed an open-source package named Second Harmonic Analysis of Anisotropic Rotational Polarimetry (#SHAARP) for single interface (si) and in multilayers (ml) for homogeneous crystals. The reliability and accuracy are established by experimentally benchmarking with both the SHG polarimetry and Maker fringes predicted from the package using standard materials. SHAARP.si and SHAARP.ml are available through GitHub https://github.com/Rui-Zu/SHAARP and https://github.com/bzw133/SHAARP.ml, respectively.

complex systems↗
DOE OSTI2024

Economic, Greenhouse Gas, and Resource Assessment for Fuel and Protein Production from Microalgae: 2022 Algae Harmonization Update

This report presents an updated "harmonization study" documenting the collaborative analysis of microalgae cultivation and conversion to fuels and products. Four national laboratory modeling teams reconvened to investigate the resource, economic, and environmental sustainability implications of integrated systems encompassing large-scale algae farms and conversion biorefineries. Relative to prior harmonization analyses conducted by these partners, the present effort focuses on more near-term deployment potential based on the use of nutrient-replete, high-protein algal biomass compositions (more readily achievable today without sacrificing cultivation productivity), though this also incurs challenges in lower fuel yields and accordingly higher costs and carbon intensities for the overall integrated systems. Additionally, the present assessment adds further granularity around carbon dioxide (CO 2 ) sourcing and transport via carbon capture of nearby point sources, as well as handling of high-saline cultivation media and resultant blowdown/disposal processing. Finally, this assessment focuses on conversion opportunities to produce both fuel (prioritizing sustainable aviation fuel, in this case via hydrothermal liquefaction) and protein products for the food and feed markets, recognizing growing needs for such products.

09 BIOMASS FUELS↗
DOE OSTI2026

Cybersecurity Standards for Distributed Energy Resources: Gaps and Harmonization Strategy

This report examines cybersecurity standards for Distributed Energy Resources (DERs) in light of their rapid growth and increasing integration into energy systems. It identifies critical gaps in existing frameworks, including inadequate coverage of DER-specific challenges, complexities in implementing comprehensive standards, integration issues with legacy systems, adoption hurdles for newer standards, and a lack of harmonization across regulatory landscapes. The analysis highlights vulnerabilities such as data integrity risks, unauthorized device control, and denial-of-service attacks across various DER technologies like solar PV, wind turbines, energy storage systems, and hydrogen fuel cells. The report proposes a harmonization strategy to address these deficiencies by developing unified cybersecurity requirements, certification programs, and training resources while fostering collaboration among stakeholders such as government agencies, industry groups, DER operators, manufacturers, and research institutions. A phased roadmap is outlined to refine and implement these measures through pilot testing and widespread adoption. Ultimately, the report underscores the urgent need for coordinated efforts to enhance DER cybersecurity and ensure the reliable operation of future energy systems.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Adaptive Narrowband Damping for Improving Harmonic Stability of Modular Multilevel Converter: Preprint

Harmonic instability events between modular multilevel converter (MMC) and ac systems have been widely reported in recent years. To resolve it, this paper proposes an adaptive narrowband damping control that automatically programs, adds and adjusts damping around the oscillation frequency when detect the oscillation. The paper first presents a low-pass filter design for MMC control loops, which pushes all negative damping of MMC impedance down to the medium frequency range (< approximately 1000 Hz). This makes narrowband damping can be more targeted and easier to design because multiple harmonic oscillations are avoided. An adaptive damping control that uses online oscillation detection is then proposed, which can automatically configure the narrowband damper to provide damping to the MMC at the detected oscillation frequency. In contrast to existing narrowband damping methods, the proposed adaptive narrowband damper adjusts the damping gain (e.g., to zero when system resonance disappears) and the width of the damping range automatically based on continuous monitoring of system resonance conditions. Electromagnetic transient (EMT) simulation results validate the efficacy of the proposed method in two typical MMC-based power systems.

active damping↗
DOE OSTI2023

Nonlinear Dispersion Relation and Out‐of‐Plane Second Harmonic Generation in MoSSe and WSSe Janus Monolayers

Janus transition metal dichalcogenides are an emerging class of atomically thin materials with engineered broken mirror symmetry that gives rise to long‐lived dipolar excitons, Rashba splitting, and topologically protected solitons. They hold great promise as a versatile nonlinear optical platform due to their broadband harmonic generation tunability, ease of integration on photonic structures, and nonlinearities beyond the basal crystal plane. Here, second and third harmonic generation in MoSSe and WSSe Janus monolayers is studied. Polarization‐resolved spectroscopy is used to map the full second‐order susceptibility tensor of MoSSe, including its out‐of‐plane components. In addition, the effective third‐order susceptibility and the second‐order nonlinear dispersion close to exciton resonances for both MoSSe and WSSe are measured at room and cryogenic temperatures. This work sets a bedrock for understanding the nonlinear optical properties of Janus transition metal dichalcogenides and probing their use in the next‐generation on‐chip multifaceted photonic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Harmonizing tau positron emission tomography in Alzheimer's disease: The CenTauR scale and the joint propagation model

Abstract INTRODUCTION Tau‐positron emission tomography (PET) outcome data of patients with Alzheimer's disease (AD) cannot currently be meaningfully compared or combined when different tracers are used due to differences in tracer properties, instrumentation, and methods of analysis. METHODS Using head‐to‐head data from five cohorts with tau PET radiotracers designed to target tau deposition in AD, we tested a joint propagation model (JPM) to harmonize quantification (units termed “CenTauR” [CTR]). JPM is a statistical model that simultaneously models the relationships between head‐to‐head and anchor point data. JPM was compared to a linear regression approach analogous to the one used in the amyloid PET Centiloid scale. RESULTS A strong linear relationship was observed between CTR values across brain regions. Using the JPM approach, CTR estimates were similar to, but more accurate than, those derived using the linear regression approach. DISCUSSION Preliminary findings using the JPM support the development and adoption of a universal scale for tau‐PET quantification. Highlights Tested a novel joint propagation model (JPM) to harmonize quantification of tau PET. Units of common scale are termed “CenTauRs”. Tested a Centiloid‐like linear regression approach. Using five cohorts with head‐to‐head tau PET, JPM outperformed linearregressionbased approach. Strong linear relationship was observed between CenTauRs values across brain regions.

Neurosciences & Neurology↗
DOE OSTI2024

Harmonizing direct and indirect anthropogenic land carbon fluxes indicates a substantial missing sink in the global carbon budget since the early 20th century

Inconsistencies in the calculation of the two anthropogenic land flux terms of the global carbon cycle are investigated. The two terms—the direct anthropogenic flux (caused by direct human disturbance in anthromes, currently a carbon source to the atmosphere) and the indirect anthropogenic flux (caused indirectly by human activities that lead to global change and affecting all biomes, currently an atmospheric carbon sink)—are typically calculated independently, resulting in inconsistent underlying assumptions. We harmonize the estimation of the two anthropogenic land flux terms by incorporating previous estimates of these inconsistencies. We recalculate the global carbon budget (GCB) and apply change-point analysis to the cumulative budget imbalance. Cumulative over 1850–2018 (1959–2018), harmonization results in a 13% lesser (4% greater) land use source from anthromes and a 20% (23%) lesser land sink. This recalculation yields a greater non-closure of the GCB, indicating a missing carbon sink averaging 0.65 Pg C year -1 since the early 20th century. The imbalance likely results from a combination of method discontinuity and structural errors in the assessment of the direct anthropogenic land use flux, greater ocean carbon uptake, structural errors in land models, and in how these land terms are quantified for the budget. We caution against overconfidence in considering the GCB a solved problem and recommend further study of methodological discontinuities in budget terms. We strongly recommend studies that quantify the direct and indirect anthropogenic land fluxes simultaneously to ensure consistency, with a deeper understanding of human disturbance and legacy effects in anthromes.

54 ENVIRONMENTAL SCIENCES↗