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At least 1,459 records · Page 81

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NASA NTRS2018

A New Model of Jupiter's Magnetic Field From Juno's First Nine Orbits

A spherical harmonic model of the magnetic field of Jupiter is obtained from vector magnetic field observations acquired by the Juno spacecraft during its first nine polar orbits about the planet. Observations acquired during eight of these orbits provide the first truly global coverage of Jupiter's magnetic field with a coarse longitudinal separation of ~45 deg between perijoves. The magnetic field is represented with a degree 20 spherical harmonic model for the planetary ("internal") field, combined with a simple model of the magnetodisc for the field ("external") due to distributed magnetospheric currents. Partial solution of the underdetermined inverse problem using generalized inverse techniques yields a model ("Juno Reference Model through Perijove 9") of the planetary magnetic field with spherical harmonic coefficients well determined through degree and order 10, providing the first detailed view of a planetary dynamo beyond Earth.

Connerney, J. E. P.↗

NASA NTRSDate not supplied

High Speed Data Investigation of an LOX/LNG Combustor Assisted by Non-linear Acoustic Simulations

During testing of a regenerative cooled liquid oxygen/liquid natural gas combustor large amplitude combustion instabilities were observed in half of the series conducted. These instabilities produced an unsteady pressure Root Mean Square (RMS) value greater than the chamber steady state pressure. Quick look investigations of the test data presented some standard indications of non-linear tangential instability such as a non-sinusoidal time series, and larger peaks than trough. Also observed in the data quick look were some atypical findings including a first harmonic amplitude larger than the fundamental, and numerous side bands on the fundamental and subsequent harmonics. A simplified model of the combustor was created using a commercially available finite element software. The first tangential acoustic mode was then simulated using a non-linear wave equation in conjunction with a time explicit discontinuous Gelarkin flow solver. Numerous simulations were evaluated providing valuable insight and reproducing the atypical findings in the data. Side bands were created through non-linear signal modulation like an AM radio. This happens due to the non-linear steepening and relaxing that occurs in large amplitude oscillations. The simulation was also able to reproduce a signal with a first harmonic amplitude larger than the fundamental. Investigating the pressure signal at multiple locations across the chamber head end revealed radial dependent frequency content. A literature review of the topic revealed corroboration of these effect in idealized geometries.

Combustion Stability↗

NASA NTRSDate not supplied

High Speed Data Investigation of an LOX/LNG Combustor Assisted by Non-linear Acoustic Simulations

Combustion Stability↗

NASA NTRSDate not supplied

Quantitative Assessment of the HLS Surface Reflectance Consistency

The Harmonized Landsat and Sentinel-2 (HLS) project produces compatible surface reflectance (SR) from observations acquired by Landsat-8/9 OLI and Sentinel-2A/2B MSI. The HLS harmonization procedures include atmosphere correction, cloud masking, view angle normalization, and bandpass adjustment. The objective of this study is to quantitatively assess the reflectance consistency between Landsat and Sentinel-2 within the Version 2 HLS data. We collected 545 pairs of same-day Landsat/Sentinel-2 images across the globe to represent a wide range of vegetation types and climate regimes. The mean absolute difference (MAD) in reflectance between Landat and Sentinel-2 was calculated as a consistency indicator for each harmonization step. The MAD generally increased after the atmosphere correction, and then greatly decreased after the BRDF and bandpass adjustments, to smaller than the top-of-atmosphere MAD values. The MAD ranged from 0.0048 to 0.0093 for the six common spectral bands (blue, green, red, NIR, SWIR1, and SWIR2) in the final products, only slightly greater than the difference between Landsat and Sentinel-2 calibrations.. An evaluation on a few commonly used vegetation indices also showed good agreement between Landsat and Sentinel-2 reflectance. All these evaluations demonstrate that the HLS project produces a consistent SR dataset from Landsat-OLI and Sentinel-MSI, which will be a valuable resource for a wide range of remote sensing applications.

Qiang Zhou↗

NASA NTRSDate not supplied

Homogenized Ground-Based and Profile Ozone Datasets From the TOAR-II/HEGIFTOM Project: Methods and Station Trends

Within the framework of the second phase of the Tropospheric Ozone Assessment Report (TOAR-II), it was recognized that an essential first step for deriving accurate trends from the ground-based networks that monitor ozone in the free troposphere is putting the measurements on the same basis with respect to absolute references and processing methods. The relevant procedures are referred to as “harmonization” or “homogenization”. The TOAR II working group, “HEGIFTOM” (Harmonization and Evaluation of Ground-based Instruments for Free-Tropospheric Ozone Measurements), has carried out harmonization for five types of network (Figure below) instruments (mid-1990s to 2020): ozonesondes, commercial aircraft IAGOS landing/takeoff profiles, Fourier-Transform Infrared spectrometer (FTIR), tropospheric Lidar, and Brewer/Dobson Umkehr. First, we summarize the homogenization effort for each network that provides new quality-assessed ozone profile or segment (partial column) data sets, including uncertainty estimates and quality flags. Second, with the HEGIFTOM datasets forming the basis for a global assessment of tropospheric ozone column trends, results derived with various trend detection algorithms will be presented. The ultimate goal is evaluation of the consistency of the calculated trends among different techniques at selected stations and/or regions.

ozone↗

DOE OSTI2023

Attosecond light-field control of high-density plasmas (Final Scientific/Technical Report)

Sub-optical-cycle dynamics of dense electron bunches in relativistic-intensity laser—solid interactions (relativistic plasma mirrors) lead to the emission of high-order harmonics and attosecond light pulses. The aim of this project was to advance our understanding of the fundamental principles underlying high-energy-density physics behind this phenomenon. We achieved this goal by conducting experiments and a comprehensive theoretical analysis of harmonics driven by specially tailored light waveforms providing precise control over the sub-laser-cycle trajectories of the emitting electron bunches. The multi-color laser waveforms, generated in our experiments in a cascaded plasma mirror configuration, allowed us to manipulate (enhance and suppress) harmonic generation in relativistic laser-solid interactions by adjusting the relative phase between the colors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Beyond the universal Dyson singularity for 1-D chains with hopping disorder

We study a simple non-interacting nearest neighbor tight-binding model in one dimension with disorder, where the hopping terms are chosen randomly. This model exhibits a well-known singularity at the band center both in the density of states and localization length. If the probability distribution of the hopping terms is well-behaved, then the singularities exhibit universal behavior, the functional form of which was first discovered by Freeman Dyson in the context of a chain of classical harmonic oscillators. We show here that this universal form can be violated in a tunable manner if the hopping elements are chosen from a divergent probability distribution. We also demonstrate a connection between a breakdown of universality in this quantum problem and an analogous scenario in the classical domain — that of random walks and diffusion with anomalous exponents.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Accuracy of the duration estimates of ultrashort laser pulses using a single-shot second-order intensity autocorrelator

The accuracy of estimating the duration of single-cycle laser pulses with centre wavelengths of 910 and 780 nm is analysed using a single-shot second-order intensity autocorrelator. It is shown that estimates of the single-cycle pulse duration with an error of less than 5 % require the use of KDP crystals with a thickness of no more than 10 μm for the second harmonic generation. At the same time, to estimate the duration of a transform-limited pulse containing ten optical cycles, the crystal thickness can be up to 1 mm. In this case, at an optimum angle of convergence of the first-harmonic beams, the duration estimation error is less than 2 %. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Magnetic Designs of New First Target Beamline Magnets for the ORNL SNS Upgrade

The Spallation Neutron Source (SNS) at ORNL currently is being upgraded from 1.0 GeV to 1.3 GeV. Several water-cooled magnets should be upgraded to transport 30% of higher beam energy. New chicane, injection/extraction septum, and Lambertson magnets were designed. Designing the magnets was a challenging task because the new magnets required good combined integrated field quality and needed to occupy the old magnets space but with about 20% greater integrated magnetic field. Additional strong requirements applied to the magnets fringe field do not disturb the circulating beam. The special field profiles had to be provided in foil areas between magnets. The analysis described here was based on OPERA3D simulations. A special technique was used for analyzing the integrated field harmonics. Initially, the particle track was simulated, and integrated field components were calculated along this track for the reference radius, which were used for the harmonics analysis. In addition, 3D field maps were provided for beam optics simulations. The final beamline analysis confirmed good beam transmission and low losses.

3d field maps↗

DOE OSTI2023

Attosecond probing and control of charge migration in carbon-chain molecule

In quantum mechanics, when an electron is quickly ripped off from a molecule, a superposition of new eigenstates of the cation creates an electron wave packet that governs the charge flow inside, which has been called charge migration (CM). Experimentally, extracting such dynamics at its natural (attosecond) timescale is quite difficult. We report the first such experiment in a linear carbon-chain molecule, butadiyne (C 4 H 2 ), via high-harmonic spectroscopy (HHS). By employing advanced theoretical and computational tools, we showed that the wave packet and the CM of a single molecule are reconstructed from the harmonic spectra for each fixed-in-space angle of the molecule. For this one-dimensional molecule, we calculate the center of charge $\langle$ x $\rangle$ ( t ) to obtain v cm , to quantify the migration speed and how it depends on the orientation angle. The findings also uncover how the electron dynamics at the first few tens to hundreds of attoseconds depends on molecular structure. The method can be extended to other molecules where the HHS technique can be employed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Giant Nonlinear Optical Response via Coherent Stacking of In-Plane Ferroelectric Layers

Thin ferroelectric materials hold great promise for compact nonvolatile memory and nonlinear optical and optoelectronic devices. Herein, an ultrathin in-plane ferroelectric material that exhibits a giant nonlinear optical effect, group-IV monochalcogenide SnSe, is reported. Nanometer-scale ferroelectric domains with ≈90°/270° twin boundaries or ≈180° domain walls are revealed in physical-vapor-deposited SnSe by lateral piezoresponse force microscopy. Atomic structure characterization reveals both parallel and antiparallel stacking of neighboring van der Waals ferroelectric layers, leading to ferroelectric or antiferroelectric ordering. Ferroelectric domains exhibit giant nonlinear optical activity due to coherent enhancement of second-harmonic fields and the as-resulted second-harmonic generation was observed to be 100 times more intense than monolayer WS 2 . This work demonstrates in-plane ferroelectric ordering and giant nonlinear optical activity in SnSe, which paves the way for applications in on-chip nonlinear optical components and nonvolatile memory devices.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Colossal Strain Tuning of Ferroelectric Transitions in KNbO 3 Thin Films

Strong coupling between polarization ( P ) and strain (ɛ) in ferroelectric complex oxides offers unique opportunities to dramatically tune their properties. Here colossal strain tuning of ferroelectricity in epitaxial KNbO 3 thin films grown by sub‐oxide molecular beam epitaxy is demonstrated. While bulk KNbO 3 exhibits three ferroelectric transitions and a Curie temperature ( T c ) of ≈676 K, phase‐field modeling predicts that a biaxial strain of as little as −0.6% pushes its T c > 975 K, its decomposition temperature in air, and for −1.4% strain, to T c > 1325 K, its melting point. Furthermore, a strain of −1.5% can stabilize a single phase throughout the entire temperature range of its stability. A combination of temperature‐dependent second harmonic generation measurements, synchrotron‐based X‐ray reciprocal space mapping, ferroelectric measurements, and transmission electron microscopy reveal a single tetragonal phase from 10 K to 975 K, an enhancement of ≈46% in the tetragonal phase remanent polarization ( P r ), and a ≈200% enhancement in its optical second harmonic generation coefficients over bulk values. These properties in a lead‐free system, but with properties comparable or superior to lead‐based systems, make it an attractive candidate for applications ranging from high‐temperature ferroelectric memory to cryogenic temperature quantum computing.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Large Enhancements in Optical and Piezoelectric Properties in Ferroelectric Zn 1- x Mg x O Thin Films through Engineering Electronic and Ionic Anharmonicities

Multifunctionality as a paradigm requires materials exhibiting multiple superior properties. Integrating second-order optical nonlinearity and large bandgap with piezoelectricity can, for example, enable broadband, strain-tunable photonics. Though very different phenomena at distinct frequencies, both second-order optical nonlinearity and piezoelectricity are third-rank polar tensors present only in acentric crystal structures. However, simultaneously enhancing both phenomena is highly challenging since it involves competing effects with tradeoffs. Recently, a large switchable ferroelectric polarization of ≈80 μC cm –2 was reported in Zn 1-x Mg x O films. Here, ferroelectric Zn 1-x Mg x O is demonstrated to be a platform that hosts simultaneously a 30% increase in the electronic bandgap, a 50% enhancement in the second harmonic generation (SHG) coefficients, and a near 200% improvement in the piezoelectric coefficients over pure ZnO. These enhancements are shown to be due to a 400% increase in the electronic anharmonicity and a ≈200% decrease in the ionic anharmonicity with Mg substitution. Precisely controllable periodic ferroelectric domain gratings are demonstrated down to 800 nm domain width, enabling ultraviolet quasi-phase-matched optical harmonic generation as well as domain-engineered piezoelectric devices.

36 MATERIALS SCIENCE↗

DOE OSTI2021

iSPECTRON: a simulation interface for linear and nonlinear spectra with ab-initio quantum chemistry software

We introduce iSPECTRON, an open source (under the Educational Community License version 2.0) program that parses data from common quantum chemistry software (NWChem, OpenMolcas, Gaussian, Cobramm, etc.), produces the input files for the simulation of linear and nonlinear spectroscopy of molecules with the Spectron code, and analyzes the spectra with a broad range of tools. Vibronic spectra are expressed in term of the electronic eigenstates, obtained through quantum chemistry computations, and vibrational/bath effects are incorporated in the framework of the displaced harmonic oscillator model, where all required quantities are computed at the Franck-Condon point. The code capabilities are illustrated by simulating linear absorption, transient absorption and two dimensional electronic spectra of the pyrene molecule. Two levels of electronic structure theory, TDDFT (with NWChem) and RASSCF/RASPT2 (with OpenMolcas), are compared where possible. Acknowledgements: F.S., A.N., D.R.N., N.G., S.M, M.G. acknowledge support from the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division under Award Nos. DE-SC0019484, KC-030103172684. The Spectron code was developed with support from the National Science Foundation (Grant CHE- 1953045). This research benefited from computational resources provided by EMSL, a DOE Office of Science User Facility sponsored by the Office of Biological and Environmental Research and located at PNNL. PNNL is operated by Battelle Memorial Institute for the United States Department of Energy under DOE Contract No. DE-AC05-76RL1830.

Segatta, Francesco↗

DOE OSTI2025

Detecting isolated resonance curves using fixed frequency voltage control tests

Isolated resonance curves, or isolas, are resonance branches of the harmonically forced system that exist separately from the main nonlinear forced response curve, leading to excessive vibrations. Traditional stepped or swept sine simulations and tests rely on continuation along the frequency parameter, typically resulting in a jump phenomenon along the primary resonance branch, prior to the disconnected isola. The main objective of this research is to propose an approach to identify isolated resonance curves by performing continuation along the input amplitude that initializes the response from a low-amplitude solution in the linear regime. Furthermore, this is achieved with the open-loop fixed frequency voltage control method that continues along the shaker voltage parameter and measures the so-called S-curves, which are theoretically a continuous solution branch that connect to the isola. The methodology is demonstrated on a fixture-wing-pylon assembly with a vibro-impact nonlinearity localized in a pylon subcomponent attachment. Multi-harmonic balance simulations are deployed to compute both the nonlinear forced response curves and S-curves to demonstrate the isola detection strategy on a reduced-order finite element model of the nonlinear system. Swept sine and fixed frequency voltage control tests are then conducted on the physical structure to demonstrate the isola detection experimentally, revealing the existence of the large amplitude vibrations that are undetected in the forces levels and frequencies measured with traditional frequency sweeping.

Characterization and Analytical Technique↗

DOE OSTI2026

Quantifying Microstructure Variability in Laser Powder Bed Fusion 316 L Stainless Steel Microstructures with Spatial Statistics

Here, we have explored data-driven methods for material microstructure quantification that improve sensitivity to microstructural changes compared to traditional approaches. The methods integrate multiple microstructural properties, including grain morphology, crystallographic orientation, and material phase information. The simpler method employs maps of the Euclidean distance transformation metric to evaluate the morphology of grain boundary networks. The more intensive approach employs generalized spherical harmonic mapping for crystallographic orientations, per-pixel phase information, and a variational auto-encoder for dimensionality reduction and results in a multidimensional clustering of by microstructure similarity. Applied to an experimental dataset of additively manufactured steel, both methods detected slight variations in samples produced under nominally identical processing conditions. Both methods were able to distinguish between samples from multiple (nominally identical) builds, while the generalized spherical harmonics-based method could additionally cluster data samples rotated at two orientations on the build plate. The improved sensitivity of the methods, demonstrated through comparison with traditional microstructure characterization techniques, offers advantages for microstructure quantification and comparisons in advanced manufacturing applications.

SS316L↗

DOE OSTI2021

A most misunderstood conditionally-solvable quantum-mechanical model

Highlights: • The Schrödinger equation for some quantum-mechanical models is separable in cylindrical coordinates. • The radial equation exhibits harmonic, linear and Coulomb-like interactions. • The Frobenius method leads to three-term recurrence relations. • Some particular energies are obtained from truncation of the recurrence relation. • Many authors misunderstood these results. In this paper we show that several authors have derived wrong physical conclusions from a gross misunderstanding of the exact eigenvalues and eigenfunctions of a conditionally-solvable quantum-mechanical model. It consists of an eigenvalue equation with seemingly Coulomb, linear and harmonic terms. Here we compare the results derived by those authors with the actual eigenvalues of the models calculated by means of the Ritz variational method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Democratizing life cycle assessment by developing a streamlined model of greenhouse gas emissions from US natural gas supply chains

Natural gas (NG) supply chains contribute substantially to the global energy supply and anthropogenic methane emissions, making them frequent subjects of life cycle assessments (LCAs). To better characterize central tendencies and variability, we systematically reviewed and harmonized published estimates of life cycle greenhouse gas (GHG) emissions from United States NG supply chains. Results informed a streamlined LCA model (SLiNG-GHG: streamlined LCAs of NG-GHGs) that quantifies carbon dioxide and methane from three gates: transmission, distribution, and shipping. Median estimates employing harmonized emission inputs, are 10, 11, and 21 g CO2e/MJ gas (100-year global warming potentials [GWPs]), and 20, 22, and 33 g CO2e/MJ gas (20-year GWPs), delivered to each gate, respectively. Alternatively, inputting available, independent methane measurements, SLiNG-GHG estimates varied from -23% to +316% relative to baseline. Bottom-up inventories used in LCAs tend to underestimate methane compared with measurements. Results underscore the need for open-source, streamlined LCA models that can easily incorporate rapidly evolving measurements for non-experts like investors and regulators.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗