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At least 649 records · Page 36

OC6 phase I: Improvements to the OpenFAST predictions of nonlinear, low-frequency responses of a floating offshore wind turbine platform

We report in the OC5 and OC6 projects, the authors observed a persistent underprediction of the nonlinear, low-frequency responses of an offshore wind semisubmersible with many mid-fidelity engineering models, including the OpenFAST tool developed by the National Renewable Energy Laboratory. Both the low-frequency wave excitation in surge and pitch and the resulting resonance motions were severely underpredicted. In response, we developed several modifications to the OpenFAST model from the OC5/6 projects to improve the predictions of the low-frequency wave loads and responses. All modifications are in the modeling of the viscous drag forces. Efforts were made to provide physical justifications to the changes and to limit the number of additional parameters requiring tuning, so that the modified model can be applied to other floating wind systems. With the proposed modifications, the predictions of the low-frequency surge and pitch wave loads on a fixed floater and the resonance responses of a floating structure are both significantly improved with a single set of model coefficients, which leads to good agreement with the measurements from the OC6 wave-basin experimental campaign.

17 WIND ENERGY↗

Deblurring

In most instances, traditional EEG methodology provides insufficient spatial detail to identify relationships between brain electrical events and structures and functions visualized by magnetic resonance imaging or positron emission tomography. This article describes a method called Deblurring for increasing the spatial detail of the EEG and for fusing neurophysiologic and neuroanatomic data. Deblurring estimates potentials near the outer convexity of the cortex using a realistic finite element model of the structure of a subject's head determined from their magnetic resonance images. Deblurring is not a source localization technique and thus makes no assumptions about the number or type of generator sources. The validity of Deblurring has been initially tested by comparing deblurred data with potentials measured with subdural grid recordings. Results suggest that deblurred topographic maps, registered with a subject's magnetic resonance imaging and rendered in three dimensions, provide better spatial detail than has heretofore been obtained with scalp EEG recordings. Example results are presented from research studies of somatosensory stimulation, movement, language, attention and working memory. Deblurred ictal EEG data are also presented, indicating that this technique may have future clinical application as an aid to seizure localization and surgical planning.

Non-NASA Center↗

Self-organization in neural networks - Applications in structural optimization

The present paper discusses the applicability of ART (Adaptive Resonance Theory) networks, and the Hopfield and Elastic networks, in problems of structural analysis and design. A characteristic of these network architectures is the ability to classify patterns presented as inputs into specific categories. The categories may themselves represent distinct procedural solution strategies. The paper shows how this property can be adapted in the structural analysis and design problem. A second application is the use of Hopfield and Elastic networks in optimization problems. Of particular interest are problems characterized by the presence of discrete and integer design variables. The parallel computing architecture that is typical of neural networks is shown to be effective in such problems. Results of preliminary implementations in structural design problems are also included in the paper.

Hajela, Prabhat↗

Nonlinear absorption in AlGaAs/GaAs multiple quantum well structures grown by metalorganic chemical vapor deposition

This paper reports the study of growth conditions for achieving the sharp exciton resonances and low-intensity saturation of these resonances in AlGaAs-GaAs multiple quantum well structures grown by metalorganic chemical vapor deposition. Low growth temperature is necessary to observe this sharp resonance feature at room temperature. The optimal growth conditions are a tradeoff between the high temperatures required for high quality AlGaAs and low temperatures required for high-purity GaAs. A strong optical saturation of the excitonic absorption has been observed. A saturation density as low as 250 W/sq cm is reported.

Lee, H. C.↗

Conformational Structure of Tyrosine, Tyrosyl-Glycine, and Tyrosyl-Glycyl-Glycine by Double Resonance Spectroscopy

We investigated the variation in conformation for the amino acid tyrosine (Y), alone and in the small peptides tyrosine-glycine (YC) and tyrosine-glycine-glycine (YGG), in the gas phase by using UV-UV and IR-UV double resonance spectroscopy and density functional theory calculations. For tyrosine we found seven different conformations, for YG we found four different conformations, and for YGG we found three different conformations. As the peptides get larger, we observe fewer stable conformers, despite the increasing complexity and number of degrees of freedom. We find structural trends similar to those in phenylalanine-glycine glycine (FGG) and tryptophan-glycine-glycine (WGG)j however) the effect of dispersive forces in FGG for stabilizing a folded structure is replaced by that of hydrogen bonding in YGG.

Abo-Riziq, Ali↗

Dynamic loads on twin jet exhaust nozzles due to shock noise

Acoustic near field data were collected with model single and twin jet nozzles to determine if closely spaced nozzles produce higher acoustic loading than do single nozzles. The tests were spurred by structural failure of the B-1 exhaust nozzle external flaps and similar damage on the F-15. The test was performed using two 5/8 in. ID pipes machined and placed side-by-side to mimic B-1 nozzles. A microphone mounted on the internozzle fairing measured acoustic levels near the nozzle exit plane. The nozzles oscillated significantly more than did a single nozzle over a wide range of nozzle pressure ratios. Acoustic levels in the dual jets exceeded single jet noise by as much as 20 dB, making acoustic resonance a definite candidate for structural damage in the twin jet configuration.

Norum, T. D.↗

Slow Light in Coupled Resonator Optical Waveguides

Recently, we discovered that a splitting of the whispering gallery modes (WGMs) occurs in coupled resonator optical waveguides (CROWs), and that these split modes are of a higher Q than the single-resonator modes, leading to enormous circulating intensity magnification factors that dramatically reduce thresholds for nonlinear optical (NLO) processes. As a result of the enhancements in Q, pulses propagating at a split resonance can propagate much slower (faster) for over (under)-coupled structures, due to the modified dispersion near the split resonance. Moreover, when loss is considered, the mode-splitting may be thought of as analogous to the Autler-Townes splitting that occurs in atomic three-level lambda systems, i.e., it gives rise to induced transparency as a result of destructive interference. In under- or over-coupled CROWs, this coupled resonator induced transparency (CRIT) allows slow light to be achieved at the single-ring resonance with no absorption, while maintaining intensities such that NLO effects are maximized. The intensity magnification of the circulating fields and phase transfer characteristics are examined in detail.

Chang, Hongrok↗

Mode Profiles in Waveguide-Coupled Resonators

Surface acoustic wave (SAW) waveguide-coupled resonators are of considerable interest for narrow-band filter applications, though to date there has been very little published on the acoustic details of their operation. As in any resonator, one must fully understand its mode structure and herein we study the SAW mode profiles in these devices. Transverse mode profiles in the resonant cavity of the device were measured at various frequencies of interest using a knife-edge laser probe. In addition we predict the mode profiles for the device structure by two independent methods. One is a stack-matrix approach adapted from integrated optics and the other is a conventional analytical eigenmode analysis of the Helmholtz equation. Both modeling techniques are in good agreement with the measured results.

Hunt, William D.↗

A Highly Ordered Nitroxide Side Chain for Distance Mapping and Monitoring Slow Structural Fluctuations in Proteins

Abstract Site-directed spin labeling electron paramagnetic resonance (SDSL-EPR) is an established tool for exploring protein structure and dynamics. Although nitroxide side chains attached to a single cysteine via a disulfide linkage are commonly employed in SDSL-EPR, their internal flexibility complicates applications to monitor slow internal motions in proteins and to structure determination by distance mapping. Moreover, the labile disulfide linkage prohibits the use of reducing agents often needed for protein stability. To enable the application of SDSL-EPR to the measurement of slow internal dynamics, new spin labels with hindered internal motion are desired. Here, we introduce a highly ordered nitroxide side chain, designated R9, attached at a single cysteine residue via a non-reducible thioether linkage. The reaction to introduce R9 is highly selective for solvent-exposed cysteine residues. Structures of R9 at two helical sites in T4 Lysozyme were determined by X-ray crystallography and the mobility in helical sequences was characterized by EPR spectral lineshape analysis, Saturation Transfer EPR, and Saturation Recovery EPR. In addition, interspin distance measurements between pairs of R9 residues are reported. Collectively, all data indicate that R9 will be useful for monitoring slow internal structural fluctuations, and applications to distance mapping via dipolar spectroscopy and relaxation enhancement methods are anticipated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Correlation of Injury Simulation with Clinical Assessment of Traumatic Brain Injury

This report contains a summary of our efforts to correlate head injury simulations predicting intracranial fluid cavitation with clinical assessments of brain injury from blunt impact to the head. Magnetic resonance imaging (MRI) data, collected on traumatic brain injury (TBI) subjects by researchers at the MIND Institute of New Mexico, was acquired for the current work. Specific blunt impact TBI case histories were selected from the TBI data for further study and possible correlation with simulation. Both group and single-subject case histories were examined. We found one single-subject case that was particularly suited for correlation with simulation. Diffusion tensor image (DTI) analysis of the TBI subject identified white matter regions within the brain displaying reductions in fractional anisotropy (FA), an indicator of local damage to the white matter axonal structures. Analysis of functional magnetic resonance image (fMRI) data collected on this individual identified localized regions of the brain displaying hypoactivity, another indicator of brain injury. We conducted high fidelity simulations of head impact experienced by the TBI subject using the Sandia head-neck-torso model and the shock physics computer code CTH. Intracranial fluid cavitation predictions were compared with maps of DTI fractional anisotropy and fMRI hypoactivity to assess whether a possible correlation exists. The ultimate goal of this work is to assess whether one can correlate simulation predictions of intracranial fluid cavitation with the brain injured sites identified by the fMRI and DTI analyses. The outcome of this effort is described in this report.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Solvation Structure and Dynamics of Mg(TFSI) 2 Aqueous Electrolyte

Using ab initio molecular dynamics (AIMD) simulations, classical molecular dynamics (CMD) simulations, small-angle X-ray scattering (SAXS), and pulsed-field gradient nuclear magnetic resonance (PFG-NMR), the solvation structure and ion dynamics of magnesium bis(trifluoromethanesulfonyl)imide (Mg(TFSI) 2 ) aqueous electrolyte at 1, 2, and 3 m concentrations are investigated. From AIMD and CMD simulations, the first solvation shell of an Mg 2+ ion is found to be composed of six water molecules in an octahedral configuration and the solvation shell is rather rigid. The TFSI - ions prefer to stay in the second solvation shell and beyond. Meanwhile, the comparable diffusion coefficients of positive and negative ions in Mg(TFSI) 2 aqueous electrolytes have been observed, which is mainly due to the formation of the stable [Mg(H 2 O) 6 ] 2+ complex, and, as a result, the increased effective Mg ion size. Finally, the calculated correlated transference numbers are lower than the uncorrelated ones even at the low concentration of 2 and 3 m, suggesting the enhanced correlations between ions in the multivalent electrolytes. This work provides a molecular-level understanding of how the solvation structure and multivalency of the ion affect the dynamics and transport properties of the multivalent electrolyte, providing insight for rational designs of electrolytes for improved ion transport properties.

36 MATERIALS SCIENCE↗

MatLab Package for Whispering Gallery Mode Data

Dye-doped whispering gallery mode resonator (WGMR) microspheres yield highly structured emission spectra that are extremely sensitive to their environment and are of intense interest for use in a variety of sensing applications. Efforts to leverage the unique sensitivities of WGMRs have relied on stringent experimental requirements to correlate specific spectral shifts/changes to an analyte/stimulus such as 1) precise positional knowledge, 2) reference spectra for each microsphere, and 3) high mechanical stability. Consequently, these can hinder adequate mixing or incorporation of analytes and creates challenges for remote sensing. The MATLAB codes provided here are to be used in conjunction with a continuous flow technique for measuring WGM spectra of dye-doped microspheres suspended in solution. One MATLAB script, smooths the data, automatically baseline corrects it to isolate the whispering gallery modes (WGM) from the unwanted bulk emission, and assesses the similarity of each spectrum to aid in selecting a set of unique WGM spectra for further analysis. The next script is designed to analyze WGM spectra to determine the size of the resonator and the refractive index (RI) of its local environment without a priori knowledge of the individual microsphere. The final script allows the user to cluster spheres based on the product of their RI and radius and the contrast ratio of the RI of the sphere material and that of its environment by using a shared nearest neighbor spectral clustering algorithm.

Lilley, Laura↗

Near-field imaging of optical resonances in silicon metasurfaces using photoelectron microscopy

Precise control of light–matter interactions at the nanoscale lies at the heart of nanophotonics. However, experimental examination at this length scale is challenging since the corresponding electromagnetic near-field is often confined within volumes below the resolution of conventional optical microscopy. In semiconductor nanophotonics, electromagnetic fields are further restricted within the confines of individual subwavelength resonators, limiting access to critical light–matter interactions in these structures. In this work, we demonstrate that photoelectron emission microscopy (PEEM) can be used for polarization-resolved near-field spectroscopy and imaging of electromagnetic resonances supported by broken-symmetry silicon metasurfaces. We find that the photoemission results, enabled through an in situ potassium surface layer, are consistent with full-wave simulations and far-field reflectance measurements across visible and near-infrared wavelengths. In addition, we uncover a polarization-dependent evolution of collective resonances near the metasurface array edge taking advantage of the far-field excitation and full-field imaging of PEEM. Here, we deduce that coupling between eight resonators or more establishes the collective excitations of this metasurface. All told, we demonstrate that the high-spatial resolution hyperspectral imaging and far-field illumination of PEEM can be leveraged for the metrology of collective, non-local, optical resonances in semiconductor nanophotonic structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The dominant coherent structure of the circular jet organized by controlled perturbation

The dominant large-scale coherent structure of a circular jet has been organized through controlled perturbation at the jet Strouhal number of 0.3, induced acoustically in two air jets through cavity resonance. Selected phases of the coherent structure were studied for three Reynolds numbers (25,000; 55,000; and 110,000), and two limiting initial conditions; laminar and fully turbulent initial boundary layers. Distributions of phase-average structure properties, i.e., longitudinal and lateral velocities, coherent vorticity and Reynolds stress, phase-random turbulence intensities and Reynolds stress, and streamline and pseudo-streamfunction patterns are obtained. The phase-random turbulence intensity is greatest at the structure center where the coherent vorticity is also the maximum. Some properties of the structure show mild but systematic dependence on Reynolds number.

Zaman, K. B. M. Q.↗

Uncovering the 3d and 4d Electronic Interactions in Solvated Ru Complexes with 2p3d Resonant Inelastic X-ray Scattering

The electronic structure and dynamics of ruthenium complexes are widely studied given their use in catalytic and light-harvesting materials. Here we investigate three model Ru complexes, [Ru III (NH 3 ) 6 ] 3+ , [Ru II (bpy) 3 ] 2+ , and [Ru II (CN) 6 ] 4– , with L 3 -edge 2p3d resonant inelastic X-ray scattering (RIXS) to probe unoccupied 4d valence orbitals and occupied 3d orbitals and to gain insight into the interactions between these levels. In this study, the 2p3d RIXS maps contain a higher level of spectral information than the L 3 X-ray absorption near edge structure (XANES). This study provides a direct measure of the 3d spin–orbit splittings of 4.3, 4.0, and 4.1 eV between the 3d 5/2 and 3d 3/2 orbitals of the [Ru III (NH 3 ) 6 ] 3+ , [Ru II (bpy) 3 ] 2+ , and [Ru II (CN) 6 ] 4– complexes, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Interface Carriers and Enhanced Electron-Phonon Coupling Effect in Al 2 O 3 /TiO 2 Heterostructure Revealed by Resonant Inelastic Soft X-Ray Scattering

The electronic structure and the electron-phonon couplings in a novel mass-production-compatible Al 2 O 3 /TiO 2 2D electron system (2DES) are investigated using resonant inelastic soft X-ray scattering. The experimental data from the samples of various TiO 2 thicknesses unequivocally show that the Ti 3+ state indeed exists at the deep interface to serve as an n-type dopant for the 2DES. Here, the electronic structure of Ti 3+ species is scrutinized as entirely separated from that of the Ti 4+ host lattice. Furthermore, features of sub-eV energy loss phonon modes are clearly observed, indicating substantial electron-phonon coupling effects. Such low energy loss features are enhanced in thinner TiO 2 samples, implying that polaronic local lattice deformation is enhanced due to the presence of Ti 3+ . These findings suggest that the 2DES properties can be controlled via well-established TiO 2 engineering, thereby enthroning the binary oxide heterostructure as a promising candidate for 2DES device applications.

2D electron gas↗

Surface Terminations of LaAlO 3 Perovskite Nanoparticles as Viewed by Solid-State Nuclear Magnetic Resonance

Nanocrystal surfaces generally undergo reconstructions that differentiate them from the bulk structures, often in nontrivial ways. Understanding these terminations is critical across diverse fields, from heterogeneous catalysis to the formation of topological states and the synthesis of semiconductor nanomaterials. Determining surface structures is currently an interdisciplinary task, most often involving high-resolution electron microscopy and surface electron diffraction. These methods, however, do not provide a global view of the ensemble of structures present in a sample. Here, we show how surface-sensitive solid-state nuclear magnetic resonance (SSNMR) spectroscopy methods can bridge this gap. In this context, we investigated the surface structure of lanthanum aluminate (LaAlO 3 ) perovskite nanoparticles. Four distinct surface terminations have previously been observed for this material, but their relative abundances were unknown. Using an array of double- and triple-resonance SSNMR methods probing the relative proximities of surface 1 H, 27 Al, 17 O, and 139 La nuclei, we conclude the surface to be majority terminated (80%) by AlO x with substantial (20%) LaO x terminated regions.

Materials↗