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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Dynamic modelling of slip in a wind turbine spherical roller main bearing

This paper considers the problem of the dynamic modelling of macro slip in spherical roller bearings. By revisiting the fundamental physics which drive these systems, potential issues in existing models have been identified. Furthermore, in pure rolling conditions it was found that governing differential equations become "stiff", requiring the use of implicit methods of time integration. The problem of individual roller macro slip in a wind turbine main bearing is then investigated using a simplified representation of system dynamics. Model results indicate clear links between slip/friction and the operational strategy of the wind turbine, as well as significantly higher frictional effects in the downwind main bearing row. Due to modelling simplifications, these results should not yet be considered conclusive, with further work required.

17 WIND ENERGY↗
DOE OSTI2026

Time-Domain Vortex Induced Vibration Modeling of Reference Dynamic Power Cable for the Gulf of Maine

Vortex-induced vibration (VIV) is a phenomenon known to decrease the fatigue life of dynamic power cables used in floating offshore wind systems through increased bending loading cycles. A variety of modeling solutions have been proposed to study this, but none enable fully-coupled simulations leveraging open-source tools. To address this, a time-domain VIV model has been successfully implemented into the open-source mooring dynamics model MoorDyn. The semi-empirical VIV model describes a lift force acting on segments of a flexible cylinder, making it well suited for implementation into MoorDyn. The new capability successfully predicted the frequencies and magnitudes of strain in both steady and oscillating flows when compared to the original validation results and matched peak spectral response when compared to experimental results, verifying successful implementation. MoorDyn with VIV was then leveraged to simulate a 15 MW floating turbine with a dynamic power cable in the Gulf of Maine using OpenFAST for six return periods of combined wind, wave, and current conditions. Increased curvature and tension fluctuations in higher flow speeds were observed when simulating VIV. Maximum tensions and curvatures also increased, with the 500 year conditions violating the curvature factor of safety of 2.0. These results highlight the importance of considering VIV when designing dynamic power cables for the Gulf of Maine, and indicate that cost effective mitigation strategies should be explored for the area. They also demonstrate the utility of this new modeling capability, which provides the first open-source tool for fully coupled time-domain floating offshore wind simulations with dynamic power cable VIV.

17 WIND ENERGY↗
DOE OSTI2022

Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor

Inhibition of the SARS-CoV-2 main protease (M pro ) is a major focus of drug discovery efforts against COVID-19. Here we report a hit expansion of non-covalent inhibitors of M pro . Starting from a recently discovered scaffold (The COVID Moonshot Consortium. Open Science Discovery of Oral Non-Covalent SARS-CoV-2 Main Protease Inhibitor Therapeutics. bioRxiv 2020.10.29.339317) represented by an isoquinoline series, we searched a database of over a billion compounds using a cheminformatics molecular fingerprinting approach. We identified and tested 48 compounds in enzyme inhibition assays, of which 21 exhibited inhibitory activity above 50% at 20 μM. Among these, four compounds with IC 50 values around 1 μM were found. Interestingly, despite the large search space, the isoquinolone motif was conserved in each of these four strongest binders. Room-temperature X-ray structures of co-crystallized protein–inhibitor complexes were determined up to 1.9 Å resolution for two of these compounds as well as one of the stronger inhibitors in the original isoquinoline series, revealing essential interactions with the binding site and water molecules. Molecular dynamics simulations and quantum chemical calculations further elucidate the binding interactions as well as electrostatic effects on ligand binding. The results help explain the strength of this new non-covalent scaffold for M pro inhibition and inform lead optimization efforts for this series, while demonstrating the effectiveness of a high-throughput computational approach to expanding a pharmacophore library.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Acoustic Emission Measurement of a Wind Turbine Main Bearing

This report described acoustic emissions and temperature characteristics of a commercial main bearing in a wind turbine drivetrain. These characteristics were measured on the outer ring of the bearing by SKF DVST nodes, which are mounted on both upwind and downwind rows of the main bearing at four equally spaced circumferential locations. The measurement started in early 2018 and ends in 2020 and five-month data in 2018 winter was analyzed in this study.

17 WIND ENERGY↗
DOE OSTI2023

Social Acceptance of a Reduced-Footprint Synthetic Mooring System for Floating Offshore Wind Turbines in the Gulf of Maine

Engineers are looking to reduce the size of floating offshore wind mooring footprints to minimize conflict with other ocean users. To this end, the University of Maine (UMaine) received funding from the United States Department of Energy (DOE) to design, demonstrate, and validate a novel reduced-footprint synthetic mooring system for floating offshore wind turbines (FOWTs) that reduces impacts to fisheries and the levelized cost of energy. UMaine designed two mooring systems for the New England Aqua Ventus (NEAV) I demonstration project to quantify the technical, economic, and social impacts of a reduced-footprint hybrid mooring system. Specifically, a traditional catenary chain mooring system and a novel polyester rope-chain hybrid system were designed to the front-end engineering design level for this assessment. The National Renewable Energy Laboratory (NREL) was funded by DOE to help independently quantify the social and techno-economic impacts of the rope-chain hybrid mooring system designed by UMaine. This report focuses on NREL's assessment of the social acceptance of the reduced-footprint rope-chain hybrid mooring system and the conventional all-chain mooring system by competing users in the Gulf of Maine.

ENGINEERING,WIND ENERGY↗
DOE OSTI2021

Characterizing the X-Ray Emission of Intermediate-mass Pre-main-sequence Stars

We use X-ray and infrared observations to study the properties of three classes of young stars in the Carina Nebula: intermediate-mass (2–5 M {sub ⊙}) pre-main-sequence stars (IMPS; i.e., intermediate-mass T Tauri stars), late-B and A stars on the zero-age main sequence (AB), and lower-mass T Tauri stars (TTS). We divide our sources among these three subclassifications and further identify disk-bearing young stellar objects versus diskless sources with no detectable infrared (IR) excess emission using IR (1–8 μm) spectral energy distribution modeling. We then perform X-ray spectral fitting to determine the hydrogen-absorbing column density (N {sub H}), absorption-corrected X-ray luminosity (L {sub X}), and coronal plasma temperature (kT) for each source. We find that the X-ray spectra of both IMPS and TTS are characterized by similar kT and N {sub H}, and on average L {sub X}/L {sub bol} ~ 4 × 10{sup -4}. IMPS are systematically more luminous in X-rays (by ~0.3 dex) than all other subclassifications, with median L {sub X} = 2.5 × 10{sup 31} erg s{sup -1}, while AB stars of similar masses have X-ray emission consistent with TTS companions. These lines of evidence converge on a magnetocoronal flaring source for IMPS X-ray emission, a scaled-up version of the TTS emission mechanism. IMPS therefore provide powerful probes of isochronal ages for the first ~10 Myr in the evolution of a massive stellar population, because their intrinsic, coronal X-ray emission decays rapidly after they commence evolving along radiative tracks. We suggest that the most luminous (in both X-rays and IR) IMPS could be used to place empirical constraints on the location of the intermediate-mass stellar birth line.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Operating Conditions of a Main Bearing Contact in a Commercial Wind Turbine

This presentation described acoustic emissions and temperature characteristics of a commercial main bearing in a wind turbine drivetrain. These characteristics were measured on the outer ring of the bearing by SKF DVST nodes, which are mounted on both upwind and downwind rows of the main bearing at four equally spaced circumferential locations. The measurement started in early 2018 and ends in 2020 and five-month data in 2018 winter was analyzed in this study.

acoustic emission↗
DOE OSTI2022

The 2017 Pohang, South Korea, Mw 5.4 main shock was either natural or triggered, but not induced

Understanding the cause of the November 2017 Pohang main shock is of considerable importance to the future of the geothermal industry because of its large magnitude compared to prior expectations based on case histories of other projects involving underground fluid injection. Of the three possibilities – induced, triggered or natural, “induced” can be ruled out based on the disproportionately large seismic moment of the main shock. Furthermore, whether natural or triggered, the source of seismic hazard at Pohang was tectonic strain accumulation, not fluid injection. Arguably, the most timely indicator of seismic hazard and risk in the environs of Pohang was the September 2016 Mw 5.4 Gyeongju earthquake, which was natural and located about 40 km south of Pohang along the same active fault system.

58 GEOSCIENCES↗
DOE OSTI2021

Olefin oligomerization by main group Ga 3+ and Zn 2+ single site catalysts on SiO 2

In heterogeneous catalysis, olefin oligomerization is typically performed on immobilized transition metal ions, such as Ni 2+ and Cr 3+ . Here we report that silica-supported, single site catalysts containing immobilized, main group Zn 2+ and Ga 3+ ion sites catalyze ethylene and propylene oligomerization to an equilibrium distribution of linear olefins with rates similar to that of Ni 2+ . The molecular weight distribution of products formed on Zn 2+ is similar to Ni 2+ , while Ga 3+ forms higher molecular weight olefins. In situ spectroscopic and computational studies suggest that oligomerization unexpectedly occurs by the Cossee-Arlman mechanism via metal hydride and metal alkyl intermediates formed during olefin insertion and β-hydride elimination elementary steps. Initiation of the catalytic cycle is proposed to occur by heterolytic C-H dissociation of ethylene, which occurs at about 250 °C where oligomerization is catalytically relevant. This work illuminates new chemistry for main group metal catalysts with potential for development of new oligomerization processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Ferricyanide photo-aquation pathway revealed by combined femtosecond Kβ main line and valence-to-core x-ray emission spectroscopy

Reliably identifying short-lived chemical reaction intermediates is crucial to elucidate reaction mechanisms but becomes particularly challenging when multiple transient species occur simultaneously. Here, we report a femtosecond x-ray emission spectroscopy and scattering study of the aqueous ferricyanide photochemistry, utilizing the combined Fe Kβ main and valence-to-core emission lines. Following UV-excitation, we observe a ligand-to-metal charge transfer excited state that decays within 0.5 ps. On this timescale, we also detect a hitherto unobserved short-lived species that we assign to a ferric penta-coordinate intermediate of the photo-aquation reaction. We provide evidence that bond photolysis occurs from reactive metal-centered excited states that are populated through relaxation of the charge transfer excited state. Beyond illuminating the elusive ferricyanide photochemistry, these results show how current limitations of Kβ main line analysis in assigning ultrafast reaction intermediates can be circumvented by simultaneously using the valence-to-core spectral range.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain

The monomeric catalytic domain (residues 1–199) of SARS-CoV-2 main protease (MPro 1-199 ) fused to 25 amino acids of its flanking nsp4 region mediates its autoprocessing at the nsp4-MPro 1-199 junction. We report the catalytic activity and the dissociation constants of MPro 1-199 and its analogs with the covalent inhibitors GC373 and nirmatrelvir (NMV), and the estimated monomer-dimer equilibrium constants of these complexes. Mass spectrometry indicates the presence of the accumulated adduct of NMV bound to MPro WT and MPro 1-199 and not of GC373. A room temperature crystal structure reveals a native-like fold of the catalytic domain with an unwound oxyanion loop (E state). In contrast, the structure of a covalent complex of the catalytic domain-GC373 or NMV shows an oxyanion loop conformation (E* state) resembling the full-length mature dimer. These results suggest that the E-E* equilibrium modulates autoprocessing of the main protease when converting from a monomeric polyprotein precursor to the mature dimer.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Evidence on the effects of main-chamber neutrals on density shoulder broadening

Evidence that density shoulder broadening is dependent on high main-chamber neutral density is presented. Shoulder broadening does not occur when the sources for main-chamber neutrals are minimized using divertor baffles and wide gaps to the first wall (~3× the density decay length). Removing the baffles or reducing the gap to the inner wall both act to increase the density shoulder amplitude in otherwise identical TCV discharges. Radial turbulent transport is correlated with shoulder amplitude.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Inference of main ion particle transport coefficients with experimentally constrained neutral ionization during edge localized mode recovery on DIII-D

Abstract The plasma and neutral density dynamics after an edge localized mode are investigated and utilized to infer the plasma transport coefficients for the density pedestal. The Lyman-Alpha Measurement Apparatus (LLAMA) diagnostic provides sub-millisecond profile measurements of the ionization and neutral density and shows significant poloidal asymmetries in both. Exploiting the absolute calibration of the LLAMA diagnostic allows quantitative comparison to the electron and main ion density profiles determined by charge-exchange recombination, Thomson scattering and interferometry. Separation of diffusion and convection contributions to the density pedestal transport are investigated through flux gradient methods and time-dependent forward modeling with Bayesian inference by adaptation of the Aurora transport code and IMPRAD framework to main ion particle transport. Both methods suggest time-dependent transport coefficients and are consistent with an inward particle pinch on the order of 1 m s −1 and diffusion coefficient of 0.05 m 2 s −1 in the steep density gradient region of the pedestal. While it is possible to recreate the experimentally observed phenomena with no pinch in the pedestal, low diffusion in the core and high outward convection in the near scrape-off layer are required without an inward pedestal pinch.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Stars in the local galactic thick disc and halo in Gaia EDR3: a catalogue of half a million local main-sequence stars with photometric metallicities

We present a catalogue of 551 214 main-sequence stars in the local (d < 2 kpc) Galactic thick disc and halo, based on a search of stars with large proper motions ($\mu _{\rm tot} \gt 40.0~\rm mas\, yr^{-1}$) in the Gaia Early Data Release 3. We derive photometric metallicity calibrated from the colour–luminosity–metallicity distribution of 20 047 stars with spectroscopic metallicities, collected from various spectroscopic surveys, including SDSS SEGUE/APOGEE, GALAH DR3, and LAMOST DR6. We combine these results to construct an empirical colour–magnitude–metallicity grid, which can be used to estimate photometric metallicities for low-mass metal-poor stars of K and M subtypes from their absolute G magnitude and colour values. We find that low-mass, high-velocity stars in our catalogue share similar kinematics as reported in recent studies of more luminous Galactic halo stars. The pseudo-kinematic analysis of our sample recovers the main local halo structures, including the Gaia–Enceladus Stream and the Helmi stream; aside from these, the local halo stars appear to show a remarkably smooth distribution in velocity space. Since the future Gaia data release will provide radial velocity measurements for only a small number of our sample, our catalogue provides targets of high interest for the future spectroscopic observation programs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

The ALMaQUEST survey IX: the nature of the resolved star forming main sequence

ABSTRACT We investigate the nature of the scaling relations between the surface density of star formation rate (ΣSFR), stellar mass (Σ*), and molecular gas mass ($\Sigma _{\rm H_2}$), aiming at distinguishing between the relations that are primary, i.e. more fundamental, and those which are instead an indirect by-product of the other relations. We use the ALMA-MaNGA QUEnching and STar formation survey and analyse the data by using both partial correlations and random forest regression techniques. We unambiguously find that the strongest intrinsic correlation is between ΣSFR and $\Sigma _{\rm H_2}$ (i.e. the resolved Schmidt–Kennicutt relation), followed by the correlation between $\Sigma _{\rm H_2}$ and Σ* (resolved molecular gas main sequence, rMGMS). Once these two correlations are taken into account, we find that there is no evidence for any intrinsic correlation between ΣSFR and Σ*, implying that star formation rate (SFR) is entirely driven by the amount of molecular gas, while its dependence on stellar mass (i.e. the resolved star forming main sequence, rSFMS) simply emerges as a consequence of the relationship between molecular gas and stellar mass.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Two-dimensional simulations of internal gravity waves in a $\mathrm{5M_⊙}$ zero-age-main-sequence model

Main-sequence intermediate-mass stars present a radiative envelope that supports internal gravity waves (IGWs). Excited at the boundary with the convective core, IGWs propagate towards the stellar surface and are suspected to impact physical processes such as rotation and chemical mixing. Using the fully compressible time-implicit code MUSIC, we study IGWs in two-dimensional simulations of a zero-age-main-sequence 5 solar mass star model up to 91 percent of the stellar radius with different luminosity and radiative diffusivity enhancements. Our results show that low-frequency waves excited by core convection are strongly impacted by radiative effects as they propagate. This impact depends on the radial profile of radiative diffusivity which increases by almost 5 orders of magnitude between the centre of the star and the top of the simulation domain. In the upper layers of the simulation domain, we observe an increase of the temperature. Our study suggests that this is due to heat added in these layers by IGWs damped by radiative diffusion. We show that non-linear effects linked to large amplitude IGWs may be relevant just above the convective core. Both these effects are intensified by the artificial enhancement of the luminosity and radiative diffusivity, with enhancement factors up to 10 4 times the realistic values. Our results also highlight that direct comparison between numerical simulations with enhanced luminosity and observations must be made with caution. Finally, our work suggests that thermal effects linked to the damping of IGWs could have a non-negligible impact on stellar structure.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Bioinformatics and 3D Structural Analysis of the Coronavirus Main Protease Active Site Diversity

Coronaviruses (Coronaviridae) such as SARS‐CoV‐2 (severe acute respiratory syndrome coronavirus) and MERS‐CoV (Middle East respiratory syndrome coronavirus) have been the source of recent outbreaks and global health concerns. While vaccines have been essential for controlling the SARS‐CoV‐2 (COVID‐19) pandemic, it is uncertain whether they will be effective against future coronavirus strains. Therefore, identification or design of a broad‐spectrum drug that targets highly conserved regions of the main protease of multiple coronavirus strains is essential in the long term. As part of a virtual summer research experience with the RCSB PDB, bioinformatics tools were employed to predict and construct 3D models of the coronavirus main protease (MPro) using SARS‐CoV‐2 as the template, with a focus on mutational trends and active sites. This study focused on the active sites of MPro, a cysteine protease essential for viral assembly and replication. Sequence alignments and structure modeling of MPro structures has identified conserved regions across multiple coronavirus strains. Inhibition of MPro halts coronavirus replication, making it an ideal drug target, and studies of MPro may foster and accelerate the discovery of high affinity broad‐spectrum drugs.

Wu Wu, Amy↗
DOE OSTI2022

Study on Conduction Cooling of Superconducting Magnets for the ILC Main Linac

In the main linac of the International Linear Collider (ILC), superconducting magnets for beam focusing and steering will be located periodically in superconducting RF (SRF) cavity string for beam acceleration in common cryomodules. A concept of conduction cooling of the combined-functioned, splittable superconducting magnets has been proposed and investigated to adapt much different features and to meet different requirements for the superconducting magnet and SRF cavity in fabrication, assembly, and operation. It is required to integrate the superconducting magnet after the SRF cavity string assembly which completed under an ultra-clean environment. The magnet must be conductively cooled down through thermal links to a liquid helium supply pipe. According to this concept, a model magnet development was carried out in cooperation with Fermilab and KEK, and has been demonstrated in KEK superconducting RF test facility (STF). In addition, an important issue has been recently identified. High gradient SRF cavities naturally emit field emission electron flux from the inner surface, so-called dark current. It may pass through the subsequent SRF cavity string and penetrate into the superconducting magnets placed downstream. It may heat up the superconducting coils, and may cause a quench. Therefore, further study on reliable conduction cooling and to secure the superconducting magnet operation with a keeping sufficient safety margin is quite essential. In this paper, we report the installation, the improvement achieved in STF, and the R&D progress in the study on the conduction cooling of the superconducting magnet for the ILC main linac.

43 PARTICLE ACCELERATORS↗