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At least 379 records · Page 21

The present state of using RDT in turbulence modelling of unsteady flows

The dissipation transport equation should not be based upon the local-equilibrium hypothesis, but should instead be based upon the rapid-distortion hypothesis. A differential equation to describe this situation is not currently available. An investigation of this topic is presented in viewgraph form.

Mankbadi, Reda R.↗

Middle atmospheric electrodynamic modification by particle precipitation at the South Atlantic magnetic anomaly

Evidence for a localized middle atmospheric electrodynamic modification at low latitudes (southern Brazilian coast) of the South Atlantic Magnetic Anomaly (SAMA), in association with enhanced geomagnetic activity, are presented in a unified way combining recent observational efforts and related numerical studies. They involve a distortion effect in the fair weather electric field at balloon altitudes. This effect is attributed to a local intensification of energetic electron precipitation through a related middle atmospheric ionization enhancement and is elucidated by numeric simulation. From the electric field measurements and the numeric simulation, the intensification of precipitation is considered to occur in fairly narrow regions at the observed low L values (around L = 1.13) of the SAMA, with horizontal extensions of the order of a few hundred kilometers. A physical mechanism that could be responsible for this sort of intensification is suggested. Furthermore, a comparison of the phenomenon of middle atmospheric electrodynamic modification at the SAMA with a similar one at auroral latitudes, in response to enhanced solar and geomagnetic activity, is also given.

Gonzalez, W. D.↗

Electronic coarse-graining of long conjugated molecules: Case study of non-fullerene acceptors

By considering only one electronic state per molecule, charge transport models of molecular solids neglect intramolecular charge transfer. This approximation excludes materials with quasi-degenerate spatially separated frontier orbitals, such as non-fullerene acceptors (NFAs) and symmetric thermally activated delayed fluorescence emitters. By analyzing the electronic structure of room-temperature molecular conformers of a prototypical NFA, ITIC-4F, we conclude that the electron is localized on one of the two acceptor blocks with the mean intramolecular transfer integral of 120 meV, which is comparable with intermolecular couplings. Therefore, the minimal basis for acceptor–donor–acceptor (A–D–A) molecules consists of two molecular orbitals localized on the acceptor blocks. This basis is robust even with respect to geometry distortions in an amorphous solid, in contrast to the basis of two lowest unoccupied canonical molecular orbitals withstanding only thermal fluctuations in a crystal. The charge carrier mobility can be underestimated by a factor of two when using single site approximation for A–D–A molecules in their typical crystalline packings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Calorimeter Heat Flux Trends in NASA’s Subscale Rotating Detonation Rocket Engine

A calorimeter-style rotating detonation rocket engine (RDRE) outer chamber body was designed, additively manufactured in GRCop-42, and hot-fire tested in test cell 105 at NASA Marshall Space Flight Center (MSFC) in Huntsville, AL in August 2024. Steady-state, spatially resolved heat flux and chamber pressure were measured at 13 and 9 locations from the injector face, respectively, for a variety of test conditions and hardware configurations with gaseous methane and oxygen propellants. The 2-in. diameter highly instrumented design, enabled by metal additive manufacturing (AM), allowed for simultaneous measurement of heat flux and chamber pressure through 44 long duration hot-fire tests without failure. Of the 44 tests, only 3 of the tests featured chamber pressures below 100 psia and are discussed in this work. Heat flux trends for this subscale hardware are explored with respect to local propellant mass flux for several different injectors, chamber lengths, and chamber “subsonic” area ratios (contraction ratios). Results show that for increasing chamber pressure, a reduced amount of energy per kilogram of propellant is transferred to the wall. Switching injectors affects the near-face heat flux and chamber pressure profiles. Chamber length does not noticeably affect the heat flux profile but increases bulk heat load. A subsonic area ratio greater than 1 reduces heat losses to the wall compared to a straight annulus case. Equivalence ratio shift did not significantly affect heat flux. Computational fluid dynamics (CFD) and conjugate heat transfer (CHT) analyses were performed to delineate 3-D heat transfer and coolant mass flow maldistribution effects and create a calorimeter transfer function to transform heat flux data and mitigate the profile distortions. Additional CFD/CHT simulations were performed using experimental data as boundary conditions to assess local nucleate boiling propensity during testing and to assess projected hot wall temperatures for future fatigue assessment. Vapor fractions were observed locally for several cases. It is anticipated that this effort will provide a common framework for coolant system design/analysis in calorimeter systems for rocket-based and air-breathing combustors, ensuring greater repeatability in calorimetry measurements across the research community.

Joseph Hernandez-McCloskey↗

Tunning the linkage of structure units to enable stable spinel-based cathode in the wide potential window

The low practical capacity (<140 mA h g –1 ) of spinel phase LiMn 2–x Ni x O 4 (0 < x < 1) excludes it from high energy density lithium ion batteries (LIBs) for powering electric vehicles. Extending the operating potential window from 3.0 to 4.8 V to 2.0–4.8 V can double the capacity, but result in fast capacity decay due to the drastic cubic-tetragonal phase transition below 3.0 V, induced by serious Jahn-Teller (J-T) distortion of structure units (Mn 3+ )O 6 octahedra. Herein, we propose a novel strategy to suppress J-T distortion by tuning the linkage of structure units MnO 6 octahedra. The original full-vertex-sharing LiO 4 tetrahedra around MnO 6 octahedra in spinel phase are partially replaced by edge-sharing LiO 6 octahedra, which relate Mn-O bonds along the dz 2 direction with those along the d xy plane, thus significantly mitigating J-T distortion and suppressing the phase transition when discharged to 2.0 V. Following this strategy, the prepared spinel-based cathode achieves a high reversible capacity of about 290 mA h g –1 and an energy density up to 957 W h kg –1 with improved cycling stability. Furthermore, this work finds a new opportunity for the traditional spinel cathode towards applications in high energy density LIBs in a low cost and sustainable manner.

25 ENERGY STORAGE↗

Systematic Assessment of Retrieval Methods for Canopy Far-Red Solar-Induced Chlorophyll Fluorescence Using High-Frequency Automated Field Spectroscopy

Remote sensing of solar-induced chlorophyll fluorescence (SIF) offers potential to infer photosynthesis across scales and biomes. Many retrieval methods have been developed to estimate top-of-canopy SIF using ground-based spectroscopy. However, inconsistencies among methods may confound interpretation of SIF dynamics, eco-physiological/environmental drivers, and its relationship with photosynthesis. Using high temporal- and spectral resolution ground-based spectroscopy, we aimed to (1) evaluate performance of SIF retrieval methods under diverse sky conditions using continuous field measurements; (2) assess method sensitivity to fluctuating light, reflectance, and fluorescence emission spectra; and (3) inform users for optimal ground-based SIF retrieval. Analysis included field measurements from bi-hemispherical and hemispherical-conical systems and synthetic upwelling radiance constructed from measured downwelling radiance, simulated reflectance, and simulated fluorescence for benchmarking. Fraunhofer-based differential optical absorption spectroscopy (DOAS) and singular vector decomposition (SVD) retrievals exhibit convergent SIF-PAR relationships and diurnal consistency across different sky conditions, while O2A-based spectral fitting method (SFM), SVD, and modified Fraunhofer line discrimination (3FLD) exhibit divergent SIF-PAR relationships across sky conditions. We find that such behavior holds across system configurations, though hemispherical-conical systems diverge less across sky conditions. O 2 A retrieval accuracy, influenced by atmospheric distortion, improves with a narrower fitting window and when training SVD with temporally local spectra. This may impact SIF-photosynthesis relationships interpreted by previous studies using O 2 A-based retrievals with standard (759–767.76 nm) fitting windows. Fraunhofer-based retrievals resist atmospheric impacts but are noisier and more sensitive to assumed SIF spectral shape than O 2 A-based retrievals. We recommend SVD or SFM using reduced fitting window (759.5–761.5 nm) for robust far-red SIF retrievals across sky conditions.

59 BASIC BIOLOGICAL SCIENCES↗

Long-Length SiC/SiC Tube Irradiation Experiment at LWR Temperatures Inserted into HFIR

This report describes the pre-irradiation characterization and successful assembly of a High Flux Isotope Reactor (HFIR) irradiation experiment designed to assess radiation-induced lateral bowing of silicon carbide fiber–reinforced, silicon carbide matrix composite (SiC/SiC) components under a radial fast neutron flux gradient at representative light-water reactor (LWR) temperatures of approximately 300 °C. The over-arching goal of this work is to validate thermomechanical models of SiC/SiC composite fuel assembly distortion used to predict the extent of lateral bowing and dose at which bowing reaches a maximum value. Ultimately, these models are used to ensure that fuel assembly distortion does not block coolant channels, interfere with control rod/blade movements, and/or impact local reactivity. The experiment contains six cladding tube specimens that are approximately 558.5 mm long with representative pressurized water reactor (PWR) outer and inner diameters of 9.5 mm and 7.5 mm, respectively. The specimens were thoroughly characterized prior to irradiation using traditional dimensional inspection and surface profilometry so that these measurements can later be compared with similar measurements that will be made post-irradiation to determine radiation-induced deformations. Furthermore, fine engraving markers were inscribed along the outer surfaces of the specimen and mapped using analytic photography and a three-dimensional stage. This technique allowed for accurate measurements of the marker spacings, which can be compared with similar measurements that will be made post-irradiation to provide local radiation-induced strain mapping. A light curtain optical micrometer was also employed to measure the pre-irradiation bowing of each specimen. The experiment was successfully assembled and inserted into position VXF-19 for HFIR cycle 516, which began May 12, 2026. The experiment will be removed after cycle 519, which is currently scheduled to end in December 2026.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Synthesis, Crystal and Electronic Structures, Nonlinear Optical Properties, and Magnetic Properties of Two Thiophosphates: KInP 2 S 7 and KCrP 2 S 7

Two thiophosphates, KInP 2 S 7 and KCrP 2 S 7 , were structurally characterized without investigating any optical properties. Herein in this work, KInP 2 S 7 and KCrP 2 S 7 were revisited to investigate their optical and magnetic properties, respectively. Pure polycrystalline samples and crystals of KInP 2 S 7 and KCrP 2 S 7 were grown by high temperature solid state reactions, where mm-sized crystals of KCrP 2 S 7 were collected. KCrP 2 S 7 is isostructural to KInP 2 S 7 , which features a layered structure. KInP 2 S 7 and KCrP 2 S 7 possess close relationship to the layered thiophosphate M 2 P 2 S 6 (M = Fe, Co, Zn, etc.). The bonding pictures of KInP 2 S 7 were studied using the electron localization function (ELF) coupled with crystal orbital Hamilton population (COHP) calculations. The intrinsically distorted [PS 4 ] tetrahedra and [InS 6 ] octahedra are made by strong covalent P-S interactions and ionic In-S interactions, respectively. Electronic structure analysis confirmed that the optical properties of KInP 2 S 7 are mainly contributed to by [PS 4 ] tetrahedra together with small amounts of the contributions coming from [InS 6 ] octahedra. Magnetic measurement on mm-sized crystals of KCrP 2 S 7 verified that there is an antiferromagnetic transition around 21 K, and the Cr atoms are trivalent. KInP 2 S 7 is predicated to be an indirect bandgap semiconductor of 2.38 eV, which is confirmed by the UV-Vis measurement of 2.4(1) eV. KInP 2 S 7 is not a type-I phase-matching material and exhibits moderate second harmonic generation (SHG) response (0.51 × AgGaS 2 , sample of particle size of 100 µm). The laser damage threshold (LDT) of KInP 2 S 7 is very high of 5.2 × AgGaS 2 . Bandgap engineering were undergone to enhance the SHG response of KInP 2 S 7 .

36 MATERIALS SCIENCE↗

Digital image registration method based upon binary boundary maps

A relatively fast method is presented for matching or registering the digital data of imagery from the same ground scene acquired at different times, or from different multispectral images, sensors, or both. It is assumed that the digital images can be registed by using translations and rotations only, that the images are of the same scale, and that little or no distortion exists between images. It is further assumed that by working with several local areas of the image, the rotational effects in the local areas can be neglected. Thus, by treating the misalignments of local areas as translations, it is possible to determine rotational and translational misalignments for a larger portion of the image containing the local areas. This procedure of determining the misalignment and then registering the data according to the misalignment can be repeated until the desired degree of registration is achieved. The method to be presented is based upon the use of binary boundary maps produced from the raw digital imagery rather than the raw digital data.

Jayroe, R. R., Jr.↗

Preliminary investigation of the electrodynamics of a conducting tether

An introductory study of the properties of an electrically conducting tether flown from the shuttle is presented. Only a single configuration is considered: a vertical conductor moving normally across the Earth's field, connecting the shuttle to a large conducting balloon that passively extracts electrons from the ionosphere. The distortions in the plasma at maximum current collection are described, as are the local and distant wakes. Numerical values are given.

Thompson, W. B.↗

A post-processing system for automated rectification and registration of spaceborne SAR imagery

An automated post-processing system has been developed that interfaces with the raw image output of the operational digital SAR correlator. This system is designed for optimal efficiency by using advanced signal processing hardware and an algorithm that requires no operator interaction, such as the determination of ground control points. The standard output is a geocoded image product (i.e. resampled to a specified map projection). The system is capable of producing multiframe mosaics for large-scale mapping by combining images in both the along-track direction and adjacent cross-track swaths from ascending and descending passes over the same target area. The output products have absolute location uncertainty of less than 50 m and relative distortion (scale factor and skew) of less than 0.1 per cent relative to local variations from the assumed geoid.

Curlander, John C.↗

Unsteady surface pressure distributions on a delta wing undergoing large amplitude pitching motions

Wind tunnel experiments were performed on a 70-deg-sweep delta wing to determine the effect of a sinusoidal pitching motion on the pressure field on the suction side of the wing. Pressure taps were placed from 35-90 percent of the chord, at 60 percent of the local semi-span. Pressure coefficients were measured as functions of Reynolds number and pitch rate. The surface pressure distribution was seen to vary at the same frequency as the pitching frequency, though distortion due to the vortex breakdown was observed. Comparing the upstroke (angle of attack increasing) and downstroke (angle of attack decreasing) pressures for a specific angle of attack, a time lag in the pressure distribution was observed. The downstroke pressures were slightly larger at the forward chord locations. Vortex breakdown was seen to have the most significant effect at the 40-45-percent chord location, where an increase in local pressure was apparent, as well as a distortion of the periodic pressure fluctuation.

Thompson, S. A.↗

Imaginary phonon modes and phonon-mediated superconductivity in Y 2 C 3

For Y 2 C 3 with a superconducting critical temperature ($T_c$) ~18 K, zone-center imaginary optical phonon modes have been found for the high-symmetry I-43d structure due to C dimer wobbling motion and electronic instability from a flat band near Fermi energy. After lattice distortion to the more stable lowest-symmetry P1 structure, these stabilized low-energy phonon modes with a mixed C and Y character carry a strong electronphonon coupling to give rise to the observed sizable $T_c$. Our work shows that compounds with the calculated dynamical instability should not be simply excluded in the high-throughput search for new phonon-mediated superconductors. Moreover, we have studied the phase stability of the I-43d structure by calculating the enthalpy of different structural motifs of binary compounds containing group-IV elements at the 2:3 composition and also exploring the energy landscapes via ab initio molecular dynamics near and out of the I-43d structure. Here, our results show that the I-43d-type structures with C dimers are preferred in the low to medium pressure range. Because of the wobbling motion of the C dimers, there are many local energy minimums with degenerated energies. Thus, the ensemble average of many I-43d-distorted structures with C dimer wobbling motion at finite temperature still gives an overall I-43d structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structural Evolution and Photoluminescence Quenching across the FASnI 3– x Br x ( x = 0–3) Perovskites

One of the primary methods for band gap tuning in metal halide perovskites has been halide (I/Br) mixing. Despite widespread usage of this type of chemical substitution in perovskite photovoltaics, there is still little understanding of the structural impacts of halide alloying, with the assumption being the formation of ideal solid solutions. The FASnI 3–x Br x (x = 0–3) family of compounds provides the first example where the assumption breaks down, as the composition space is broken into two unique regimes (x = 0–2.9; x = 2.9–3) based on their average structure with the former having a 3D and the latter having an extended 3D (pseudo 0D) structure. Pair distribution function (PDF) analyses further suggest a dynamic 5s 2 lone pair expression resulting in increasing levels of off-centering of the central Sn as the Br concentration is increased. These antiferroelectric distortions indicate that even the x = 0–2.9 phase space behaves as a nonideal solid-solution on a more local scale. Solid-state NMR confirms the difference in local structure yielding greater insight into the chemical nature and local distributions of the FA + cation. In contrast to the FAPbI 3–x Br x series, a drastic photoluminescence (PL) quenching is observed with x ≥ 1.9 compounds having no observable PL. In conclusion, our detailed studies attribute this quenching to structural transitions induced by the distortions of the [SnBr 6 ] octahedra in response to stereochemically expressed lone pairs of electrons. This is confirmed through density functional theory, having a direct impact on the electronic structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Stability and magnetic behavior of exfoliable nanowire one-dimensional materials

Low-dimensional materials can display enhanced electronic, magnetic, and quantum properties. Here we use the topological scaling algorithm to identify all sufficiently metastable materials in the Materials Project database to identify bulk crystals with one-dimensional (1D) structural motifs: Five hundred fifty-one crystals that are within 50 meV atom –1 of the thermodynamic hull display 1D motifs, where 293 of these contain d-valence elements, which we focus on in this work. After exfoliating nanowires from 263 of these materials and calculating their thermodynamic stability using density functional theory, 103 nanowires meet per-atom and per-Ångström thermodynamic stability criteria. We illustrate for three nanowire systems that a variety of local minima can be present in these systems, demonstrating one case of a Peierls distortion. The wires display a broad diversity of electronic and magnetic properties of these nanowires, with 14 metals, 7 half-metals, and 82 semiconductors and insulators, and 41 nanowires displaying magnetic moments ranging from 0.1 to 5μ B per d-valence species when assuming ferromagnetic order. A subset of these chains are investigated for the impact of magnetic ordering, identifying 1D FeCl 3 to be most stable in an antiferromagnetic state. The electronic and magnetic properties of the identified 1D materials could enable applications in spintronic and quantum devices.

36 MATERIALS SCIENCE↗

Three-dimensional numerical simulation of gradual opening in a wave rotor passage

The evolution of the contact interface and the propagation of compression waves inside a single wave rotor passage gradually opening to and traversing an inlet port is studied numerically using an inviscid formulation of the governing equations. Insights into the response of the interface and kinematics of the flow field to various opening times are given. Since the opening time is inversely proportional to the rotational speed of the rotor, the effects of passage rotation such as centripetal and Coriolis accelerations are intrinsically coupled to the gradual opening process. Certain three-dimensional features associated with the gradual opening process as a result of centripetal and Coriolis accelerations are illustrated. For the range of opening times or rotational speeds considered, a portion of the interface behaves like a vortex sheet that can degenerate into a complex interfacial structure. The vortices produced along the interface can serve as a stirring mechanism to promote local mixing. Coriolis and centripetal accelerations can introduce three dimensional effects such as interfacial distortions in meridional planes and spanwise migration of fluid elements.

Larosiliere, Louis M.↗

Three-dimensional numerical simulation of gradual opening in a wave rotor passage

The evolution of the contact interface and the propagation of compression waves inside a single wave rotor passage gradually opening to and traversing an inlet port is studied numerically using an inviscid formulation of the governing equations. Insights into the response of the interface and kinematics of the flow field to various opening times are given. Since the opening time is inversely proportional to the rotational speed of the rotor, the effects of passage rotation such as centripetal and Coriolis accelerations are intrinsically coupled to the gradual opening process. Certain three-dimensional features associated with the gradual opening process as a result of centripetal and Coriolis accelerations are illustrated. For the range of opening times or rotational speeds considered, a portion of the interface behaves like a vortex sheet that can degenerate into a complex interfacial structure. The vortices produced along the interface can serve as a stirring mechanism to promote local mixing. Coriolis and centripetal accelerations can introduce three dimensional effects such as interfacial distortions in meridional planes and spanwise migration of fluid elements.

Larosiliere, Louis M.↗

Development of Hairpin Vortices in Turbulent Spots and End-Wall Transition

The end-stage phase of boundary layer transition is characterized by the development of hairpin-like vortices which evolve rapidly into patches of turbulent behavior. In general, the characteristics of the evolution form this hairpin stage to the turbulent stage is poorly understood, which has prompted the present experimental examination of hairpin vortex development and growth processes. Two topics of particular relevance to the workshop focus will be covered: 1) the growth of turbulent spots through the generatio and amalgamation of hairpin-like vortices, and 2) the development of hairpin vortices during transition in an end-wall junction flow. Brief summaries of these studies are described below. Using controlled generation of hairpin vortices by surface injection in a critical laminar boundary layer, detailed flow visualization studies have been done of the phases of growth of single hairpin vortices, from the initial hairgin generation, through the systematic generation of secondary hairpin-like flow structures, culminating in the evolution to a turbulent spot. The key to the growth process is strong vortex-surface interactions, which give rise to strong eruptive events adjacent to the surface, which results in the generation of subsequent hairpin vortex structures due to inviscid-viscuous interactions between the eruptive events and the free steam fluid. The general process of vortex-surface fluid interaction, coupled with subsequent interactions and amalgamation of the generated multiple hairpin-type vortices, is demonstrated as a physical mechanism for the growth and development of turbulent spots. When a boundary layer flow along a surface encounters a bluff body obstruction extending from the surface (such as cylinder or wing), the strong adverse pressure gradients generated by these types of flows result in the concentration of the impinging vorticity into a system of discrete vortices near the end-wall juncture of the obstruction, with the extensions of the vortices engirdling the obstruction to form "necklace" or "horseshoe" vortices. Recent hydrogen bubble and particle image visualization have shown that as Reynolds number is increased for a laminar approach flow, the flow will become critical, and a destabilization of the necklace vortices results in the development of an azimuthal waviness, or "kinks", in the vortices. These vortex kinks are accentuated by Biot-Savart effects, causing portions of a distorted necklace vortex to make a rapid approach to the surface, precipitating processes of localized, three-dimensional surface interactions. These interactions result in the rapid generation, focussing, and ejection of thin tongues of surface fluid, which rapidly roll-over and appear as hairpin vortices in the junction region. Subsequent amalgamation of these hairpin vortices with the necklace vortices produces a complex transitional-type flow. A presentation of key results from both these studies will be done, emphasizing both the ubiquity of such hairpin-type flow structures in manifold transitional-type flows, and the importance of vortex-surface interactions n the development of hairpin vortices.

Smith, Charles R.↗