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DOE OSTI2026

Crystallographic registry in epitaxial V3O5 thin films

Crystallographic orientation plays a central role in determining transport properties in correlated oxides with low-hysteresis metal–insulator transitions. Here, V3O5 thin films were grown on Al2O3 (0001) and their crystallographic registry was evaluated using x-ray diffraction and cross-sectional transmission electron microscopy. θ–2θ measurements show a single out-of-plane orientation defined by the (202) reflection. Azimuthal φ-scans of the V3O5 (310) reflection exhibit twelve discrete maxima over 360°, indicating a finite set of in-plane orientations imposed by the substrate symmetry. High-resolution TEM and fast Fourier transform analysis confirm crystallographic coherence at the film–substrate interface. The electrical conductivity exhibits a metal–insulator transition at TMIT ≈ 423 K with no measurable thermal hysteresis and a total change of ~1.6 orders of magnitude between 300 and 480 K. These results establish crystallographic registry in epitaxial V3O5 thin films and provide a structurally well-defined system for future studies of orientation-dependent transport.\r\nT

36 MATERIALS SCIENCE↗

NASA NTRS2011

Characterization of Axial Inducer Cavitation Instabilities via High Speed Video Recordings

Sub-scale water tests were undertaken to assess the viability of utilizing high resolution, high frame-rate digital video recordings of a liquid rocket engine turbopump axial inducer to characterize cavitation instabilities. These high speed video (HSV) images of various cavitation phenomena, including higher order cavitation, rotating cavitation, alternating blade cavitation, and asymmetric cavitation, as well as non-cavitating flows for comparison, were recorded from various orientations through an acrylic tunnel using one and two cameras at digital recording rates ranging from 6,000 to 15,700 frames per second. The physical characteristics of these cavitation forms, including the mechanisms that define the cavitation frequency, were identified. Additionally, these images showed how the cavitation forms changed and transitioned from one type (tip vortex) to another (sheet cavitation) as the inducer boundary conditions (inlet pressures) were changed. Image processing techniques were developed which tracked the formation and collapse of cavitating fluid in a specified target area, both in the temporal and frequency domains, in order to characterize the cavitation instability frequency. The accuracy of the analysis techniques was found to be very dependent on target size for higher order cavitation, but much less so for the other phenomena. Tunnel-mounted piezoelectric, dynamic pressure transducers were present throughout these tests and were used as references in correlating the results obtained by image processing. Results showed good agreement between image processing and dynamic pressure spectral data. The test set-up, test program, and test results including H-Q and suction performance, dynamic environment and cavitation characterization, and image processing techniques and results will be discussed.

Arellano, Patrick↗

DOE OSTI2021

Evolution of magnetic field induced ordering in the layered quantum Heisenberg triangular-lattice antiferromagnet Ba 3 CoSb 2 O 9

Quantum fluctuations in the effective spin-12 layered triangular-lattice quantum Heisenberg antiferromagnet Ba 3 CoSb 2 O 9 lift the classical degeneracy of the antiferromagnetic ground state in magnetic field, producing a series of novel spin structures for magnetic fields applied within the crystallographic ab plane, including a celebrated collinear “up-up-down” spin ordering with magnetization equal to 1/3 of the saturation magnetization over an extended field range. Theoretically unresolved, however, are the effects of interlayer antiferromagnetic coupling and transverse magnetic fields on the ground states of this system. Additional magnetic field induced phase transitions are theoretically expected and in some cases have been experimentally observed, but details regarding their number, location, and physical character appear inconsistent with the predictions of existing models. Conversely, an absence of experimental measurements as a function of magnetic-field orientation has left other key predictions of these models untested. To address these issues, in this study we have used specific heat, neutron diffraction, thermal conductivity, and magnetic torque measurements to map out the phase diagram as a function of magnetic field intensity and orientation relative to the crystallographic ab plane. For H||ab, we have discovered an additional magnetic field induced phase transition at low temperature and an unexpected tetracritical point in the high-field phase diagram, which coupled with the apparent second-order nature of the phase transitions eliminates several theoretically proposed spin structures for the high-field phases. Our calorimetric measurements as a function of magnetic field orientation are in general agreement with theory for field-orientation angles close to plane parallel (H||a) but diverge at angles near plane perpendicular; a predicted convergence of two phase boundaries at finite angle and a corresponding change in the order of the field induced phase transition are not observed experimentally. Our results emphasize the role of interlayer coupling in selecting and stabilizing field induced phases, provide guidance on the nature of the magnetic order in each phase, and reveal the need for new physics to account for the nature of magnetic ordering in this archetypal two-dimensional spin-12 triangular-lattice quantum Heisenberg antiferromagnet.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1973

A simple method for the determination of effective rain cell dimensions and orientation

A simple method is proposed for the determination of effective rain cell dimensions and orientation. Two rain cell models were considered: the circular cell and the elliptical cell. In both models it is assumed that the rain rate is constant throughout the cell, that all cell locations are equally likely, and that the cell dimensions depend upon the rain rate. It is then shown that the effective cell dimensions and orientation may be deduced from rain rate statistics accumulated at two or three closely spaced sites, depending upon the model chosen. The results of this study alone with previous estimates of rain cell dimension indicate that the rain rate measurement points should be spaced on the order of one-half kilometer apart. The proposed method is simple and relatively inexpensive; thus, this approach is readily suited to the study of the dependence of rain cell size and orientation upon climatic region. The resulting rain cell characteristics are of direct value in the prediction of millimeter wavelength attenuation statistics on both single-terminal and diversity earth-space propagation paths as well as point-to-point terrestrial links.

Hodge, D. B.↗

DOE OSTI2022

Highly ordered graphite (HOPG) to hexagonal diamond (lonsdaleite) phase transition observed on picosecond time scales using ultrafast x-ray diffraction

Here, the response of rapidly compressed highly oriented pyrolytic graphite (HOPG) normal to its basal plane was investigated at a pressure of ~80 GPa. Ultrafast x-ray diffraction using ~100 fs pulses at the Materials Under Extreme Conditions sector of the Linac Coherent Light Source was used to probe the changes in crystal structure resulting from picosecond timescale compression at laser drive energies ranging from 2.5 to 250 mJ. A phase transformation from HOPG to a highly textured hexagonal diamond structure is observed at the highest energy, followed by relaxation to a still highly oriented, but distorted graphite structure following release. We observe the formation of a highly oriented lonsdaleite within 20 ps, subsequent to compression. This suggests that a diffusionless martensitic mechanism may play a fundamental role in phase transition, as speculated in an early work on this system, and more recent static studies of diamonds formed in impact events.

58 GEOSCIENCES↗

NASA NTRS1985

A consideration of atomic oxygen interactions with space station

A computer model is developed in order to calculate fluence for a generalized spacecraft in orbital flight based on mass spectrometer and incoherent scatter (MSIS) measurements of ambient density. The calculations are used to identify criteria for the selection of materials for the construction of an LEO Space Station. The model is generalized such that the surfaces for study can be oriented in any direction with respect to: a body coordinate system fixed to the spacecraft (E surfaces); and a solar inertial coordinate system. A parametric study was performed in order to evaluate the effects of altitude, inclination, and solar activity on atomic oxygen fluence. Values are obtained for samples of Mylar, Kevlar, Kapton, Tedlar, Teflon and sulfone, as well as for some ethylene polymers. The range of values for material reactivities is from 360 microns for ram-facing surfaces to 200 microns for solar power surfaces during each cycle of solar activity. The possibility of improving reactivity by employing certain chemical coatings is also discussed.

Leger, L. J.↗

NASA NTRS2008

Wideband radial power combiner/divider fed by a mode transducer

A radial power combiner/divider capable of a higher order (for example, N=24) of power combining/dividing and a 15% bandwidth (31 to 36 GHz). The radial power combiner/divider generally comprises an axially-oriented mode transducer coupled to a radial base. The mode transducer transduces circular TE01 waveguide into rectangular TE10 waveguide, and the unique radial base combines/divides a plurality of peripheral rectangular waveguide ports into a single circular TE01 waveguide end of the transducer. The radial base incorporates full-height waveguides that are stepped down to reduced-height waveguides to form a stepped-impedance configuration, thereby reducing the height of the waveguides inside the base and increasing the order N of combining/dividing. The reduced-height waveguides in the base converge radially to a matching post at the bottom center of the radial base which matches the reduced height rectangular waveguides into the circular waveguide that feeds the mode transducer.

Epp, Larry W.↗

DOE OSTI2023

Range and strength of mechanical interactions of force dipoles in elastic fiber networks

Mechanical forces generated by myosin II molecular motors drive diverse cellular processes, most notably shape change, division and locomotion. These forces may be transmitted over long range through the cytoskeletal medium – a disordered, viscoelastic network of biopolymers. The resulting cell size scale force chains can in principle mediate mechanical interactions between distant actomyosin units, leading to self-organized structural order in the cell cytoskeleton. Inspired by such force transmission through elastic structures in the cytoskeleton, we consider a percolated fiber lattice network, where fibers are represented as linear elastic elements that can both bend and stretch, and the contractile activity of myosin motors is represented by force dipoles. Then, by using a variety of metrics, we show how two such contractile force dipoles interact with each other through their mutual mechanical deformations of the elastic fiber network. As a prelude to two-dipole interactions, we quantify how forces propagate through the network from a single anisotropic force dipole by analyzing clusters of nodes connected by highly strained bonds, as well as through the decay rate of strain energy with distance from a force dipole. We show that predominant fiber bending screens out force propagation, resulting in reduced and strongly network configuration-dependent dipole interactions. On the other hand, stretching-dominated networks support longer-ranged inter-dipole interactions that recapitulate the predictions of linear elasticity theory. By characterizing the differences between tensile and compressive force propagation in the fiber network, we show how inter-dipole interaction depends on the dipoles’ mutual separation and orientation. The resulting elastic interaction energy may mediate a force between multiple distant dipoles, leading to their self-organization into ordered configurations. In conclusion, this provides a potential pathway for active mechanical force-driven structural order in elastic biopolymer networks.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Anisotropic temperature-dependent elastic constants and thermal conductivities of TRISO particle coatings

Tristructural isotropic (TRISO) particles show great promise as a candidate fuel for use in several next-generation high-temperature nuclear reactor designs due to their structural integrity and fuel performance at high temperatures and burnups. Computational codes exist that can simulate TRISO fuel performance characteristics and failure probabilities under extreme conditions which require knowledge of the TRISO coatings’ thermophysical properties. The thermophysical descriptions of the TRISO particle's layers (i.e., buffer, pyrolytic carbon, and silicon carbide) currently used in fuel performance codes, however, assume that many of these properties are constant with respect to temperature or texture. In this paper, we obtain the full elastic stiffness tensors of the carbon and silicon carbide layers, which have transversely isotropic symmetry. Additionally, the calculated elastic properties of each of the coating layers are in remarkable agreement with the current models at room temperature and correct orientations. Additionally, the textured 3C-SiC layer was found to exhibit novel auxetic behavior above 1500 °C. The anisotropic temperature-dependent thermal conductivities of the carbon layers were calculated using acoustical Grüneisen-Debye theory which are in excellent agreement with current models at room temperature and correct orientations. These texture- and temperature-dependent relationships can be incorporated into the thermophysical description of TRISO particles in order to more accurately model fuel performance and failure probabilities under extreme conditions in forthcoming high-fidelity computational simulations.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Spin-induced linear polarization of photoluminescence in antiferromagnetic van der Waals crystals

Antiferromagnets are promising components for spintronics due to their terahertz resonance, multilevel states and absence of stray fields. However, the zero net magnetic moment of antiferromagnets makes the detection of the antiferromagnetic order and the investigation of fundamental spin properties notoriously difficult. Here, we report an optical detection of Néel vector orientation through an ultra-sharp photoluminescence in the van der Waals antiferromagnet NiPS 3 from bulk to atomically thin flakes. The strong correlation between spin flipping and electric dipole oscillator results in a linear polarization of the sharp emission, which aligns perpendicular to the spin orientation in the crystal. By applying an in-plane magnetic field, we achieve manipulation of the photoluminescence polarization. Furthermore, this correlation between emitted photons and spins in layered magnets provides routes for investigating magneto-optics in two-dimensional materials, and hence opens a path for developing opto-spintronic devices and antiferromagnet-based quantum information technologies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Tracking structural solvent reorganization and recombination dynamics following e – photoabstraction from aqueous I – with femtosecond x-ray spectroscopy and scattering

Here we present a sub-picosecond resolved investigation of the structural solvent reorganization and geminate recombination dynamics following 400 nm two-photon excitation and photodetachment of a valence p electron from the aqueous atomic solute, I–(aq). The measurements utilized time-resolved X-ray Absorption Near Edge Structure (TR-XANES) spectroscopy and X-ray Solution Scattering (TR-XSS) at the Linac Coherent Light Source x-ray free electron laser in a laser pump/x-ray probe experiment. The XANES measurements around the L 1 -edge of the generated nascent iodine atoms (I 0 ) yield an average electron ejection distance from the iodine parent of 7.4 ± 1.5 Å with an excitation yield of about 1/3 of the 0.1M NaI aqueous solution. The kinetic traces of the XANES measurement are in agreement with a purely diffusion-driven geminate iodine–electron recombination model without the need for a long-lived (I 0 :e–) contact pair. Nonequilibrium classical molecular dynamics simulations indicate a delayed response of the caging H 2 O solvent shell and this is supported by the structural analysis of the XSS data: We identify a two-step process exhibiting a 0.1 ps delayed solvent shell reorganization time within the tight H-bond network and a 0.3 ps time constant for the mean iodine–oxygen distance changes. The results indicate that most of the reorganization can be explained classically by a transition from a hydrophilic cavity with a well-ordered first solvation shell (hydrogens pointing toward I–) to an expanded cavity around I 0 with a more random orientation of the H 2 O molecules in a broadened first solvation shell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Relative molecular orientation can impact the onset of plasticity in molecular crystals

Abstract Creating or moving dislocations is the first step to dissipating mechanical energy via plastic deformation under contact loading. In molecular crystals there is both a lattice that defines crystal orientation and a relative orientation of the basis of the molecules. We define a normalization parameter which relates strain at yield, the hardness of the bulk crystal, and a distance parameter analogous to a Burgers vector that nominally predicts the relative ease of initiating plasticity in this broad class of materials. Analyzing the yield behavior of 10 different molecular crystals of varying space groups shows the inter-molecular orientation predicts the experimentally observed applied stress needed to nucleate dislocations. When molecules are oriented ‘parallel’ relative to one another the normalized maximum shear stress at the onset of plasticity is on the order of 3–5 times lower than when molecules within the crystal are ‘anti-parallel’, and molecules with a more equiaxed shape fall in between these bounds. This provides an initial indication of a structural feature which predicts the relative ease of initiating plasticity during contact loading in molecular crystals.

36 MATERIALS SCIENCE↗

NASA NTRS1975

HAL/SM language specification

A programming language is presented for the flight software of the NASA Space Shuttle program. It is intended to satisfy virtually all of the flight software requirements of the space shuttle. To achieve this, it incorporates a wide range of features, including applications-oriented data types and organizations, real time control mechanisms, and constructs for systems programming tasks. It is a higher order language designed to allow programmers, analysts, and engineers to communicate with the computer in a form approximating natural mathematical expression. Parts of the English language are combined with standard notation to provide a tool that readily encourages programming without demanding computer hardware expertise. Block diagrams and flow charts are included. The semantics of the language is discussed.

Williams, G. P. W., Jr.↗

NASA NTRS1980

Physical loss of long-period comets

Loss of long-period comets from the solar system through a variety of physical processes is investigated. It is shown that planetary collision, defined as a comet passing within the Roche radius of any planet, has a probability of 1.35 x 10 to the -7th per perihelion passage for a long-period comet on a randomly oriented orbit. Sublimation of all volatiles for a one-kilometer radius hydrate ice nucleus would require on the order of 600 to 27,600 perihelion passages, depending on the surface albedo and assuming a perihelion distance of one astronomical unit. Analysis of observational records indicates that for dynamically 'new' comets in the Oort-Schmidt sense there is about a 10% probability of the comet randomly disrupting on its first perihelion passage. This probability drops to 4% per perihelion passage for older long-period comets, and less than 1% for short-period comets. The consequences of these loss mechanisms when incorporated into Monte-Carlo studies of long-period comet evolution are also discussed.

Weissman, P. R.↗

NASA NTRS1981

Observations of the gas stream in the mass transfer binary HR 2142 prime 1

The mass transfer binary system HR 2142 was observed at selected phases with the high resolution spectrograph on IUE. The observations were scheduled throughout the interval 0.91 phi 0.00 in order to allow viewing of the light of the primary star through the gas stream as it presents different orientations to the line of sight. Numerous UV lines formed in the gas stream were identified. The strengths and velocity variations displayed by these lines are compared with those observed in the ground based spectral region. As part of a preliminary analysis of the IUE data, column densities and velocities from Si III (4), Si IV (1), and Ti III (1) are used to deduce electron densities in the gas stream as well as its thickness. Possible evidence for stratification in the gas stream is presented.

Peters, G. J.↗

NASA NTRS1985

Effects of Microgravity and Hypergravity on Invertebrate Development

Data suggest that abnormal gravity loads do not increase the rate of mutations in lower animals. Insects such as Drosophila melanogaster and Tribolium confusum have been able to reproduce aboard unmanned and manned space satellites, though no precise quantitative data have been obtained on mating competence and various aspects of development. Research with Drosophila flown on Cosmos spacecraft suggests that flight behavior is seriously disturbed in insects exposed to microgravity, which is reflected in increased oxygen utilization and concomitant life shortening. The decrease in longevity was less striking when the flies were enclosed in space, which suggests that they could adapt to the altered gravitational environment when maturation of flight behavior took place in microgravity. The reviewed data suggest that further research on the development of invertebrates in space is in order for clarification of the metabolic and behavioral effects of microgravity and of the development and function of the orientation and gravity sensing mechanisms of lower animals.

Miquel, J.↗

NASA NTRS1984

The rotation of Hyperion

For almost the entire range of dimensions of Hyperion allowed by uncertainties in the observations, the satellite cannot librate stably about a rotation rate which is synchronous with its orbital mean motion. Rather, the large gravitational torques on the asymmetric satellite coupled with the large eccentricity forced by the orbital resonance with Titan cause Hyperion to tumble in a random manner. Large changes in orientation of body axes relative to inertial space and in the instantaneous spin rate occur on timescales of the order of the orbit period. Numerical evaluation of the exponential divergence of nearby trajectories in the phase space of the motion verifies that the tumbling is truly chaotic. This newly defined state of chaotic rotation for Hyperion is likely to be the only example of confined, continuously observable chaotic motion in the solar system.

Peale, S. J.↗

NASA NTRS1984

An in-depth review of photovoltaic system performance models

The features, strong points and shortcomings of 10 numerical models commonly applied to assessing photovoltaic performance are discussed. The models range in capabilities from first-order approximations to full circuit level descriptions. Account is taken, at times, of the cell and module characteristics, the orientation and geometry, array-level factors, the power-conditioning equipment, the overall plant performance, O and M effects, and site-specific factors. Areas of improvement and/or necessary extensions are identified for several of the models. Although the simplicity of a model was found not necessarily to affect the accuracy of the data generated, the use of any one model was dependent on the application.

Smith, J. H.↗