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DOE OSTI2025

Continuous Evolution of Eu 2+ /Eu 3+ Mixed Valency Driven by Pressure and Temperature

Continuous mixed valency involving Eu 2+ and Eu 3+ in Eu 4 Bi 6 Se 13 can be induced under applied pressure or at reduced temperatures. The monoclinic structure of Eu 4 Bi 6 Se 13 , crystallizing in the P2 1 /m space group (No. 11), features linear chains of Eu atoms aligned along the b-axis. Magnetic susceptibility measurements, conducted both parallel and perpendicular to the b-axis and analyzed using Curie–Weiss theory, alongside high-pressure partial fluorescence yield (PFY) data from X-ray absorption spectroscopy (XAS), indicate the material’s propensity to adopt a mixed-valent state. Within this state, the trivalent Eu 3+ configuration becomes increasingly favored as the pressure rises or the temperature decreases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Continuum gyrokinetic simulations of edge plasmas in single-null geometries

The first continuum gyrokinetic calculations of electrostatic ion scale turbulence are presented for the case of a diverted tokamak geometry. The simulation model solves the long-wavelength limit of the full-F gyrokinetic equation for ion species coupled to the quasi-neutrality equation for electrostatic potential variations, where a fluid model is used for an electron response. Furthermore, in order to facilitate simulations of highly-anisotropic microturbulence in the presence of strong magnetic shear and a magnetic X-point, a numerical algorithm utilizing a locally field-aligned multiblock coordinate system has been developed and implemented in the 5D finite-volume code COGENT. In this approach, the toroidal direction is divided into blocks, such that within each block, the cells are field-aligned and a non-matching grid interface is allowed at block boundaries. The toroidal angle corresponds to the “coarse” field-aligned coordinate, whereas the poloidal cross section, comprised of the radial and poloidal directions, is finely gridded to resolve short-scale perpendicular turbulence structures and to support accurate re-mapping (interpolation) at block boundaries. The 5D simulations explore cross-separatrix ion scale turbulence in the presence of a self-consistent radial electric field and address the effects of magnetic-shear stabilization in the X-point region.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Poplar

SAND2025-00683O Poplar is a software tool that generates a phylogenetic tree from input gene and genome sequences. It integrates established tools to identify genes within genomes, group sequences, construct gene trees, and infer a species tree. Poplar processes nucleotide sequences, identifies similar sequences using Nucleotide BLAST, groups them with DBSCAN, aligns sequences with MAFFT, constructs gene trees with RAxML-NG, and infers a species tree using ASTRAL-Pro3. This pipeline provides a structured approach to phylogenetic analysis, facilitating the study of evolutionary relationships among species. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Krishnakumar, Raga↗

DOE OSTI2024

Clear Sky Toolkit: Decision Support User Guide

The Clear Sky Decision Support Template is a Microsoft Excel-based resource that enables users to screen and prioritize critical facilities for the addition of solar + storage. The Decision Support Template consolidates and streamlines the most relevant resources from the emergency management discipline, the electric utility sector, and national energy research institutions to assist in further site analysis and decision-making. The Decision Support Template is intended for use by local government and private sector decision-makers who aim to mitigate the effects of power outages on critical infrastructure, understand the potential for deploying photovoltaic (PV) and storage solutions on critical facilities, and align emergency management planning processes and utility needs with community resilience objectives. The Decision Support Template is divided into five modules that provide a structured, step-by-step approach users can follow and apply to unique circumstances. This process guides a more thorough and accurate assessment of a site's potential to accommodate a solar + storage system, provide grid benefits to utilities, and support community resilience and disaster mitigation for the broader region. After identifying potentially viable and preferred sites for solar + storage using the Decision Support Template, users should conduct a more detailed evaluation and consultation with a solar professional.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS1986

Laboratory observations of ion cyclotron waves associated with a double layer in an inhomogeneous magnetic field

Observations of coherent electrostatic ion cyclotron (EIC) waves associated with a strong, magnetized double layer are presented. The double layers are produced in a weakly ionized argon plasma by applying a positive potential to an electrode plate located in the diverging magnetic field region of a cylindrical plasma column. Ionization within the electrode sheath is essential to the formation of these double layers. The resulting V-shaped potential structures have extended parallel, oblique and perpendicular (to B) electric field components. The frequency of the ion cyclotron instability is dependent upon the magnetic field strength at the position of the parallel potential structure. The properties of EIC waves in the presence of the double layer are discussed in relation to the possible excitation mechanisms (field-aligned currents, ion and electron beams, and perpendicular E fields).

Alport, M. J.↗

NASA NTRS1985

Space plasma turbulent dissipation - Reality or myth?

A prevalent approach to understanding magnetospheric dynamics is to combine a hydromagnetic description of the large scale magnetic structure and convection flows with a locally determined anomalous dissipation which develops in boundary layers. Three problems (nose and tail reconnection, auroral field-aligned currents, and diffuse auroral precipitation) are critically examined to test the validity of this theoretical philosophy. Although the expected plasma wave turbulence is observed for each case, the concept of local anomalous dissipation fails to provide an adequate or complete description of the phenomenae.

Coroniti, F. V.↗

NASA NTRS1997

Analysis of Technology for Solid State Coherent Lidar

Over the past few years, considerable advances have been made in the areas of the diode-pumped, eye-safe, solid state lasers, wide bandwidth, semiconductor detectors operating in the near-infrared region. These advances have created new possibilities for the development of low-cost, reliable, and compact coherent lidar systems for measurements of atmospheric winds and aerosol backscattering from a space-based platform. The work performed by the UAH personnel concentrated on design and analyses of solid state pulsed coherent lidar systems capable of measuring atmospheric winds from space, and design and perform laboratory experiments and measurements in support of solid state laser radar remote sensing systems which are to be designed, deployed, and used by NASA to measure atmospheric processes and constituents. A lidar testbed system was designed and analyzed by considering the major space operational and environmental requirements, and its associated physical constraints. The lidar optical system includes a wedge scanner and the compact telescope designed by the UAH personnel. The other major optical components included in the design and analyses were: polarizing beam splitter, routing mirrors, wave plates, signal beam derotator, and lag angle compensator. The testbed lidar optical train was designed and analyzed, and different design options for mounting and packaging the lidar subsystems and components and support structure were investigated. All the optical components are to be mounted in a stress-free and stable manner to allow easy integration and alignment, and long term stability. This lidar system is also intended to be used for evaluating the performance of various lidar subsystems and components that are to be integrated into a flight unit and for demonstrating the integrity of the signal processing algorithms by performing actual atmospheric measurements from a ground station.

Amzajerdian, Farzin↗

NASA NTRS2001

MHD Instability and Turbulence in the Tachocline

In this quarter we have begun simulations on the Cray T3E at PSC and we are debugging our code on the TSC. The PSC simulations are examining stratified shear turbulence with a flow-aligned magnetic field and passive tracer particles. We have conducted analysis of neutral simulations to establish a firm basis of comparison. Second-order structure functions have been computed, fit, and compared to theoretical expressions relating the dissipation fields and the structure-function-fit parameters. Agreement with high-Reynolds number observations is excellent, giving us confidence that the lower-Re simulations are relevant to higher-Re flows. We have also evaluated the neutral layer anisotropy.

Werne, Joseph↗

NASA NTRS1991

Cristispira from oyster styles: complex morphology of large symbiotic spirochetes

Crystalline styles (digestive organs) of bivalve mollusks provide the habitat for highly motile bacteria. Styles from freshly-collected oysters, Crassostrea virginica, were studied by electron microscopy; Cristispira spirochetes were abundant in these organs. Detailed study reveals these spirochetes to be among the most complex prokaryotic cells known. More than 600 periplasmic flagella and an adhering outer lipoprotein membrane (e.g., a 270 degrees sillon) form the ultrastructural basis for the "crista," first described by light microscopy. Unique rosette structures corresponding to the "chambers" or "ovoid inclusions" of light microscopy were detected at the periphery of all protoplasmic cylinders. Polar organelles and linearly aligned flagellar insertions are conspicuous. In size and complexity, Cristispira more resembles Pillotina, Diplocalyx, Clevelandina and Hollandina (large spirochetes symbiotic in termites) than it does Treponema. Cristispira pectinis (Gross, 1910), the type species; Spirillum ostrea (Noguchi, 1921); and another, less frequent bacterial symbiont are the predominant inhabitants of the dense style matrix. The ultrastructure of the spirillum and an electron micrograph of the third bacterium are shown.

NASA Program Exobiology↗

NASA NTRS2005

Mechanical Design of Carbon Ion Optics

Carbon Ion Optics are expected to provide much longer thruster life due to their resistance to sputter erosion. There are a number of different forms of carbon that have been used for fabricating ion thruster optics. The mechanical behavior of carbon is much different than that of most metals, and poses unique design challenges. In order to minimize mission risk, the behavior of carbon must be well understood, and components designed within material limitations. Thermal expansion of the thruster structure must be compatible with thermal expansion of the carbon ion optics. Specially designed interfaces may be needed so that grid gap and aperture alignment are not adversely affected by dissimilar material properties within the thruster. The assembled thruster must be robust and tolerant of launch vibration. The following paper lists some of the characteristics of various carbon materials. Several past ion optics designs are discussed, identifying strengths and weaknesses. Electrostatics and material science are not emphasized so much as the mechanical behavior and integration of grid electrodes into an ion thruster.

Haag, Thomas↗

NASA NTRS2008

Supersonic Disk Gap Band Parachute Performance in the Wake of a Viking-Type Aeroshell from Mach 2 to 2.5

Supersonic wind tunnel testing of 0.813 m diameter Disk-Gap-Band parachutes is being conducted in the NASA Glenn Research Center (GRC) 10' x 10' wind-tunnel. The tests are conducted in support of the Mars Science Laboratory Parachute Decelerator System development and qualification. Four percent of full-scale parachutes were constructed similarly to the flight-article in material and construction techniques. The parachutes are attached to a 4% scale MSL entry-vehicle to simulate the free-flight configuration. The parachutes are tested from Mach 2 to 2.5 over a Reynolds number (Re) range of 1 to 3 x 10(exp 6), representative of the MSL deployment envelope. Constrained and unconstrained test configurations are investigated to quantify the effects of parachute trim, suspension line interaction, and alignment with the capsule wake. The parachute is constrained horizontally through the vent region, to measure canopy breathing and wake interaction for fixed trim angles of 0 and 10 degrees from the velocity vector. In the unconstrained configuration the parachute is permitted to trim and cone, similar to the free-flight varying its alignment relative to the entry-vehicle wake. Test diagnostics were chosen to quantify parachute performance and to provide insight into the flow field structure. An in-line load cell provided measurement of unsteady and mean drag as a function of Mach and Re. High-speed shadowgraph video of the upstream parachute flow field was used to capture bow-shock motion and stand of distance. Particle image velocimetry of the upstream parachute flow field provides spatially and temporally resolved measurement velocity and turbulent statistics. Multiple high speed video views of targets placed in the interior of the canopy enable photo-grammetric measurement of the fabric motion in time and space from reflective. High speed video is also used to document the supersonic inflation and measure trim angle, projected area, and frequency of area oscillations.

EDL↗

NASA NTRS2006

Spherulitic (c-axis) Growth for Terrestrial (Mauna Kea, Hawaii) and Martian Hematite "blueberries"

Hematite concentrations observed by Thermal Emission Spectrometer (TES) onboard Mars Global Surveyor were considered a possible indicator for aqueous processes on Mars. Observations made by Opportunity show that the hematite at Meridiani Planum is present as spherules ( blueberries) and their fragments. The internal structure of the hematite spherules is not discernable at the resolution limit (approx.30 m/pixel) of Opportunity s Microscopic Imager (MI). A terrestrial analog for martian hematite spherules are spherules from hydrothermally altered and sulfate-rich tephra from the summit region of Mauna Kea volcano, Hawaii. The objective of this study is to determine the crystal growth fabric of the Mauna Kea hematite spherules using transmission electron microscopy (TEM) techniques and to relate that crystalline fabric to the observed TES signature of Meridiani Planum "blueberries." TEM analysis of Mauna Kea spherules exhibited a radial growth pattern consisting of "fibrous" hematite with the c-axis of hematite particles aligned along the elongation direction of the hematite fibers. The individual fibers appear to be made of coalesced nano-particles of hematite arranged with their c-axis oriented radially to form a spherical structure. Lattice fringes suggest long-range order across particles and along fibers. According to interpretations of thermal emission spectra for Meridian Planum hematite, the absence of a band at approx. 390/cm implies a geometry where c-face emission dominates. Because the c-face is perpendicular to the c-axis, this is precisely the geometry for the Mauna Kea spherules because the c-axis is aligned parallel to their radial growth direction. Therefore, we conclude as a working hypothesis that the martian spherules also have radial, c-axis growth pattern on a scale that is too small to be detected by the MER MI. Furthermore, by analogy with the Mauna Kea spherules, the martian blueberries could have formed during hydrothermal alteration of basaltic precursors under acid-sulfate conditions.

Golden, D. C.↗

DOE OSTI2025

Real-space observation of the dissociation of a transition metal complex and its concurrent energy redistribution

Mechanistic insights into photodissociation dynamics of transition metal carbonyls, like Fe(CO) 5 , are fundamental for understanding active catalytic intermediates. Although extensively studied, the structural dynamics of these systems remain elusive. Using ultrafast X-ray scattering, we uncover the photochemistry of Fe(CO) 5 in real space and time, observing synchronous oscillations in atomic pair distances, followed by a prompt rotating CO release preferentially in the axial direction. This behavior aligns with simulations, reflecting the interplay between the axial Fe-C distances’ potential energy landscape and non-adiabatic transitions between metal-to-ligand charge-transfer states. Additionally, we characterize a secondary delayed CO release associated with a reduction of Fe-C steady state distances and structural dynamics of the formed Fe(CO) 4 . Our results quantify energy redistribution across vibration, rotation, and translation degrees of freedom, offering a microscopic view of complex structural dynamics, enhancing our grasp on Fe(CO) 5 photodissociation, and advancing our understanding of transition metal catalytic systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Review on the growth, properties and applications of self-assembled oxide–metal vertically aligned nanocomposite thin films—current and future perspectives

Self-assembled oxide–metal nanocomposite thin films have aroused great research interest owing to their wide range of functionalities, including metamaterials with plasmonic and hyperbolic optical properties, and ferromagnetic, ferroelectric and multiferroic behaviors. Oxide–metal nanocomposites typically self-assemble as metal particles in an oxide matrix or as a vertically aligned nanocomposite (VAN) with metal nanopillars embedded in an oxide matrix. Among them, the VAN architecture is particularly interesting due to the vertical strain control and highly anisotropic structure, enabling the epitaxial growth of materials with large lattice mismatch. In this review, the driving forces behind the formation of self-assembled oxide–metal VAN structures are discussed. Specifically, an updated in-plane strain compensation model based on the areal strain compensation concept has been proposed in this review, inspired by the prior linear strain compensation model. It provides a guideline for material selection for designing VAN systems, especially those involving complex orientation matching relationships. Based on the model, several case studies are discussed, comparing the microstructure and morphology of different oxide–metal nanocomposites by varying the oxide phase. Specific examples highlighting the coupling between the electrical, magnetic and optical properties are also discussed in the context of oxide–metal nanocomposites. Finally, future research directions and needs are also discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Redshift-dependent RSD bias from intrinsic alignment with DESI Year 1 spectra

ABSTRACT We estimate the redshift-dependent, anisotropic clustering signal in the Dark Energy Spectroscopic Instrument (DESI) Year 1 Survey created by tidal alignments of Luminous Red Galaxies (LRGs) and a selection-induced galaxy orientation bias. To this end, we measured the correlation between LRG shapes and the tidal field with DESI’s Year 1 redshifts, as traced by LRGs and Emission-Line Galaxies. We also estimate the galaxy orientation bias of LRGs caused by DESI’s aperture-based selection, and find it to increase by a factor of seven between redshifts 0.4−1.1 due to redder, fainter galaxies falling closer to DESI’s imaging selection cuts. These effects combine to dampen measurements of the quadrupole of the correlation function (ξ2) caused by structure growth on scales of 10–80 h−1 Mpc by about 0.15 per cent for low redshifts (0.4 < z < 0.6) and 0.8 per cent for high (0.8 < z < 1.1), a significant fraction of DESI’s error budget. We provide estimates of the ξ2 signal created by intrinsic alignments that can be used to correct this effect, which is necessary to meet DESI’s forecasted precision on measuring the growth rate of structure. While imaging quality varies across DESI’s footprint, we find no significant difference in this effect between imaging regions in the Legacy Imaging Survey.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Dark energy survey year 3 results: Cosmology with peaks using an emulator approach

ABSTRACT We constrain the matter density Ωm and the amplitude of density fluctuations σ8 within the ΛCDM cosmological model with shear peak statistics and angular convergence power spectra using mass maps constructed from the first three years of data of the Dark Energy Survey (DES Y3). We use tomographic shear peak statistics, including cross-peaks: peak counts calculated on maps created by taking a harmonic space product of the convergence of two tomographic redshift bins. Our analysis follows a forward-modelling scheme to create a likelihood of these statistics using N-body simulations, using a Gaussian process emulator. We take into account the uncertainty from the remaining, largely unconstrained ΛCDM parameters (Ωb, ns, and h). We include the following lensing systematics: multiplicative shear bias, photometric redshift uncertainty, and galaxy intrinsic alignment. Stringent scale cuts are applied to avoid biases from unmodelled baryonic physics. We find that the additional non-Gaussian information leads to a tightening of the constraints on the structure growth parameter yielding $S_8~\equiv ~\sigma _8\sqrt{\Omega _{\mathrm{m}}/0.3}~=~0.797_{-0.013}^{+0.015}$ (68 per cent confidence limits), with a precision of 1.8 per cent, an improvement of 38 per cent compared to the angular power spectra only case. The results obtained with the angular power spectra and peak counts are found to be in agreement with each other and no significant difference in S8 is recorded. We find a mild tension of $1.5 \, \sigma$ between our study and the results from Planck 2018, with our analysis yielding a lower S8. Furthermore, we observe that the combination of angular power spectra and tomographic peak counts breaks the degeneracy between galaxy intrinsic alignment AIA and S8, improving cosmological constraints. We run a suite of tests concluding that our results are robust and consistent with the results from other studies using DES Y3 data.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2003

A 4 MPC X-Ray Filament Falling into the Cluster A85

We have completed a first paper confirming the ROSAT observation of a merging filamentary structure associated with the rich cluster A85. We detected a portion of the extended 4 Mpc filament first seen by the ROSAT PSPC. We confirm that there is an extended feature, aligned at the same position angle as the major axis of the central cD, the bright cluster galaxies, and nearby groups and clusters. We find that the X-ray emission from the filament is best described by thermal emission with a temperature of approx. 2 keV, which is significantly lower than the ambient cluster medium, but is significantly higher than anticipated for a gas in a weakly bound extended filament. It is not clear whether this is a filament of diffuse emission, a chain of several groups of galaxies, or stripped gas from the infalling south blob. In conclusion, the XMM-Newton observations confirmed that there really is a highly elongated filamentary like structure extending from the the merging south clump to the south east of Abell-85 along the direction defined by all the structures pointed out by Durret et al. (1998b). The fact that the spatial structure of the X-ray filament detected by XMM-Newton cannot be exactly superimposed to that obtained from ROSAT data shows that it is still difficult to determine exactly its nature. However, the X-ray spectrum from this structure is most likely thermal and its temperature is about 2.0 keV, consistent with that of groups. This value is notably cooler than that of the main cluster: the temperature map by Markevitch et al. (1998) shows the presence of gas at about 3-4 keV in the region at a distance from the cluster center at least as far as the northern part of the ellipse. So, we appear to be seeing cool gas as it enters the cluster core. Another possibility is that the filament is associated with the wake of cool stripped gas left behind by the south blob as it falls onto the cluster. In this case, the 'filament', whether it is diffuse or made of groups, would not really be a filament in the large scale structure formation sense. Besides X-ray observations with a much better signal to noise ratio, which probably will have to wait for the next generation of X-ray satellites, optical data can shed light on this question. With this purpose, we intend to perform wide field imaging in various bands to estimate galaxy photometric redshifts and determine how galaxies are distributed in the 'filament' area.

Forman, William↗

DOE OSTI2025

Carbon nanotube coated metal mesh: Bridging nanoscale and macroscale

A novel hybrid structure has been developed by growing carbon nanotubes (CNTs) on a metal mesh that functions as a literally unlimitedly extendable backbone. This hybrid material structure provides a new approach of extending CNTs’ advantageous properties such as ultrahigh thermal and electrical conductivities, high sensitivity to gases, and distinctive wettability for different liquids with chemical inertness to macroscale—otherwise available only in nano- and microscales. In this feasibility work, CNTs were grown on a Type 316 stainless steel (SS) mesh by self-catalytical chemical vapor deposition (CVD) without the need of an externally added catalyst or catalyst support. For the radially aligned and entangled CNT forest on the SS mesh, the average CNT diameter is around 50 nm, while the length varies from 20 to 25 µm. High-resolution transmission electron microscopy analysis revealed the multiwall structure of the CNTs with >30 rolled-up graphitic sheets. Raman spectra of the CNTs showed a dominant G band, indicating a well-ordered graphitic nanostructure. Being highly hydrophobic with a water contact angle of ∼145° and oleophilic, the CNT-coated SS mesh could be used in fluid separation and organic contaminant removal from water. Moreover, CNTs are recognized for their exceptional thermal conductivity and the CNT-coated mesh offers a supportive structure with directly connected CNTs for efficient heat transfer. Proof of concept has been achieved for the CNT-coated mesh’s potentials as a liquid filter and an thermal interface material (TIM). Specifically, the CNT-coated mesh demonstrated the capability of capturing water from a water-organic mixture with a 100 % efficiency while allowing organic liquids to pass through the filter. Furthermore, when used as a TIM, the CNT-coated mesh reduced the interfacial thermal impedance by >30 %.

Carbon nanotubes (CNTS)↗