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At least 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

The energetics and dynamics of confinement in flexible frameworks and molecular confinement

Porous frameworks form the chemical and structural basis for critical technologies in separations, catalysis, nuclear waste containment and biomedical applications. Hundreds of zeolites and metal organic frameworks (MOFs) have been synthesized, and their ability to separate and store hydrogen, methane and carbon dioxide has been investigated both experimentally and theoretically. Nevertheless, a fundamental and systematic molecular-level understanding of the thermodynamic and structural factors governing the stability and guest-host interactions in these materials lags behind focused studies of specific systems. Because the guest molecules interact with each other and with the host framework, molecular confinement is a finely balanced and complex phenomenon. The ability of the guest molecules to bind and diffuse through the pores is determined by the nature of the host framework which, in turn, responds to the nature and concentration of guest molecules and to pressure and temperature. The work explores how framework flexibility, tailored by structure, composition, temperature and pressure, is a general phenomenon, similar in nature but variable in extent, in both zeolites and MOFs and is part of a free energy landscape in which framework-guest interactions, pressure, and temperature result in changes in framework geometry and, in some cases, phase transitions. These subtle and/or pronounced changes in lattice geometry, energetics, and dynamics can play a decisive role in confinement and in differentiating the binding of molecules of similar size. The free energy landscape created by these structural changes links polymorphism, amorphization, “breathing,” “gate opening” and confinement. Specifically, the generality of such behavior arises from commonalities in lattice dynamics and energetics of frameworks containing a combination of strong rigid bonds and weaker more flexible deformation modes. Identifying and describing these common and collective phenomena is the focus of the research on a selected group of zeolites and MOFs. Structural studies using X-ray and neutron diffraction explore the mechanical functionality of these important materials, specifically how framework materials respond to changes in temperature, pressure and guest loading. These structural studies are combined with calorimetric measurements, using techniques uniquely developed in the participating laboratories, of heats of formation, heat capacities and entropies, and guest-host interactions. The experimental thermodynamic studies are complemented by inelastic neutron scattering studies of the lattice dynamics related both to framework vibrations and to guest-host interactions. The report below summarizes the work done at UC Davis, which is complemented by work done at BYU (Woodfield) and Virginia Tech (Ross).

36 MATERIALS SCIENCE↗
DOE OSTI2022

The energetics and dynamics of confinement in flexible frameworks and molecular confinement

Porous frameworks form the chemical and structural basis for critical technologies in separations, catalysis, nuclear waste containment and biomedical applications. Hundreds of zeolites and metal organic frameworks (MOFs) have been synthesized, and their ability to separate and store hydrogen, methane and carbon dioxide has been investigated both experimentally and theoretically. Nevertheless, a fundamental and systematic molecular-level understanding of the thermodynamic and structural factors governing the stability and guest-host interactions in these materials lags behind focused studies of specific systems. Because the guest molecules interact with each other and with the host framework, molecular confinement is a finely balanced and complex phenomenon. The ability of the guest molecules to bind and diffuse through the pores is determined by the nature of the host framework which, in turn, responds to the nature and concentration of guest molecules and to pressure and temperature. The work explores how framework flexibility, tailored by structure, composition, temperature and pressure, is a general phenomenon, similar in nature but variable in extent, in both zeolites and MOFs and is part of a free energy landscape in which framework-guest interactions, pressure, and temperature result in changes in framework geometry and, in some cases, phase transitions. These subtle and/or pronounced changes in lattice geometry, energetics, and dynamics can play a decisive role in confinement and in differentiating the binding of molecules of similar size. The free energy landscape created by these structural changes links polymorphism, amorphization, “breathing,” “gate opening” and confinement. Specifically, the generality of such behavior arises from commonalities in lattice dynamics and energetics of frameworks containing a combination of strong rigid bonds and weaker more flexible deformation modes. Identifying and describing these common and collective phenomena is the focus of the research on a selected group of zeolites and MOFs. Structural studies using X-ray and neutron diffraction explore the mechanical functionality of these important materials, specifically how framework materials respond to changes in temperature, pressure and guest loading. These structural studies are combined with calorimetric measurements, using techniques uniquely developed in the participating laboratories, of heats of formation, heat capacities and entropies, and guest-host interactions. The experimental thermodynamic studies are complemented by inelastic neutron scattering studies of the lattice dynamics related both to framework vibrations and to guest-host interactions. This research was a collaboration between UC Davis (A. Navrotsky) BYU (B. Woodfield) and Virginia Tech (N. Ross).

36 MATERIALS SCIENCE↗
NASA NTRS2002

Simulations of Ground and Space-Based Oxygen Atom Experiments

Fast, pulsed atomic oxygen sources are a key tool in ground-based investigations of spacecraft contamination and surface erosion effects. These technically challenging ground-based studies provide a before and after picture of materials under low-earth-orbit (LEO) conditions. It would be of great interest to track in real time the pulsed flux from the source to the surface sample target and beyond in order to characterize the population of atoms and molecules that actually impact the surface and those that make it downstream to any coincident detectors. We have performed simulations in order to provide such detailed descriptions of these ground-based measurements and to provide an assessment of their correspondence to the actual LEO environment. Where possible we also make comparisons to measured fluxes and erosion yields. To perform the calculations we use a detailed description of a measurement beam and surface geometry based on the W, pulsed apparatus at Montana State University. In this system, a short pulse (on the order of 10 microseconds) of an O/O2 beam impacts a flat sample about 40 cm downstream and slightly displaced &om the beam s central axis. Past this target, at the end of the beam axis is a quadrupole mass spectrometer that measures the relative in situ flux of 0102 to give an overall normalized erosion yield. In our simulations we use the Direct Simulation Monte Carlo (DSMC) method, and track individual atoms within the atomic oxygen pulse. DSMC techniques are typically used to model rarefied (few collision) gas-flows which occur at altitudes above approximately 110 kilometers. These techniques are well suited for the conditions here, and multi-collision effects that can only be treated by this or a similar technique are included. This simulation includes collisions with the surface and among gas atoms that have scattered from the surface. The simulation also includes descriptions of the velocity spread and spatial profiles of the O/O2 beam obtained from separate measurements. These computations use basic engineering models for the gas-gas and gas-surface scattering and focus on the influence of multi-collision effects. These simulations characterize many important quantities of interest including the actual flux of atoms that reach the surface, the energy distribution of this flux, as well as the direction of the velocity of the flux that strikes the surface. These quantities are important in characterizing the conditions which give rise to measured surface erosion. The calculations also yield time- snapshots of the pulse as it impacts and flows around the surface. These snapshots reveal the local environment of gas near the surface for the duration of the pulse. We are also able to compute the flux of molecules that travel downstream and reach the spectrometer, and we characterize their velocity distribution. The number of atoms that reach the spectrometer can in fact be influenced by the presence of the surface due to gas-gas collisions from atoms scattered h m the surface, and it will generally be less than that with the surface absent. This amounts to an overall normalization factor in computing erosion yields. We discuss these quantities and their relationship to the gas-surf$ce interaction parameters. We have also performed similar calculations corresponding to conditions (number densities, temperatures, and velocities) of low-earth orbit. The steady-state nature and lower overall flux of the actual space environment give rise to differences in the nature of the gas-impacts on the surface from those of the ground-based measurements using a pulsed source.

Minton, T. K.↗
DOE OSTI2024

Parameter development and characterization of laser powder directed energy deposition of Nb – Alloy C103 for thin wall geometries

This work focuses on the parameter development and microstructural characterization of Nb-based alloy C103 for thin wall structures produced via laser powder – directed energy deposition (LP – DED). Laser power and scanning speeds were varied as part of a design of experiments to identify adequate print parameters. Combinations were evaluated for relative density, porosity, and geometrical accuracy. A combination of a laser power of 1420 W and scanning speed of 14 mm/s resulted in a relative density >99%, exhibited a consistent weld bead profile and was used for further microstructural evaluation. A mix of optical and scanning electron microscopy (SEM) revealed small, slightly elongated grains along the edges and large epitaxial grains in the central region along the Build – Transverse view. Scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) analysis revealed Hf rich columnar cells in the center that transition into an evenly spaced cellular structure towards the edges of the built sample. Electron backscatter diffraction (EBSD) scans show a sharp [001] texture when looking at the cross section of the sample along the build direction. The Build – Scan view revealed a zig – zag pattern that follows the back – and – forth deposition strategy that was used. Finally, microhardness measurements were taken in the as – built (AB) and stress relieved (SR) conditions to baseline preliminary mechanical properties. The AB condition exhibited a large amount of scatter in the data and averages up to 11% larger than the SR condition. The reduction in scatter upon applying the SR cycle are indicative of a large concertation of dislocations present in the AB condition.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Hole‐Carrier‐Dominant Transport in 2D Single‐Crystal Copper

Abstract In 2D noble metals like copper, the carrier scattering at grain boundaries has obscured the intrinsic nature of electronic transport. However, it is demonstrated that the intrinsic nature of transport by hole carriers in 2D copper can be revealed by growing thin films without grain boundaries. As even a slight deviation from the twin boundary is perceived as grain boundaries by electrons, it is only through the thorough elimination of grain boundaries that the hidden hole‐like attribute of 2D single‐crystal copper can be unmasked. Two types of Fermi surfaces, a large hexagonal Fermi surface centered at the zone center and the triangular Fermi surface around the zone corner, tightly matching to the calculated Fermi surface topology, confirmed by angle‐resolved photoemission spectroscopy (ARPES) measurements and vivid nonlinear Hall effects of the 2D single‐crystal copper account for the presence of hole carriers experimentally. This breakthrough suggests the potential to manipulate the majority carrier polarity in metals by means of grain boundary engineering in a 2D geometry.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Anisotropy of localized states in an anisotropic disordered medium

Highlights: • Mobility edges of the Anderson transition are unaffected by anisotropy alone. • The critical exponent of the Anderson localization transition is also unaffected. • Anderson localized eigenstates in an anisotropic medium retain substantial anisotropy. • Their anisotropy is weaker than expected from purely geometric considerations. • Modes with the longest lifetimes are found to be the most anisotropic. We study Anderson localization of a scalar wave in an ensemble of resonant point scatterers embedded in an anisotropic background medium. For uniaxial anisotropy of moderate strength, the mobility edges and the critical exponent of the localization transition are found to be unaffected by the anisotropy provided that the determinant of the anisotropy tensor is kept equal to one upon introducing the anisotropy. Localized modes have anisotropic spatial shapes although their anisotropy is weaker than the one expected from purely geometric considerations. The modes with the longest lifetimes are found to be the most anisotropic and their anisotropy increases with the size of the disordered medium.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1995

Standard methods for filled hole tension testing of textile composites

The effects of two test specimen geometry parameters, the specimen width and W/D ratio, on filled-hole tensile strength were determined for textile composite materials. Test data generated by Boeing and Lockheed on 2-D and 3-D braids, and 3-D weaves were used to make these evaluations. The investigation indicated that filled-hole tensile-strength showed little sensitivity to either parameter. Test specimen configurations used in open-hole tension tests, such as those suggested by ASTM D5766 - Standard Test Method for Open Hole Tensile Strength of Polymer Matrix Composite Laminates or those proposed by MIL-HDBK-17-lD should provide adequate results for material comparisons studies. Comparisons of the materials' open-hole and filled-hole tensile strengths indicated that the latter were generally lower than the former. The 3-D braids were the exception; their filled-hole strengths were unexpected larger than their open-hole strengths. However, these increases were small compared to the scatter in the data. Thus, filled hole tension may be a critical design consideration for textile composite materials.

Portanova, M. A.↗
NASA NTRS1998

Estimation of 3-D Cloud Effects on TOMS Satellite Retrieval of Surface UV Irradiance

To improve surface UV irradiance retrieval from the Total Ozone Mapping Spectrometer (TOMS) we simulate errors of the TOMS cloud correction algorithm for summertime broken cloud conditions. Cloud scenes (50 km by 50 km) are modeled by a normal random (Gaussian) field with a fixed lower boundary and conservative scattering. The model relates stochastic field characteristics with the cloud amount, mean cloud diameter and aspect ratio. Clouds are embedded into Rayleigh atmosphere with standard ozone profile. Radiative transfer calculations of the radiance at the top of the atmosphere and irradiance at the surface were performed using 3-D Monte Carlo (MC) code. The results are averaged over the satellite field of view on the surface (50 km by 50 km) and compared with TOMS predicted surface irradiance for the same scene reflectance. The TOMS algorithm assumes horizontally homogeneous Cl-type cloud between 3 km and 5.5 km. The effective optical depth is determined by fitting observed (MC) radiance at 380 nm. Having the same radiance at the satellite the homogeneous and broken cloud models predict different average irradiances at the surface. This is due to the differences in Bidirectional Reflection Distribution Function (BRDF) for homogeneous and broken cloud scenes with the same hemispherical albedo. For typical TOMS observational geometry at mid-latitudes the simulated single pixels errors may be as large as +/- 20%. Qualitatively these errors are due to the dominance of the non-horizontal cloud surfaces, which are not accounted for in the homogeneous cloud model. However, due to high variability of the real cloud shapes and types it is unclear how these single pixel errors would affect TOMS time-integrated UV exposure over extended periods (weeks to months) for different regions.

Krotkov, Nickolay A.↗
DOE OSTI2021

Unraveling the implications of finite specimen size on the interpretation of dynamic experiments for polycrystalline aluminum through direct numerical simulations

Normal and Pressure-shear plate impact (NPI and PSPI) experiments are popular experimental techniques for studying the mean-field macroscopic behavior of polycrystalline metals under high-rate dynamic loading. However, since both configurations rely upon geometry for subjecting the specimen to high strain rates, these experiments often involve a limited specimen size. Moreover, because of the inherent heterogeneities present within polycrystalline metals, it is difficult to ascertain if the size of the specimen and/or regions where measurements are made are sufficiently large for making representative inferences about the mean-field macroscopic properties from single-point velocity measurements. In the present study, we quantify the expected measurement variability on observable point measurements in NPI and PSPI experiments by carrying out direct numerical simulations (DNS) of statistically representative polycrystalline microstructures subjected to dynamic compression and compression-shear loading. In particular, we consider the role of specific material heterogeneities (e.g. the grain-to-grain difference in size, crystallographic orientation) on dispersion in the normal and transverse particle velocity records and on local fluctuations in key state variables (e.g. velocity, accumulated plastic strain) by incorporating these effects directly into a representative synthetic microstructure geometry and crystalline description of pure polycrystalline aluminum. The form of the present study is a large parametric investigation, consisting of ten ensembles of one hundred simulations. Each of the thousand simulations reflects a randomly realized synthetic microstructure in one of five cases of decreasing average grain size for the two loading configurations. Our analysis of the DNS results demonstrates that for both of these experimental configurations, the grain size directly correlates with the coefficient of variation (CV) in simulated point measurements, showing a convergent decrease in CV to zero (i.e. particle velocity record approaches the mean-field value) with decreasing grain size. Remarkably, the magnitude of variations in the particle velocity record is shown to be largest where the deviatoric stresses are most significant. In the case of NPI, this occurs at the elastic and plastic wavefront, whereas, in the case of PSPI, the magnitude of fluctuations are approximately constant throughout the experimental window time. The reasoning for the scatter in particle velocity due to the heterogeneous microstructure is demonstrated to be dependent on the mechanisms for accommodating deformation and on the interaction of reflection waves generated at sites of heterogeneities occurring at the scale of grains. Lastly, we develop a power-law description for the magnitude of scattering versus characteristic length, which provides a statistical framework for assessing the required number of grains per characteristic specimen dimension for minimizing scatter within these two experimental configurations (NPI, PSPI).

36 MATERIALS SCIENCE↗
NASA NTRS2002

Impact of MIE-Resonances on the Atmospheric Absorption of Water Clouds

Clouds strongly modulate radiative transfer processes in the Earth's atmosphere. Studies, which simulate bulk properties of clouds, such as absorption, require methods that accurately account for multiple scattering among individual cloud particles. Multiple scattering processes are well described by MIE-theory, if interacting particles have a spherical shape. This is a good assumption for water droplets. Thus, simulations for water clouds (especially for interactions with solar radiation) usually apply readily available MIE-codes. The presence of different drop-sizes, however, necessitates repetitive calculations for many sizes. The usual representation by a few sizes is likely to miss contributions from densely distributed, sharp resonances. Despite their usually narrow width, integrated over the entire size-spectrum of a cloud droplet distribution, the impact of missed resonances could add up. The consideration of these resonances tends to increase cloud extinction and cloud absorption. This mechanism for a larger (than by MIE-methods predicted) solar absorption has the potential to explain observational evidence of larger than predicted cloud absorption at solar wavelengths. The presentation will address the absorption impact of added resonances for typical properties of water clouds (e.g. drop size distributions, drop concentrations and cloud geometry). Special attention will be given to scenarios with observational evidence of law than simulated solar absorption; particularly if simultaneous measurements of cloud micro- and macrophysical properties are available.

Wiscombe, W.↗
DOE OSTI2023

Considerations for the temperature stratification in a pre-burn constant-volume combustion chamber

In recent years, the Engine Combustion Network (ECN) has developed as a worldwide reference for understanding and describing engine combustion processes, successfully bringing together experimental and numerical efforts. Since experiments and numerical simulations both target the same boundary conditions, an accurate characterization of the stratified environment that is inevitably present in experimental facilities is required. The difference between the core-, and pressure-derived bulk-temperature of pre-burn combustion vessels has been addressed in various previous publications. Additionally, thermocouple measurements have provided initial data on the boundary layer close to the injector nozzle, showing a transition to reduced ambient temperatures. The conditions at the start of fuel injection influence physicochemical properties of a fuel spray, including near nozzle mixing, heat release computations, and combustion parameters. To address the temperature stratification in more detail, thermocouple measurements at larger distances from the spray axis have been conducted. Both the temperature field prior to the pre-combustion event that preconditions the high-temperature, high-pressure ambient, as well as the stratification at the moment of fuel injection were studied. To reveal the cold boundary layer near the injector with a better spatial resolution, Rayleigh scattering experiments and thermocouple measurements at various distances close to the nozzle have been carried out. The impact of the boundary layers and temperature stratification are illustrated and quantified using numerical simulations at Spray A conditions. Next to a reference simulation with a uniform temperature field, six different stratified temperature distributions have been generated. These distributions were based on the mean experimental temperature superimposed by a randomized variance, again derived from the experiments. The results showed that an asymmetric flame structure arises in the computed results when the temperature stratification input is used. In these predictions, first-stage ignition is advanced by 24 $\mu$s , while second-stage ignition is delayed by 11 $\mu$s. At the same time a lift-off length difference between the top and the bottom of up to 1.1 mm is observed. Furthermore, the lift-off length is less stable over time. Given the shown dependency, the temperature data is made available along with the vessel geometry data as a recommended basis for future numerical simulations.

42 ENGINEERING↗
DOE OSTI2023

A divergence-free constrained magnetic field interpolation method for scattered data

An interpolation method to evaluate magnetic fields, given its unstructured and scattered magnetic data, is presented. The method is based on the reconstruction of the global magnetic field using a superposition of orthogonal functions. The coefficients of the expansion are obtained by minimizing a cost function defined as the L2 norm of the difference between the ground truth and the reconstructed magnetic field evaluated on the training data. The divergence-free condition is incorporated as a constraint in the cost function, allowing the method to achieve arbitrarily small errors in the magnetic field divergence. An exponential decay of the approximation error is observed and compared with the less favorable algebraic decay of local splines. Compared to local methods involving computationally expensive search algorithms, the proposed method exhibits a significant reduction of the computational complexity of the field evaluation, while maintaining a small error in the divergence even in the presence of magnetic islands and stochasticity. Finally, applications to the computation of Poincaré sections using data obtained from numerical solutions of the magnetohydrodynamic equations in toroidal geometry are presented and compared with local methods currently in use.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2008

Ion Anisotropy and High-Energy Variability of Large Solar Particle Events: A Comparative Study

We have made comparative studies of ion anisotropy and high-energy variability of solar energetic particle (SEP) events previously examined by the Solar, Heliospheric, and Interplanetary Environment (SHINE) Workshop campaign. We have found distinctly different characteristics of SEPs between two large "gradual" events having very similar solar progenitors (the 2002 April 21 and August 24 events). Since the scattering centers of SEPs are approximately frozen in the solar wind, we emphasize work in the solar-wind frame where SEPs tend to be isotropized, and small anisotropies are easier to detect. While in the August event no streaming reversal occurred, in the April event the field-aligned anisotropy of all heavy ions showed sign of streaming reversal. The difference in streaming reversal was consistent with the difference in the presence of the outer reflecting boundary. In the April event the magnetic mirror, which was located behind the interplanetary shock driven by the preceding coronal mass ejection (CME), could block the stream of SEPs, while in the August event SEPs escaped freely because of the absence of nearby boundary. The magnetic mirror was formed at the bottleneck of magnetic field lines draped around a flank of the preceding CME. In the previous SHINE event analysis the contrasting event durations and Fe/O ratios of the both events were explained as the interplay between shock geometry and seed population. Our new findings, however, indicate that event duration and time as well as spectral variation are also affected by the presence of a nearby reflecting boundary.

Tan, Lun C.↗
DOE OSTI2020

Single-ion magnetism in the extended solid-state: insights from X-ray absorption and emission spectroscopy

Large single-ion magnetic anisotropy is observed in lithium nitride doped with iron. The iron sites are two-coordinate, putting iron doped lithium nitride amongst a growing number of two coordinate transition metal single-ion magnets (SIMs). Uniquely, the relaxation times to magnetisation reversal are over two orders of magnitude longer in iron doped lithium nitride than other 3d-metal SIMs, and comparable with high-performance lanthanide-based SIMs. To understand the origin of these enhanced magnetic properties a detailed characterisation of electronic structure is presented. Access to dopant electronic structure calls for atomic specific techniques, hence a combination of detailed single-crystal X-ray absorption and emission spectroscopies are applied. Together K-edge, L 2,3 -edge and Kβ X-ray spectroscopies probe local geometry and electronic structure, identifying iron doped lithium nitride to be a prototype, solid-state SIM, clean of stoichiometric vacancies where Fe lattice sites are geometrically equivalent. Extended X-ray absorption fine structure and angular dependent single-crystal X-ray absorption near edge spectroscopy measurements determine Fe I dopant ions to be linearly coordinated, occupying a D 6h symmetry pocket. The dopant engages in strong 3dπ-bonding, resulting in an exceptionally short Fe–N bond length (1.873(7) Å) and rigorous linearity. It is proposed that this structure protects dopant sites from Renner–Teller vibronic coupling and pseudo Jahn–Teller distortions, enhancing magnetic properties with respect to molecular-based linear complexes. The Fe ligand field is quantified by L 2,3 -edge XAS from which the energy reduction of 3d z 2 due to strong 4s mixing is deduced. Quantification of magnetic anisotropy barriers in low concentration dopant sites is inhibited by many established methods, including far-infrared and neutron scattering. We deduce variable temperature L 3 -edge XAS can be applied to quantify the J = 7/2 magnetic anisotropy barrier, 34.80 meV (~280 cm –1 ), that corresponds with Orbach relaxation via the first excited, M J = ±5/2 doublet. The results demonstrate that dopant sites within solid-state host lattices could offer a viable alternative to rare-earth bulk magnets and high-performance SIMs, where the host matrix can be tailored to impose high symmetry and control lattice induced relaxation effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Relationship of attenuation in a vegetation canopy to physical parameters of the canopy

A discrete scatter model is employed to compute the radiometric response (i.e. emissivity) of a layer of vegetation over a homogeneous ground. This was done to gain insight into empirical formulas for the emissivity which have recently appeared in the literature and which indicate that the attenuation through the canopy is proportional to the water content of the vegetation and inversely proportional to wavelength raised to a power around unity. The analytical result assumes that the vegetation can be modeled by a sparse layer of discrete, randomly oriented particles (leaves, stalks, etc.). The attenuation is given by the effective wave number of the layer obtained from the solution for the mean wave using the effective field approximation. By using the Ulaby-El Rayes formula to relate the dielectric constant of the vegetation to its water content, it can be shown that the attenuation is proportional to water content. The analytical form offers insight into the dependence of the empirical parameters on other variables of the canopy, including plant geometry (i.e. shape and orientation of the leaves and stalks of which the vegetation is comprised), frequency of the measurement and even the physical temperature of the vegetation. Solutions are presented for some special cases including layers consisting of cylinders (stalks) and disks (leaves).

Karam, M. A.↗
DOE OSTI2025

Rapid Solidification Effects in Additively Manufactured Si and SiGe Compositions

SiGe alloys have a proven track record as robust high-temperature thermoelectric materials, powering NASA missions like SNAP-10A, LES-9, and Voyager 1 and 2. Enhancing thermoelectric efficiency hinges on minimizing thermal conductivity while preserving electrical conductivity. Rapid solidification via LPBF can generate microstructural features such as subgrain cellular boundaries and twinning, which may help reduce thermal conductivity while preserving semiconducting behavior. Here, this study investigates the potential of laser powder bed fusion (LPBF) additive manufacturing to fabricate nanostructured Si and SiGe thermoelectric materials. High cooling rates (10 5 to 10 7 K/s) rates inherent to the LPBF process are conducive to forming such nanostructures. Moreover, this fabrication technique could also be suitable for fabricating complex geometries needed to achieve improved device level performance. Process mapping of commercial Si powder with irregular morphology was first performed to understand the LPBF processing behavior of this semiconductor material. Subsequent studies included in-house synthesized B-doped (p-type) Si7 8 Ge 22 spherical powder that was produced via ultrasonic atomization. Scan strategies involved multiple laser exposures to mitigate solidification cracking: a high density of >98% was achieved, but solidification cracking could not be fully eliminated. Subsequently, a high electrical resistivity (i.e., low conductivity) was observed, but the measured Seebeck coefficient, ∼230 μV/K @ 500 °C, proved that good semiconductor material was being fabricated. A subgrain cellular structure (5–10 μm) was observed as defined by Ge segregation to the intercellular boundaries. The remelting strategies helped lower the cooling rates in processing SiGe, but this still resulted in high residual stresses, which induced a remarkably high density of twins (78–95%) to accommodate the deformation. This unique grain structure offers an avenue for phonon scattering and potential improvements in thermoelectric performance.

figure of merit↗
NASA NTRS1999

Ultraviolet, Optical and X-Ray Imaging of Selected Cygnus Loop Fields

During the Astro-1 and Astro-2 Space Shuttle missions in 1990 and 1995, far ultraviolet (FUV) images of five 40 ft diameter fields around the rim of the Cygnus Loop Super Nova Remnants (SNR) were observed with the Ultraviolet Imaging Telescope (UIT). These fields sample a broad range of SNR conditions including both radiative and non-radiative shocks in various geometries and scales. The UIT B5 band images discussed here sample predominantly ion-C4 lambda 1550 and the 2-photon continuum. Smaller contributions are made by emission lines of ion He-2 lambda 1640 and ion 03 lambda 1666. A unique aspect of the B5 band is its ability to sample the hydrogen 2-photon continuum from regions where the gas is recombining. We present these new FUV images and compare them with optical H-alpha and [ion O13], and ROSAT HRI X-ray images. In non-radiative shocks, existing 2-photon flux measurements from spectra and the H-alpha images suggest we are seeing approximately equal contributions from 2-photon and ion C4 emission. In radiative filaments, however, shock models and our images suggest ion C4 should dominate while spectra of specific locations seem to indicate that 2-photon emission dominates. We surmise that spectral observations on specific bright filaments have decreased locally-observed levels of ion C41 emission due to resonance scattering in that line.

Danforth, C. W.↗
DOE OSTI2020

(U) LNK3DNT Capability in SENSMG Tested with Transport Correction

The SENSMG multigroup neutron sensitivity code can read materials and geometry from redoin and lnk3dnt files written by the PARTISN multigroup discrete ordinates code or the MCNP6 Monte Carlo code. Reference 5 described an initial version of this capability. Reference 6 introduced two important extensions: 1) Reaction-rate ratios are now allowed as responses with redoin/lnk3dnt inputs; and 2) Sensitivities of reaction-rate ratios to mass densities and interface locations are now calculated (for all problems, not just redoin/lnk3dnt problems). In this report, we document the testing of the redoin/lnk3dnt capability when used with transport correction. PARTISN’s transport corrections are described in Ref. 3, and Refs. 7 and 8 discuss the calculation of cross-section sensitivities when transport corrections are applied. References 7 and 8 verify SENSMG for problems with transport correction using central differences. This report verifies the capability with redoin/lnk3dnt inputs by comparison with regular SENSMG inputs. Unlike Refs. 5 and 6, in this report we use a spherical test problem because the sensitivity of the response with respect to the highest-order scattering is zero in cylinders due to the use of flux moments in the inner products.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗