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At least 253 records · Page 14

Theoretical Investigations on the Plasmon-Mediated Dissociation of Small Molecules in the Presence of Silver Atomic Wires

Plasmonic nanoparticles can promote bond activation in adsorbed molecules under relatively benign conditions via excitation of the nanoparticle’s plasmon resonance. As the plasmon resonance often falls within the visible light region, plasmonic nanomaterials are a promising class of catalysts. However, the exact mechanisms through which plasmonic nanoparticles activate the bonds of nearby molecules are still unclear. Herein, we evaluate Ag 8 –X 2 (X = N, H) model systems via real-time time-dependent density functional theory (RT-TDDFT), linear response time-dependent density functional theory (LR-TDDFT), and Ehrenfest dynamics in order to better understand the bond activation processes of N 2 and H 2 facilitated by the presence of the atomic silver wire under excitation at the plasmon resonance energies. We find that dissociation is possible for both small molecules at high electric field strength. Activation of each adsorbate is symmetry- and electric field-dependent, and H 2 activates at lower electric field strengths than N 2 . Furthermore, this work serves as a step toward understanding the complex time-dependent electron and electron–nuclear dynamics between plasmonic nanowires and adsorbed small molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tale of Three Molecular Nitrides: Mononuclear Vanadium (V) and (IV) Nitrides As Well As a Mixed-Valence Trivanadium Nitride Having a V 3 N 4 Double-Diamond Core

Here, transmetallation of [VCl 3 (THF) 3 ] and [TlTp tBu,Me ] afforded [(Tp tBu,Me )VCl 2 ] (1, Tp tBu,Me = hydro-tris(3-tert-butyl-5-methylpyrazol-1-yl)borate), which was reduced with KC 8 to form a $C_{3v}$ symmetric V II complex, [(Tp tBu,Me )VCl] (2). Complex 1 has a high-spin ($\textit{S}$ = 1) ground state and displays rhombic high-frequency and -field electron paramagnetic resonance (HFEPR) spectra, while complex 2 has an $\textit{S}$ = 3/2 4 A 2 ground state observable by conventional EPR spectroscopy. Complex 1 reacts with NaN 3 to form the V V nitride-azide complex [(Tp tBu,Me )V≡N(N 3 )] (3). A likely V III azide intermediate en route to 3, [(Tp tBu,Me )VCl(N 3 )] (4), was isolated by reacting 1 with N 3 SiMe 3 . Complex 4 is thermally stable but reacts with NaN3 to form 3, implying a bis-azide intermediate, [(Tp tBu,Me )V(N 3 ) 2 ] (A), leading to 3. Reduction of 3 with KC 8 furnishes a trinuclear and mixed-valent nitride, [{(Tp tBu,Me )V} 2 ($μ_{4-}$VN 4 )] (5), conforming to a Robin–Day class I description. Complex 5 features a central vanadium ion supported only by bridging nitride ligands. Contrary to 1, complex 2 reacts with NaN 3 to produce an azide-bridged dimer, [{(Tp tBu,Me )V} 2 (1,3-$μ_2$-N 3 ) 2 ] (6), with two antiferromagnetically coupled high-spin V II ions. Complex 5 could be independently produced along with [($κ_2$-Tp tBu,Me ) 2 V] upon photolysis of 6 in arene solvents. The putative {V IV ≡N} intermediate, [(Tp tBu,Me )V≡N] (B), was intercepted by photolyzing 6 in a coordinating solvent, such as tetrahydrofuran (THF), yielding [(Tp tBu,Me )V≡N(THF)] (B-THF). In arene solvents, B-THF expels THF to afford 5 and [($κ_2$-Tp tBu,Me ) 2 V]. A more stable adduct (B-OPPh 3 ) was prepared by reacting B-THF with OPPh 3 . These adducts of B are the first neutral and mononuclear V IV nitride complexes to be isolated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Automatic interpretation of ERTS data for forest management

Automatic stratification of forested land from ERTS-1 data provides a valuable tool for resource management. The results are useful for wood product yield estimates, recreation and wild life management, forest inventory and forest condition monitoring. Automatic procedures based on both multi-spectral and spatial features are evaluated. With five classes, training and testing on the same samples, classification accuracy of 74% was achieved using the MSS multispectral features. When adding texture computed from 8 x 8 arrays, classification accuracy of 99% was obtained.

Kirvida, L.↗

Prefreshman and Cooperative Education Program

Of the 93 students enrolled in the PREFACE program over its four-year history, 70 are still in engineering school. Tables show profiles of student placement and participation from 1973 to 1977 (first semester completed). During the 1977 summer, 10 students were placed at NASA Goddard, 8 at DOE-Brookhaven, and 2 at American Can. Eleven students with less high school math preparation remained on campus for formal precalculus classes. Majors of the students in the program include civil, chemical, electrical, and mechanical engineering. Student satisfaction with their training experiences is summarized.

Source record↗

The helium abundance of Neptune from Voyager measurements

The He abundance in the Neptunian atmosphere is estimated using results from Voyager radio occultation and IR spectrometer measurements. It is found that the shape of the measured spectrum cannot be matched by spectra calculated from atmospheric models that include only gaseous opacity, indicating that there might exist an additional opacity source associated with clouds or hazes. The data obtained could be fit with either of the two general classes of horizontally homogeneous cloud opacity models: (1) a model consisting of a tropospheric cloud with an optical thickness at 200/cm between 1 and 8; and (2) a stratospheric cloud with an optical thickness between 0.2 and 0.8.

Conrath, B. J.↗

Design tradeoffs on engine-integrated hypersonic vehicles

Two classes of airbreathing hypersonic vehicle concepts, one for primarily cruise missions and the other for accelerator type missions, are presented. Both are designed with waverider airframes and hydrogen-fueled scramjet engine modules. Cruise configurations are optimized for the product of I(sp) and L/D while matching lift to weight and thrust to drag at some equivalence ratio. Accelerator configurations are optimized for effective specific impulse while matching lift to weight at an equivalence ratio of one. The method and computer code developed to optimize the configurations are discussed. The features and design tradeoffs for each class of vehicles are described. Recently available weight estimates for all-body waveriders have had a significant impact on the integrated configurations. Mach 8 vehicles at 40 km altitude optimized with the cruise objective function have L/Ds of 2.55 to 2.92 and I(sp)s of 2850 to 2940 sec. A Mach 14 vehicle at 40-km altitude optimized with the accelerator objective function has an I(sp) sub eff of 189 sec, and a Mach 10 vehicle an I(sp) sub eff of 880 sec.

O'Neill, Mary Kae L.↗

Stability Analysis of ISS Medications

It is known that medications degrade over time, and that extreme storage conditions will hasten their degradation. The temperature and humidity conditions of the ISS have been shown to be within the ideal ranges for medication storage, but the effects of other environmental factors, like elevated exposure to radiation, have not yet been evaluated. Current operational procedures ensure that ISS medications are re-stocked before expiration, but this may not be possible on long duration exploration missions. For this reason, medications that have experienced long duration storage on the ISS were returned to JSC for analysis to determine any unusual effects of aging in the low- Earth orbit environment. METHODS Medications were obtained by the JSC Pharmacy from commercial distributors and were re-packaged by JSC pharmacists to conserve up mass and volume. All medication doses were part of the ISS crew medical kit and were transported to the International Space Station (ISS) via NASA's Shuttle Transportation System (Space Shuttle). After 568 days of storage, the medications were removed from the supply chain and returned to Earth on a Dragon (SpaceX) capsule. Upon return to Earth, medications were transferred to temperature and humidity controlled environmental chambers until analysis. Nine medications were chosen on the basis of their availability for study. The medications included several of the most heavily used by US crewmembers: 2 sleep aids, 2 antihistamines/decongestants, 3 pain relievers, an antidiarrheal and an alertness medication. Each medication was available at a single time point; analysis of the same medication at multiple time points was not possible. Because the samples examined in this study were obtained opportunistically from medical supplies, there were no control samples available (i.e. samples aged for a similar period of time on the ground); a significant limitation of this study. Medications were analyzed using the HPLC/MS methods described in the United States Pharmacopeia (USP) to measure the amount of intact active ingredient, identify degradation products and measure their amounts. Some analyses were conducted by an independent analytical laboratory, but certain (Schedule) medications could not be shipped to their facility and were analyzed at JSC. RESULTS Nine medications were analyzed with respect to active pharmaceutical ingredient (API) and degradant amounts. Results were compared to the USP requirements for API and degradants/impurities content for every FDA-approved medication. One medication met USP requirements at 5 months after its expiration date. Four of the nine (44% of those tested) medications tested met USP requirements up to 8 months post-expiration. Another 3 medications (33% of those tested) met USP guidelines 2-3 months before expiration. One medication, a compound classed by the FDA as a dietary supplement and sometimes used as a sleep aid, failed to meet USP requirements at 11 months post-expiration. CONCLUSION Analysis of each medication at a single time point provides limited information on the stability of a medication stored in particular conditions; it is not possible to predict how long a medication may be safe and effective from these data. Notwithstanding, five of the nine medications tested (56%) met USP requirements for API and degradants/impurities at least 5 months past expiration dates. The single compound that failed to meet USP requirements is not regulated as strictly as prescription medications are during manufacture; it is unknown if this medication would have met the requirements prior to flight. Notably, it was the furthest beyond its expiration date. Only more comprehensive analysis of flight-aged samples compared to appropriate ground controls will permit determination of spaceflight effects on medication stability.

Wotring, V. E.↗

NASA's Space Launch System: Unprecedented Payload Capabilities

As NASA turns 60 and plans to transition the International Space Station (ISS) and other low-Earth orbit (LEO) activities to commercial enterprises, the Agency's human exploration program turns its focus to deep space. With missions planned to send astronauts back to the Moon and to construct a lunar orbiting Gateway for surface access as well as science experiments and technology demonstrations, NASA requires a vehicle with capabilities for launching more mass and volume than is currently commercially available. To that end, NASA and its private sector partners are building the Space Launch System (SLS) super heavy-lift launch vehicle, which will send the new Orion crew capsule, eventually with a complement of four astronauts, to cislunar space for the first time since the Apollo Program in the 1960s and 1970s. NASA Kennedy Space Center's (KSC's) Exploration Ground Systems (EGS) Program has upgraded and refurbished ground and launch facilities to process, assemble and launch NASA's new deep space exploration system, which is managed by the Exploration Systems Development (ESD) organization in the Human Exploration and Operations Mission Directorate (HEOMD). Offering an unmatched combination of power, payload capacity and departure energy, the evolvable SLS features the world's most proven propulsion system: solid rocket boosters and RS-25 main engines with a modified Delta Cryogenic Second Stage (DCSS) cryogenic upper stage. The initial SLS configuration, Block 1, will deliver at least 26 metric tons (t) to trans-lunar injection (TLI). The second variant, Block 1B, will deliver at least 34 t to TLI in its crew configuration and at least 40 t to TLI in its cargo configuration. The Block 1 cargo vehicle will fly with an industry-standard 5 m fairing while the Block 1B cargo configuration will accommodate 8 m-diameter fairings in varying lengths. The Block 2 vehicle will incorporate upgraded boosters and possibly larger fairings for launching Mars-class payloads to deep space. Although designed to enable human exploration of deep space, the vehicle also provides game-changing benefits for large science payloads and even harnesses excess capacity to provide small satellites with access to deep space. Three flights of the Block 1 vehicle are now planned; the first vehicle, being built for a test flight known as Exploration Mission-1 (EM-1), is nearing completion at NASA and contractor sites across the United States. In fact, hardware for the second mission has also been built. This paper will provide an overview of the SLS vehicle, with a focus on its payload accommodations and the missions enabled by the unprecedented payload volume and departure energy of SLS. This paper also describes the status of the manufacturing and integration for first flight and beyond.

Exploration Mission-1↗

CLASS: Coronal Line Activity Spectroscopic Survey

We conduct the first systematic survey of a comprehensive set of the twenty optical coronal lines in the spectra of nearly 1 million galaxies observed by the Sloan Digital Sky Survey (SDSS) Data Release 8 catalog. This includes often overlooked high ionization potential lines such as [Ar x] λ5533, [S XII ] λ7609, [Fe XI ] λ7892, and [Fe XIV ] λ5303. We find that, given the limited sensitivity of SDSS, strong coronal line emission is extremely rare, with only ~0.03% of the sample showing at least one coronal line, significantly lower than the fraction of galaxies showing optical narrow line ratios (~17%) or mid-infrared colors (~2%) indicative of nuclear activity. The coronal line luminosities exhibit a large dynamic range, with values ranging from ~10 34 to 10 42 erg s –1 . We find that a vast majority (~80%) of coronal line emitters in dwarf galaxies (M $\star$ < 9.6 × 10 9 M ⊙ ) do not display optical narrow line ratios indicative of nuclear activity, in contrast to higher mass galaxies (~17%). Moreover, we find that the highest ionization potential lines are preferentially found in lower mass galaxies. These findings are consistent with the theory that lower mass black holes found in lower mass galaxies produce a hotter accretion disk, which in turn enhances the higher ionization coronal line spectrum. Future coronal line searches with 30 m class telescopes or JWST may provide a pathway into uncovering the intermediate mass black hole population.

79 ASTRONOMY AND ASTROPHYSICS↗

Automatic photointerpretation for plant species and stress identification (ERTS-A1)

The author has identified the following significant results. Automatic stratification of forested land from ERTS-1 data provides a valuable tool for resource management. The results are useful for wood product yield estimates, recreation and wildlife management, forest inventory, and forest condition monitoring. Automatic procedures based on both multispectral and spatial features are evaluated. With five classes, training and testing on the same samples, classification accuracy of 74 percent was achieved using the MSS multispectral features. When adding texture computed from 8 x 8 arrays, classification accuracy of 90 percent was obtained.

Swanlund, G. D.↗

The Explorer of Diffuse Galactic Emission (EDGE): Determining the Large-Scale Structure Evolution in the Universe

Measurements of the large-scale anisotropy of the Cosmic Infared Background (CIB) can be used to determine the characteristics of the distribution of galaxies at the largest spatial scales. With this information important tests of galaxy evolution models and primordial structure growth are possible. In this paper, we describe the scientific goals, instrumentation, and operation of EDGE, a mission using an Antarctic Long Duration Balloon (LDB) platform. EDGE will osbserve the anisotropy in the CIB in 8 spectral bands from 270 GHz-1.5 THz with 6 arcminute angular resolution over a region -400 square degrees. EDGE uses a one-meter class off-axis telescope and an array of Frequency Selective Bololeters (FSB) to provide the compact and efficient multi-colar, high sensitivity radiometer required to achieve its scientific objectives.

Silverberg, R. F.↗

PDC19 Impact Exercise: Probabilistic Asteroid Impact Risk Assessment

Probabilistic Asteroid Impact Risk (PAIR) - PDC (Planetary Defense Conference) 2019 Hypothetical Exercise, NASA Ames, Asteroid Threat Assessment Project (ATAP) - Characterization Summary and Updates: Assessment date: 19 April 2027; Impact date: 29 April 2027 (10 days); Earth impact probability: 100 percent, New York Area; Diameter (meters): 60 plus or minus 10 (1 minus sigma), range 26–93; Energy: mean 11 megatons, range 650 kilotons to 46 megatons; Type: S class, remaining chunk of disrupted contact binary. Risk Summary: Affected population: mean 2.4 million, range zero to 10.2 million; Likely airburst at approximately16 kilometers altitude (8 to 29 kilometers); Blast overpressure is primary hazard; Damage out to approximately 70 kilometers if larger, lower burst; Little-to-no damage if burst is small and high.

Wheeler, Lorien↗

Mark Twain National Forest Ecological Forecasting - Utilizing NASA Earth Observations to Classify Ground Cover Types in the Mark Twain National Forest

The Mark Twain National Forest (MTNF) encompasses 1.5 million acres of public land in the Ozarks region of southeastern Missouri. The industrial boom between the 1880s and 1920s had devastating effects on the shortleaf pine (Pinus echinata),Missouri’s only native pine species. The combination of fire suppression on this fire-dependent species and timber harvest of mature pine stands inhibited the development of pine seedlings and promoted the establishment of hardwood stands. Partners at the US Forest Service’s MTNF are currently involved in restoration efforts in two ranger districts, which includes removing invasive eastern red cedar (Juniperus virginiana) and prescribed burning. To expand spatial coverage for the MTNF beyond in situ observation sites, the NASA DEVELOP team analyzed land cover change from 1986 through 2019 and forecasted changes based on a ‘business-as-usual' scenario out to 2040. The team incorporated remotely sensed data from Landsat 5 Thematic Mapper (TM) and Landsat 8 Operational Land Imager (OLI) into the random trees supervised classification tool in ArcGIS Pro. This tool spectrally separated pixels into five distinct land cover classes and produced classifications for 1986 and 2019, with kappa statistics of 0.87 and 0.81, respectively. Overall, there was a net decrease in conifer and meadow land cover between 1986 and 2019 along with a net increase in water, developed, and deciduous land cover. The team used TerrSet’s Land Change Modeler to forecast land cover through 2040. Results showed an increase in coniferous land cover and a decrease in deciduous cover, indicating a high probability that current restoration efforts will produce the intended effect.

Kaitlyn Bretz↗

Mark Twain National Forest Ecological Forecasting: Utilizing NASA Earth Observations to Classify Ground Cover Types in the Mark Twain National Forest

The Mark Twain National Forest (MTNF) encompasses 1.5 million acres of public land in the Ozarks region of southeastern Missouri. The industrial boom between the 1880s and 1920s had devastating effects on the shortleaf pine (Pinus echinata),Missouri’s only native pine species. The combination of fire suppression on this fire-dependent species and timber harvest of mature pine stands inhibited the development of pine seedlings and promoted the establishment of hardwood stands. Partners at the US Forest Service’s MTNF are currently involved in restoration efforts in two ranger districts, which includes removing invasive eastern red cedar (Juniperus virginiana) and prescribed burning. To expand spatial coverage for the MTNF beyond in situ observation sites, the NASA DEVELOP team analyzed land cover change from 1986 through 2019 and forecasted changes based on a ‘business-as-usual' scenario out to 2040. The team incorporated remotely sensed data from Landsat 5 Thematic Mapper (TM) and Landsat 8 Operational Land Imager (OLI) into the random trees supervised classification tool in ArcGIS Pro. This tool spectrally separated pixels into five distinct land cover classes and produced classifications for 1986 and 2019, with kappa statistics of 0.87 and 0.81, respectively. Overall, there was a net decrease in conifer and meadow land cover between 1986 and 2019 along with a net increase in water, developed, and deciduous land cover. The team used TerrSet’s Land Change Modeler to forecast land cover through 2040. Results showed an increase in coniferous land cover and a decrease in deciduous cover, indicating a high probability that current restoration efforts will produce the intended effect.

DEVELOP Tech Paper↗

Titan Explorer mission trades from the perspective of aerocapture

A detailed Titan aerocapture systems analysis and spacecraft design study was performed as part of NASA's In-Space Propulsion Program. The primary objective was to engineer a point design based on blunt body aeroshell technology and quantitatively assess feasibility and performance. This paper reviews the launch vehicle, propulsion, and trajectory options to reach Titan in the 2010-2015 time frame using aerocapture and all-propulsive vehicles. It establishes the range of entry conditions that would be consistent with delivering a 360 kg entry vehicle plus a 580 kg orbiter to Titan. Results show that inertial entry velocities in the range of 5.3 to 6.6 kmls are to be expected for chemical and solar electric propulsion options with Venus and/or Earth gravity assists. Trip times range from approximately 6 years for aerocapture orbiters to 8-11 years for all-propulsive vehicles. In addition to trip time reduction, the use of aerocapture enables the mission with a Delta 4450 class launch vehicle as opposed to an all-propulsive orbit insertion approach, which requires a Delta IV heavy or Titan IV class launch vehicle.

Bailey, Robert W.↗

Electric Drive Technologies Consortium (EDTC)/ Cost competitive, high-Performance, highly Reliable (CPR) Power Devices on 4H-SiC (Final Report)

4H-Silicon carbide (4H-SiC) is a wide bandgap semiconductor that offers superior material properties over silicon, including higher critical electric field, thermal conductivity, and electron saturation velocity. These advantages make 4H-SiC highly attractive for high-voltage, high-efficiency power electronics. However, realizing the full potential of SiC requires device technologies that are not only high-performing but also manufacturable and reliable under real-world operating conditions. This report summarizes the outcomes of a five-year R&D effort funded by the U.S. Department of Energy (DOE) under the Electric Drive Technologies Consortium (EDTC), focused on developing cost-competitive, high-performance, and highly reliable (CPR) power devices on 4H-SiC substrates. The program targeted scalable and manufacturable 1.2 kV-class SiC MOSFETs optimized for next-generation electric vehicles, renewable energy systems, and industrial power conversion. The project delivered transformative advancements in SiC power device performance and ruggedness. Particularly, Specific on-resistance (R on,sp ) was reduced by up to 37%, from ~4.0 m$\Omega \cdot$cm 2 in earlier designs to an industry-leading 2.40 m$\Omega \cdot$cm 2 , driven by optimized doping, refined JFET widths, and layout engineering. Breakdown voltages (BV) exceeded 1600 V, marking improvement over legacy baselines, and demonstrating the robustness of newly implemented junction profiles and edge terminations. Short-circuit withstand time (SCWT) saw a remarkable 4$\times$ increase, from ~2 $\mu$s to over 8 $\mu$s, achieved through the successful deployment of deep P-well structures (~1.8–2.0 $\mu$m) via channeling implantation. This innovative process breakthrough enabled precise junction formation without MeV-class implantation tools, reduced leakage under high field stress, and allowed even the shortest-channel devices (down to 0.3 $\mu$m) to achieve both high BV and excellent ruggedness—breaking the traditional trade-off between conduction efficiency and blocking capability. Several novel architectures pushed the performance envelope further. JBSFETs—featuring embedded Schottky portions—eliminated bipolar degradation and drastically reduced third-quadrant leakage, while Ladder MOSFETs introduced a clever orthogonal conduction path that achieved a 15.4% reduction in R on,sp over standard linear designs. Switching performance reached new benchmarks: short-channel devices showed a 31% reduction in total switching energy compared to 0.5 $\mu$m counterparts, while maintaining manageable gate drive requirements. Layout-optimized structures not only improved transconductance but also accelerated switching transitions, pointing to real-world benefits in converter-level efficiency. The devices also passed rigorous reliability validation. Stress-tested across TDDB, HTGB, HTRB, HVP, and burn-in, the devices screened under 30 V/10 hr and 43 V/1 s protocols consistently exhibited tighter lifetime distributions and long-term oxide robustness. These screening techniques proved effective in identifying latent defects and ensuring deployment-grade reliability. Meanwhile, advanced 3D TCAD simulations revealed and resolved electric field hotspots—particularly in HEXFET corners—where fields exceeding 4.8 MV/cm were mitigated through geometry-aware layout corrections. Overall, the results of this project demonstrate a manufacturable and scalable SiC power device platform that addresses key DOE performance targets for efficient, robust, and reliable 1.2kV 4H-SiC Power Devices. The developed technologies represent a meaningful step forward in the commercial readiness of high-voltage SiC solutions and provide a strong foundation for continued advancement in wide bandgap power electronics.

42 ENGINEERING↗

The Subchalcogenides Ir 2 In 8 Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation

Subchalcogenides are uncommon compounds where the metal atoms are in unusually low formal oxidation states. They bridge the gap between intermetallics and semiconductors and can have unexpected structures and properties because of the exotic nature of their chemical bonding as they contain both metal–metal and metal–main group (e.g., halide, chalcogenide) interactions. Finding new members of this class of materials presents synthetic challenges as attempts to make them often result in phase separation into binary compounds. We overcome this difficulty by utilizing indium as a metal flux to synthesize large (millimeter scale) single crystals of novel subchalcogenide materials. Herein, we report two new compounds Ir 2 In 8 Q (Q = Se, Te) and compare their structural and electrical properties to the previously reported Ir 2 In 8 S analogue. Ir 2 In 8 Se and Ir 2 In 8 Te crystallize in the $P_{4_2}$/mnm space group and are isostructural to Ir2In8S, but also have commensurately modulated (with q vectors q = 1/6a* + 1/6b* and q = 1/10a* + 1/10b* for Ir 2 In 8 Se and Ir 2 In 8 Te, respectively) low-temperature phase transitions, where the chalcogenide anions in the channels experience a distortion in the form of In–Q bond alternation along the ab plane. Both compounds display re-entrant structural behavior, where the supercells appear on cooling but revert to the original subcell below 100 K, suggesting competing structural and electronic interactions dictate the overall structure. Notably, these materials are topological semimetal candidates with symmetry-protected Dirac crossings near the Fermi level and exhibit high electron mobilities (~1500 cm 2 V –1 s –1 at 1.8 K) and moderate carrier concentrations (~10 20 cm –3 ) from charge transport measurements. This work highlights metal flux as a synthetic route to high quality single crystals of novel intermetallic subchalcogenides with Dirac semimetal behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Absorption Efficiencies of Forsterite. I: DDA Explorations in Grain Shape and Size

We compute the absorption efficiency (Q(sub abs)) of forsterite using the discrete dipole approximation (DDA) in order to identify and describe what characteristics of crystal grain shape and size are important to the shape, peak location, and relative strength of spectral features in the 8 - 40 micron wavelength range. Using the DDSCAT code, we compute Q(sub abs) for non-spherical polyhedral grain shapes with a(sub eff) = 0.1 micron. The shape characteristics identified are: 1) elongation/reduction along one of three crystallographic axes; 2) asymmetry, such that all three crystallographic axes are of different lengths; and 3) the presence of crystalline faces that are not parallel to a specific crystallographic axis, e.g., non-rectangular prisms and (di)pyramids. Elongation/reduction dominates the locations and shapes of spectral features near 10, 11, 16, 23.5, 27, and 33.5 micron, while asymmetry and tips are secondary shape effects. Increasing grain sizes (0.1 - 1.0 micron) shifts the 10, 11 micron features systematically towards longer wavelengths and relative to the 11 micron feature increases the strengths and slightly broadens the longer wavelength features. Seven spectral shape classes are established for crystallographic a-, b-, and c-axes and include columnar and platelet shapes plus non-elongated or equant grain shapes. The spectral shape classes and the effects of grain size have practical application in identifying or excluding columnar, platelet or equant forsterite grain shapes in astrophysical environs. Identification of the shape characteristics of forsterite from 8 - 40 micron spectra provides a potential means to probe the temperatures at which forsterite formed.

circumstellar matter↗