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At least 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Benefits of Low-Power Electrothermal Propulsion

Mission analyses were completed to show the benefits of low-power electrothermal propulsion systems for three classes'of LEO smallsat missions. Three different electrothermal systems were considered: (1) a 40 W ammonia resistojet system, (2) a 600 W hydrazine arcjet system, and (3) a 300 W ammonia resistojet. The benefits of using two 40 W ammonia resistojet systems were analyzed for three months of drag makeup of a Shuttle-launched 100 kg spacecraft in a 297 km orbit. The two 46 W resistojets decreased the propulsion system wet mass by 50% when compared to state-of-art hydrazine monopropellant thrusters. The 600 W arcjet system was used for a 300 km sun synchronous makeup mission of a 1000 kg satellite and was found to decrease the wet propulsion mass by 30%. Finally, the 300 W arcjet system was used on a 200 kg Earth-orbiting spacecraft for both orbit transfer from 300 to 400 km, two years of drag makeup, and a final orbit rise to 700 km. The arcjet system was determined to halve the propulsion system wet mass required for that scenario as compared to hydrazine monopropellant thrusters.

Oleson, Steven R.↗
NASA NTRS1995

Spectral Changes in Metal Halide and High-pressure Sodium Lamps Equipped with Electronic Dimming

Electronic dimming of high-intensity discharge lamps offers control of photosynthetic photon flux (PPF) but is often characterized as causing significant spectral changes. Growth chambers with 400-W metal halide (MH) and high-pressure sodium (HPS) lamps were equipped with a dimmer system using silicon-controlled rectifiers (SCR) as high-speed switches. Phase control operation turned the line power off for some period of the alternating current cycle. At full power, the electrical input to HPS and MH lamps was 480 W (root mean squared) and could be decreased to 267 W and 428 W, respectively, before the arc was extinguished. Concomitant with this decrease in input power, PPF decreased by 60% in HPS and 50% in MH. The HPS lamp has characteristic spectral peaks at 589 and 595 nm. As power to the HPS lamps was decreased, the 589-nm peak remained constant while the 595-nm peak decreased, equaling the 589-nm peak at 345-W input, and the 589-nm peak was almost absent at 270-W input. The MH lamp has a broader spectral output but also has a peak at 589 nm and another smaller peak at 545 nm. As input power to the MH lamps decreased, the peak at 589 diminished to equal the 545-nm peak. As input power approached 428 W, the 589-nm peak shifted to 570 nm. While the spectrum changed as input power was decreased in the MH and HPS lamps, the phytochrome equilibrium ratio (P(sub fr):P(sub tot)) remains unchanged for both lamp types.

Bubenheim, David L.↗
NASA NTRS1995

Spectral Changes in Metal Halide and High-Pressure Sodium Lamps Equipped with Electronic Dimming

Electronic dimming of high-intensity discharge lamps offers control of Photosynthetic Photon Flux (PPF) but is often characterized as causing significant spectral changes. Growth chambers with 400-W Metal Halide (MH) and High-Pressure Sodium (HPS) lamps were equipped with a dimmer system using Silicon-Controlled Rectifiers (SCR) as high-speed switches. Phase control operation turned the line power off for some period of the alternating current cycle. At full power, the electrical input to HPS and MH lamps was 480 W (root mean squared) and could be decreased to 267 W and 428 W, respectively, before the arc was extinguished. Concomitant with this decrease in input power, PPF decreased by 60% in HPS and 50% in MH. The HPS lamp has characteristic spectral peaks at 589 and 595 nm. As power to the HPS lamps was decreased, the 589-nm peak remained constant while the 595-nm peak decreased, equaling the 589-nm peak at 345-W input, and 589-nm peak was almost absent at 270-W input. The MH lamp has a broader spectral output but also has a peak at 589 nm and another smaller peak at 545 nm. As input power approached 428 W, the 589-nm peak shifted to 570 nm. While the spectrum changed as input power was decreased in the MH and HPS lamps, the phytochrome equilibrium ratio (P(sub ft):P(sub tot)) remains unchanged for both lamp types.

Bubenheim, David L.↗
NASA NTRS2004

Method of Generating Transient Equivalent Sink and Test Target Temperatures for Swift BAT

The NASA Swift mission has a 600-km altitude and a 22 degrees maximum inclination. The sun angle varies from 45 degrees to 180 degrees in normal operation. As a result, environmental heat fluxes absorbed by the Burst Alert Telescope (BAT) radiator and loop heat pipe (LHP) compensation chambers (CCs) vary transiently. Therefore the equivalent sink temperatures for the radiator and CCs varies transiently. In thermal performance verification testing in vacuum, the radiator and CCs radiated heat to sink targets. This paper presents an analytical technique for generating orbit transient equivalent sink temperatures and a technique for generating transient sink target temperatures for the radiator and LHP CCs. Using these techniques, transient target temperatures for the radiator and LHP CCs were generated for three thermal environmental cases: worst hot case, worst cold case, and cooldown and warmup between worst hot case in sunlight and worst cold case in the eclipse, and three different heat transport values: 128 W, 255 W, and 382 W. The 128 W case assumed that the two LHPs transport 255 W equally to the radiator. The 255 W case assumed that one LHP fails so that the remaining LHP transports all the waste heat from the detector array to the radiator. The 382 W case assumed that one LHP fails so that the remaining LHP transports all the waste heat from the detector array to the radiator, and has a 50% design margin. All these transient target temperatures were successfully implemented in the engineering test unit (ETU) LHP and flight LHP thermal performance verification tests in vacuum.

Choi, Michael K.↗
NASA NTRS2010

Metal/Silicate Partitioning at High Pressures and Temperatures

The behavior of siderophile elements during metal-silicate segregation, and their resulting distributions provide insight into core formation processes. Determination of partition coefficients allows the calculation of element distributions that can be compared to established values of element abundances in the silicate (mantle) and metallic (core) portions of the Earth. Moderately siderophile elements, including W, are particularly useful in constraining core formation conditions because they are sensitive to variations in T, P, oxygen fugacity (fO2), and silicate composition. To constrain the effect of pressure on W metal/silicate partitioning, we performed experiments at high pressures and temperatures using a multi anvil press (MAP) at NASA Johnson Space Center and laser-heated diamond anvil cells (LHDAC) at the University of Maryland. Starting materials consisted of natural peridotite mixed with Fe and W metals. Pressure conditions in the MAP experiments ranged from 10 to 16 GPa at 2400 K. Pressures in the LHDAC experiments ranged from 26 to 58 GPa, and peak temperatures ranged up to 5000 K. LHDAC experimental run products were sectioned by focused ion beam (FIB) at NASA JSC. Run products were analyzed by electron microprobe using wavelength dispersive spectroscopy. Liquid metal/liquid silicate partition coefficients for W were calculated from element abundances determined by microprobe analyses, and corrected to a common fO2 condition of IW-2 assuming +4 valence for W. Within analytical uncertainties, W partitioning shows a flat trend with increasing pressure from 10 to 16 GPa. At higher pressures, W becomes more siderophile, with an increase in partition coefficient of approximately 0.5 log units.

Shofner, G.↗
NASA NTRS2016

An Efficient Single Frequency Ho:YLF Laser for IPDA Lidar Applications

A highly efficient, versatile, single frequency 2-micron pulsed laser can be used in a pulsed Differential Absorption Lidar (DIAL) / Integrated Path Differential Absorption (IPDA) instrument to make precise, high-resolution measurements to investigate sources and sinks of CO2. For a direct detection IPDA lidar, the desired 2 m Ho:YLF laser should generate 30-40 mJ pulses at the repetition rate of 100 to 200 Hz, with short pulse length (<100 ns) and better than 2% wall plug efficiency. A Tm fiber laser in-band pumped Ho:YLF laser has been developed to meet this technical challenge. This Ho:YLF laser is designed in a four mirror ring resonator with bow tie configuration, which helps to obtain high beam quality. It is end-pumped by a 40 W linearly polarized Tm fiber laser at 1.94μm. The resonator length is 1.10 meters with output coupler reflectivity at 45%. The laser crystal size is 3 x 3 x 60 mm (w, h, l) with a doping concentration of 0.5% Holmium. The laser beam and pump beam are mode-matched in the active medium. Thus, the pump and laser beams have the same confocal parameters. Mode-matching is also helpful for operating the laser in a single transverse mode. The laser beam waist is slightly less than 0.5 mm at the center of the laser crystal. Based on quasi-four level modeling, pump absorption and saturation depend on laser intensity. Laser amplification and saturation also depend on the pump intensity in the crystal. The laser is injection seeded to obtain the single frequency required by an IPDA lidar measurement. The seed beam is entered into the resonator through an output coupler. The laser is mounted on a water cooled optical bench for stable and reliable operation. The size of the optical bench is 22.16 x 9.20 x 1.25 inches. It is stiffened so that the laser can be operated in any orientation of the optical bench. This packaged Ho:YLF laser is designed for either mobile trailer or airborne platform operation. The engineering prototype Ho:YLF laser has been fully characterized to demonstrate laser performance. Figure 1 shows the laser output power as a function of pump power at different pulse repetition rates from 100 Hz to 333 Hz. The threshold of the laser is less than 14 W. The slope efficiencies are 28%, 40%, 41% and 43% for pulse repetition rates of 100, 200, 250 and 333 Hz, respectively. Maximum power increases with the pulse repetition rate. Output power of 4.2 W, 6 W, 6.7 W, and 7.7 W is achieved for pulse repetition rates of 100, 200, 250 and 333Hz, respectively. This represents the optical conversion efficiency of 16.7%, 22.4%, 23.7%, and 26.5% at these various pulse repletion rates. It is the most efficient and compact Ho:YLF laser demonstrated in the high pulse energy (>20mJ) and moderate pulse repetition rate (100's Hz) operation range. As shown in Figure 1, the maximum pulse energy at 100 Hz is 42 mJ. This is limited due to optical damage. The laser stability is characterized and found to be very stable. A relative pulse energy standard deviation of 2% was measured. The beam quality of the Ho:YLF was measured by a Spiricon infrared laser beam camera. Figure 2 shows the beam profile image of the laser. Both the X-profile of the beam (horizontal direction) and the Y-profile of the beam (vertical direction) are well fitted by a Gaussian profile. The qualitative beam quality measurement shows excellent beam quality in both axis. The M-square value for the laser beam is measured at 1.06 and 1.09 for the x and y axis respectively.-

Yu, J.↗
NASA NTRS2017

Direct Estimation of the Global Distribution of Vertical Velocity Within Cirrus Clouds

Cirrus clouds determine the radiative balance of the upper troposphere and the transport of water vapor across the tropopause.The representation of vertical wind velocity, W, in atmospheric models constitutes the largest source of uncertainty in the calculation of the cirrus formation rate. Using global atmospheric simulations with a spatial resolution of 7 kilometers we obtain for the first time a direct estimate of the distribution of W at the scale relevant for cirrus formation, validated against long-term observations at two different ground sites. The standard deviation in W, sigma (sub W), varies widely over the globe with the highest values resulting from orographic uplift and convection, and the lowest occurring in the Arctic. Globally about 90 of the simulated sigma (sub W) values are below 0.1 meters per second and about one in 10 (sup 4) cloud formation events occur in environments with sigma (sub W) greater than 0.8 meters per second. Combining our estimate with reanalysis products and an advanced cloud formation scheme results in lower homogeneous ice nucleation frequency than previously reported, and a decreasing average ice crystal concentration with decreasing temperature. These features are in agreement with observations and suggest that the correct parameterization of sigma (sub W) is critical to simulate realistic cirrus properties.

Radiative Balance↗
NASA NTRS2022

CLEAR: Boosted Lyα Transmission of the Intergalactic Medium in UV-bright Galaxies

Reionization is an inhomogeneous process, thought to begin in small ionized bubbles of the intergalactic medium (IGM) around overdense regions of galaxies. Recent Lyα studies during the epoch of reionization show evidence that ionized bubbles formed earlier around brighter galaxies, suggesting higher IGM transmission of Lyα from these galaxies. We investigate this problem using IR slitless spectroscopy from the Hubble Space Telescope (HST) Wide-Field Camera 3 (WFC3) G102 grism observations of 148 galaxies selected via photometric redshifts at 6.0 < z < 8.2. These galaxies have spectra extracted from the CANDELS Lyα Emission at Reionization (CLEAR) survey. We combine the CLEAR data for 275 galaxies with the Keck Deep Imaging Multi-Object Spectrograph and MOSFIRE data set from the Texas Spectroscopic Search for Lyα Emission at the End of Reionization Survey. We constrain the Lyα equivalent width (EW) distribution at 6.0 < z < 8.2, which is described by an exponential form, dN / dEW ∝ exp(-EW) W(sub 0), with the characteristic e-folding scale width (W(sub 0)). We confirm a significant drop in the Lyα strength (i.e., W(sub 0)) at z > 6. Furthermore, we compare the redshift evolution of W(sub 0) between galaxies at different UV luminosities. UV-bright (M(sub UV) < −21 [i.e., L(sub UV) > L*]) galaxies show weaker evolution with a decrease of 0.4 ( ± 0.2) dex in W(sub 0) at z > 6, while UV-faint (M(sub UV) > −21 [LUV < L*]) galaxies exhibit a significant drop of 0.7–0.8 (±0.2) dex in W(sub 0) from z < 6 to z > 6. If the change in W(sub 0) is proportional to the change in the IGM transmission for Lyα photons, then this is evidence that the transmission is “boosted” around UV-brighter galaxies, suggesting that reionization proceeds faster in regions around such galaxies.

Reionization↗
DOE OSTI2023

Search for supersymmetry in final states with a single electron or muon using angular correlations and heavy-object identification in proton-proton collisions at $ \sqrt{s} $ = 13 TeV

A search for supersymmetry is presented in events with a single charged lepton, electron or muon, and multiple hadronic jets. The data correspond to an integrated luminosity of 138 fb –1 of proton-proton collisions at a center-of-mass energy of 13 TeV, recorded by the CMS experiment at the CERN LHC. The search targets gluino pair production, where the gluinos decay into final states with the lightest supersymmetric particle (LSP) and either a top quark-antiquark ($\text{t}\bar{\text{t}}$ pair, or a light-flavor quark-antiquark ($\text{q}\bar{\text{q}}$ pair and a virtual or on-shell W boson. The main backgrounds, $\text{t}\bar{\text{t}}$ pair and W+jets production, are suppressed by requirements on the azimuthal angle between the momenta of the lepton and of its reconstructed parent W boson candidate, and by top quark and W boson identification based on a machine-learning technique. The number of observed events is consistent with the expectations from standard model processes. Limits are evaluated on supersymmetric particle masses in the context of two simplified models of gluino pair production. Exclusions for gluino masses reach up to 2120 (2050) GeV at 95% confidence level for a model with gluino decay to a $\text{t}\bar{\text{t}}$ pair (a $\text{q}\bar{\text{q}}$ pair and a W boson) and the LSP. For the same models, limits on the mass of the LSP reach up to 1250 (1070) GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Tungsten and molybdenum isotopic evidence for an impact origin of pallasites

The origin of pallasites—stony-iron meteorites mainly composed of olivine and Fe-Ni metal—is debated and proposed formation scenarios broadly range from models that explain pallasite formation by internal processes in the mantle of a differentiated planetesimal to those that involve impact–induced mixing of core and mantle materials. Here, the origin of pallasites is examined by studying the nebular source regions of their precursor material using Mo isotopes and their history of metal-silicate segregation using Hf-W chronometry. We report new Mo and W isotopic data for a large suite of pallasite metal samples, alongside Pt isotope data to quantify superimposed cosmic ray exposure effects. Most main-group pallasites exhibit uniform pre-exposure 182 W and Mo isotopic compositions that bear an excellent similarity to those of IIIAB iron meteorites. Four main-group pallasites and the IIIAB iron Thunda have more radiogenic pre-exposure 182 W compositions, but display the same Mo isotopic composition as other main-group pallasites and IIIAB irons. This strong chronological and genetic link strongly suggests that main-group pallasite metal originated in the IIIAB parent body core. This, combined with prior Pd-Ag chronometric evidence for an early collisional disruption of the IIIAB parent body, implies that main-group pallasites formed by impact–induced mixing of metal and silicates rather than by an internal process on the IIIAB parent body. This mixing led to elevated 182 W compositions in some pallasites, which are best accounted for by partial re-equilibration of IIIAB metal with radiogenic 182 W from the colliding body. Altogether, our results support models that explain main-group pallasite formation by injection of pallasite metal into the mantle of another differentiated body, implying that pallasite silicates did not primarily derive from the IIIAB mantle, but instead from that of the colliding body.

58 GEOSCIENCES↗
DOE OSTI2025

Modified gravity constraints from the full shape modeling of clustering measurements from DESI 2024

We present cosmological constraints on deviations from general relativity (GR) from the first-year of clustering observations from the Dark Energy Spectroscopic Instrument (DESI) in combination with other available datasets including the CMB data from Planck with CMB-lensing from Planck and ACT, BBN constraints on the physical baryon density, the galaxy weak lensing and clustering from DESY3 and supernova data from DESY5. We first consider the μ(a,k)–Σ(a,k) modified gravity (MG) parameterization (as well as η(a,k)) in a ΛCDM and a w 0 w a CDM cosmological backgrounds. Using a functional form for time-only evolution gives μ 0 = 0.11 +0.44 -0.54 from DESI(FS+BAO)+BBN and a wide prior on n s . Using DESI(FS+BAO)+CMB+DESY3+DESY5-SN, we obtain μ 0 = 0.05 ± 0.22 and Σ 0 = 0.008 ± 0.045 and similarly μ 0 = 0.02 +0.19 -0.24 and η 0 = 0.09 +0.36 -0.60 , in an ΛCDM background. In w 0 w a CDM we obtain μ 0 = -0.24 +0.32 -0.28 and Σ 0 = 0.006 ± 0.043, consistent with GR, and we still find a preference of the data for a dynamical dark energy with w 0 > -1 and w a < 0. Using functional dependencies in both time and scale gives μ 0 and Σ 0 with a same level of precision as above but other scale MG parameters remain hard to constrain. We then move to binned parameterizations in a ΛCDM background starting with two bins in redshift and obtain, μ 1 = 1.02 ± 0.13, μ 2 = 1.04 ± 0.11, Σ 1 = 1.021 ± 0.029 and Σ 2 = 1.022 +0.027 -0.023 , all consistent with the unity value of GR in the binning formalism. We then extend the analysis to combine two bins in redshift and two in scale giving 8 MG parameters that we find all consistent with GR. We note that we find here that the tension reported in previous studies about Σ 0 being inconsistent with GR when using Planck PR3 data goes away when we use the recent LoLLiPoP+HiLLiPoP likelihoods. As noted in previous studies, this seems to indicate that the tension is indeed related to the CMB lensing anomaly in PR3 which is also resolved when using the recent likelihoods. We then constrain the class of Horndeski theory in the effective field theory of dark energy approach. We consider both EFT-basis and α-basis in the analysis. Assuming a power law parameterization for the EFT function Ω, which controls non-minimal coupling, we obtain Ω 0 = 0.012 +0.001 -0.012 and s 0 = 0.996 +0.54 -0.20 from the combination of DESI(FS+BAO)+DESY5SN+CMB in a ΛCDM background, which are consistent with GR. Similar results are obtained when using the α-basis and assuming no-braiding (α B = 0) giving c M < 1.14 at 95% CL in a ΛCDM background, also in agreement with GR. However, we see a mild yet consistent indication for c B > 0 when α B is allowed to vary which will require further study to determine whether this is due to systematics or new physics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Predicting tungsten erosion and leakage properties for the new V-shaped small angle slot divertor in DIII-D

Impurity transport modeling of the new tungsten (W)-coated, V-shaped small angle slot (SAS) divertor in the DIII-D tokamak was conducted using the SOLPS-ITER plasma edge code package and the DIVIMP impurity tracking code. The inboard baffle of the current SAS divertor will be shifted closer to the outboard baffle, creating a V-corner at the slot vertex. In addition, the outboard baffle will be coated with 10–15 μm of W for experiments studying high-Z sourcing and leakage in a closed divertor. Modeling of the 'SAS-VW' divertor predicts that these changes to the inner baffle will reduce W gross erosion by 40× relative to the existing SAS divertor when the outer strike point (OSP) is at the V-corner and the ion B × ∇B drift is towards the divertor, driven primarily by significant cooling near the slot vertex. Most W erosion in SAS-VW is expected to occur near the slot entrance, which may pose a higher risk to core contamination than W eroded deeper in the slot. Furthermore, adding a new sheath-based prompt redeposition model increases the sensitivity of redeposition estimates to near-target plasma conditions and may provide more accurate predictions of net erosion. Moving the OSP outboard from the slot vertex ~4 cm onto the W-coated region yields a 40× increase in the gross erosion rate and a 50% decrease in the core leakage fraction. Thus slight variations in strike point location may counteract the potential benefits of the tightly-baffled V slot on minimizing erosion. This impurity transport modeling provides useful guidance for future experiments on the SAS-VW divertor focused on high-Z erosion/redeposition, scrape-off layer transport, and core leakage.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Recent DIII-D progress toward validating models of tungsten erosion, re-deposition, and migration for application to next-step fusion devices

Abstract Fundamental mechanisms governing the erosion and prompt re-deposition of tungsten impurities in tokamak divertors are identified and analyzed to inform the lifetime of tungsten plasma-facing components in ITER and other future devices. Various experiments conducted at DIII-D to benchmark predictive models are presented, leveraging the DiMES removable sample exposure probe capability and the Metal Rings Campaign, in which toroidally symmetric rows of tungsten-coated tiles were installed in the DIII-D divertor. In tokamak divertors, the width of the electric sheath is of the order of the main ion Larmor radius, and a vast majority of sputtered tungsten impurities are typically ionized within the sheath. Therefore, W prompt redeposition is mainly governed by the ratio of the characteristic ionization mean-free path of neutral tungsten to the width of the sheath. In-situ monitoring of the prompt redeposition of tungsten impurities in divertors is demonstrated via the use of WII/WI line ratios and the ionizations/photon (S/XB) method in L-mode discharges. Even with this relatively limited set of emission measurements, net erosion measurements were found to be a consistent upper bound to an analytic scaling based on the ratio of the W ionization length, λ iz , and the width of the magnetic sheath rather than the ratio of λ iz and the W + gyro-radius. In the far-scrape-off layer (SOL) of the ITER divertor, however, it is calculated that the measurement of photon emissions associated with the ionization of tungsten impurities up to W 5 + may be required. Finally, W deposition patterns on DiMES collector probes, interpreted via DIVIMP-WallDYN modelling, reveal the key roles of progressive W erosion/re-deposition staps and E × B drifts in regulating long-range high-Z material migration.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

The first Hubble diagram and cosmological constraints using superluminous supernovae

In this work, we present the first Hubble diagram of superluminous supernovae (SLSNe) out to a redshift of two, together with constraints on the matter density, Ω M , and the dark energy equation-of-state parameter, w(≡p/ρ). We build a sample of 20 cosmologically useful SLSNe I based on light curve and spectroscopy quality cuts. We confirm the robustness of the peak–decline SLSN I standardization relation with a larger data set and improved fitting techniques than previous works. We then solve the SLSN model based on the above standardization via minimization of the χ2 computed from a covariance matrix that includes statistical and systematic uncertainties. For a spatially flat Λ cold dark matter (ΛCDM) cosmological model, we find $\Omega _{\rm M}=0.38^{+0.24}_{-0.19}$, with an rms of 0.27 mag for the residuals of the distance moduli. For a w 0 w a CDM cosmological model, the addition of SLSNe I to a ‘baseline’ measurement consisting of Planck temperature together with Type Ia supernovae, results in a small improvement in the constraints of w 0 and wa of 4 per cent. We present simulations of future surveys with 868 and 492 SLSNe I (depending on the configuration used) and show that such a sample can deliver cosmological constraints in a flat ΛCDM model with the same precision (considering only statistical uncertainties) as current surveys that use Type Ia supernovae, while providing a factor of 2–3 improvement in the precision of the constraints on the time variation of dark energy, w 0 and w a . This paper represents the proof of concept for superluminous supernova cosmology, and demonstrates they can provide an independent test of cosmology in the high-redshift (z > 1) universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Materials Data on HfW2 by Materials Project

HfW2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to twelve equivalent W atoms. All Hf–W bond lengths are 3.16 Å. W is bonded to six equivalent Hf and six equivalent W atoms to form a mixture of face, edge, and corner-sharing WHf6W6 cuboctahedra. All W–W bond lengths are 2.70 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3W3C by Materials Project

Mn3W3C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. W is bonded in a 8-coordinate geometry to six Mn and two equivalent C atoms. There are two shorter (2.72 Å) and four longer (2.78 Å) W–Mn bond lengths. Both W–C bond lengths are 2.13 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent W and six equivalent Mn atoms to form MnMn6W6 cuboctahedra that share edges with six equivalent CW6 octahedra and faces with six equivalent MnMn6W6 cuboctahedra. All Mn–Mn bond lengths are 2.38 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six equivalent W and six Mn atoms. All Mn–Mn bond lengths are 2.46 Å. C is bonded to six equivalent W atoms to form CW6 octahedra that share corners with six equivalent CW6 octahedra and edges with six equivalent MnMn6W6 cuboctahedra. The corner-sharing octahedral tilt angles are 45°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe3W3C by Materials Project

Fe3W3C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. W is bonded in a 8-coordinate geometry to six Fe and two equivalent C atoms. There are two shorter (2.71 Å) and four longer (2.73 Å) W–Fe bond lengths. Both W–C bond lengths are 2.14 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted q6 geometry to six equivalent W and six Fe atoms. There are three shorter (2.36 Å) and three longer (2.42 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded to six equivalent W and six equivalent Fe atoms to form FeFe6W6 cuboctahedra that share edges with six equivalent CW6 octahedra and faces with six equivalent FeFe6W6 cuboctahedra. C is bonded to six equivalent W atoms to form CW6 octahedra that share corners with six equivalent CW6 octahedra and edges with six equivalent FeFe6W6 cuboctahedra. The corner-sharing octahedral tilt angles are 48°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe3W3N by Materials Project

Fe3W3N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. W is bonded in a 2-coordinate geometry to six Fe and two equivalent N atoms. There are four shorter (2.70 Å) and two longer (2.72 Å) W–Fe bond lengths. Both W–N bond lengths are 2.13 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent W and six equivalent Fe atoms to form FeFe6W6 cuboctahedra that share edges with six equivalent NW6 octahedra and faces with six equivalent FeFe6W6 cuboctahedra. All Fe–Fe bond lengths are 2.36 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to six equivalent W and six Fe atoms. All Fe–Fe bond lengths are 2.44 Å. N is bonded to six equivalent W atoms to form NW6 octahedra that share corners with six equivalent NW6 octahedra and edges with six equivalent FeFe6W6 cuboctahedra. The corner-sharing octahedral tilt angles are 48°.

36 MATERIALS SCIENCE↗