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A Deformed Geometry Synthesis Technique for Determining Stacking and Cryogenically Induced Preloads for the Space Launch System

The Space Launch System (SLS) stacking and Core Stage (CS) fueling induce significant preloads that contribute to the liftoff pad separation “twang”. To accurately capture this, an approach is required that can replicate the physics of all SLS physical stacking steps, CS cryogenic shrinkage, associated geometric nonlinearities, and the transient behavior and decay of the preloads with changing boundary conditions as the vehicle separates from the pad. The Deformed Geometry Synthesis (DGS) approach presented here satisfies the above requirements. DGS determines induced preloads by modeling components in their deformed geometry states and then enforcing compatibility by closing the resulting “deadbands”. DGS seamlessly integrates into the multibody modal synthesis framework and does not require the use of artificial external loads to enforce preloads or post-processing steps to remove their influence. Since DGS iterates to solve for the deformed state inclusive of geometric nonlinearities, running linearized parametrics to exercise different potential orientations of ball jointed struts that connect the CS to Boosters for cryo-shrinkage analyses is entirely avoided. Relative to the transient behavior and decay of stacking and cryo-induced preloads with SLS liftoff pad separation, this is an area of considerable interest to the SLS program. To capture this in the most accurate way possible, DGS algorithms are designed to work with Henkel-Mar nonlinear pad separation algorithms which operate on the separating longitudinal and lateral degrees of freedom (DoFs) between the vehicle and the pad. As the separating DoFs release, in whatever manner as dictated by the interface geometries, interface loads and interface flexibilities as well as the external loading on the vehicle, the subject preloads generate a complex twang/decay time-trace as dictated by the physics of the problem. This paper presents DGS numerical verification against the closed-form solution for Timoshenko’s 3 ball-jointed strut preload problem. This problem is then extended by the authors to the geometric nonlinear case where DGS is compared to the Newton-Raphson solution of the nonlinear equations. Next, DGS is utilized to solve the SLS stacking and cryogenic shrinkage coupled loads analyses. Finally, Henkel-Mar pad separation simulations are executed that isolate the impact of the induced preloads’ twang and decay characteristics.

Space Launch System↗

Investigation of several proxies to estimate sulfuric acid concentration in volcanic plume conditions

Sulfuric acid (H2SO4) is commonly accepted as a key precursor for atmospheric new particle formation (NPF). However, direct measurements of [H2SO4] remain challenging, thus preventing the determination of this important quantity, and, consequently, a complete understanding of its contribution to the NPF process. Several proxies have been developed to bridge the gaps, but their ability to predict [H2SO4] in very specific conditions such as those encountered in volcanic plumes (including in particular high sulphur dioxide mixing ratios) has not been evaluated so far. In this context, the main objective of the present study was to develop new proxies for daytime [H2SO4] in volcanic plume conditions and compare their performance to that of the proxies available in the literature. In specific, the data collected at Maïdo during the OCTAVE 2018 campaign, in the volcanic eruption plume of the Piton de la Fournaise, were first used to derive seven proxies based on the knowledge of sulphur dioxide (SO2) mixing ratio, global radiation, condensation sink (CS) and relative humidity (RH). In three of the seven proxies (F1–F3), all variables were given equal weight in the prediction of [H2SO4], while adjusted powers were allowed for the different variables in the other four proxies (A1–A4). Proxies A1–A4 were overall found to perform better compared to F1–F3, with, in specific, improved predictive ability for [H2SO4] > 2 × 108 per cu.cm. The CS was observed to play an important role in regulating [H2SO4], while, in contrast, the inclusion of RH did not improve the predictions. A last expression accounting for an additional sink term related to cluster formation, S1, was also tested and showed a very good predictive ability over the whole range of measured [H2SO4]. The newly developed proxies were in a second step further evaluated using airborne measurements performed in the passive degassing plume of Etna during the STRAP 2016 campaign. Increased correlations between observed and predicted [H2SO4] were obtained when the dependence of predicted [H2SO4] over CS was the lowest, and when the dependence over [SO2] was concurrently the highest. The best predictions were finally retrieved by the simple formulation of F2 (in which [SO2] and radiation alone were assumed to explain the variations of [H2SO4] with equal contributions), with a pre factor adapted to the STRAP data. All in all, our results illustrate the fairly good capacity of the proxy available in the literature to describe [H2SO4] in volcanic plume conditions, but highlight at the same time the benefit of the newly developed proxies for the prediction of the highest concentrations ([H2SO4] > 2–3 × 108 per cu.cm). Also, the contrasting behaviours of the new proxies in the two investigated datasets indicate that in volcanic plumes like in other environments, the relevance of a proxy can be affected by changes in environmental conditions, and that location specific coefficients do logically improve the predictions.

new particle formation↗

Leveraging the ALMA Atacama Compact Array for Cometary Science: An Interferometric Survey of Comet C/2015 ER61 (PanSTARRS) and Evidence for a Distributed Source of Carbon Monosulfide

We report the first survey of molecular emission from cometary volatiles using standalone Atacama Compact Array (ACA) observations from the Atacama Large Millimeter/Submillimeter Array (ALMA) toward comet C/2015 ER61 (PanSTARRS) carried out on UT 2017 April 11 and 15, shortly after its April 4 outburst. These measurements of HCN, CS, CH3OH, H2CO, and HNC (along with continuum emission from dust) probed the inner coma of C/2015 ER61, revealing asymmetric outgassing and discerning parent from daughter/distributed source species. This work presents spectrally integrated flux maps, autocorrelation spectra, production rates, and parent scale lengths for each molecule and a stringent upper limit for CO. HCN is consistent with direct nucleus release in C/2015 ER61, whereas CS, H2CO, HNC, and potentially CH3OH are associated with distributed sources in the coma. Adopt- ing a Haser model, parent scale lengths determined for H2CO (Lp ∼ 2200 km) and HNC (Lp ∼ 3300 km) are consistent with previous work in comets, whereas significant extended source production (Lp ∼ 2000 km) is indicated for CS, suggesting production from an unknown parent in the coma. The con- tinuum presents a point-source distribution with a flux density implying an excessively large nucleus, inconsistent with other estimates of the nucleus size. It is best explained by the thermal emission of slowly moving outburst ejectas, with total mass 5–8 × 1010 kg. These results demonstrate the power of the ACA for revealing the abundances, spatial distributions, and locations of molecular production for volatiles in moderately bright comets such as C/2015 ER61.

Molecular spectroscopy (2095) — High resolution sp↗

Leveraging the Atacama Compact Array for Cometary Science: An Interferometric Survey of Comet C/2015 ER61 (PanSTARRS) and Evidence for a Distributed Source of Carbon Monosulfide

We report the first survey of molecular emission from cometary volatiles using standalone Atacama Compact Array (ACA) observations from the Atacama Large Millimeter/Submillimeter Array (ALMA) toward comet C/2015 ER61 (PanSTARRS) carried out on UT 2017 April 11 and 15, shortly after its April 4 outburst. These measurements of HCN, CS, CH3OH, H2CO, and HNC (along with continuum emission from dust) probed the inner coma of C/2015 ER61, revealing asymmetric outgassing and discerning parent from daughter/distributed source species. This work presents spectrally integrated flux maps, autocorrelation spectra, production rates, and parent scale lengths for each molecule and a stringent upper limit for CO. HCN is consistent with direct nucleus release in C/2015 ER61, whereas CS, H2CO, HNC, and potentially CH3OH are associated with distributed sources in the coma. Adopt- ing a Haser model, parent scale lengths determined for H2CO (Lp ∼ 2200 km) and HNC (Lp ∼ 3300 km) are consistent with previous work in comets, whereas significant extended source production (Lp ∼ 2000 km) is indicated for CS, suggesting production from an unknown parent in the coma. The continuum presents a point-source distribution with a flux density implying an excessively large nucleus, inconsistent with other estimates of the nucleus size. It is best explained by the thermal emission of slowly moving outburst ejectas, with total mass 5–8 × 1010 kg. These results demonstrate the power of the ACA for revealing the abundances, spatial distributions, and locations of molecular production for volatiles in moderately bright comets such as C/2015 ER61.

Molecular spectroscopy↗

Metallic Environmentally Resistant Coating Rapid Innovation Initiative

Lightweight alloys such as aluminum (Al) and titanium (Ti) are often specified for space systems to minimize mass while maintaining structural integrity [1,2]. Such alloys however, have poor tribological response (high friction and wear), especially in extreme space environments, which becomes worse with the additional presence of lunar regolith. This leads to short lifetimes and premature failures that will ultimately limit long term operations on the lunar surface [2]. This project is addressing this technology gap by developing advanced wear- and radiation-resistant coatings for lightweight parts to extend the life-time and sustainability of both lunar and Martian assets. Ceramics were considered for their high wear resistance, but were rejected because of their low fracture toughness, which would be especially problematic for structural components. The novel and existing coating technologies and deposition methods are being tested in this project. The coating materials are Boron Nitride-Aluminum (BN-Al), Nickle Titanium (NiTi), Aluminum Oxide (AlO3), Ti64 with hBN at 2 and 10 vol percent (Ti-2vol%hBN and Ti-10vol%hBN), and the deposition techniques are high pressure cold-spray (CS) and ambient and vacuum plasma-spray (APS and VPS) [3,4,5]. BN-Al, NiTi, Ti-2vol%hBN, and Ti-10vol%hBN were applied with all three deposition techniques, and AlO3 was applied only using the APS deposition technique. A tungstenite (WS2) film was applied to the NiTi VPS coating. The coating and deposition technique configurations are being tested against several key end-use performance parameters. The parameters include the capabilities of the coatings under wear environments such as regolith simulant, thermal cycling from high (120°C) to cryogenic (-173°C), high vacuum (~10-7 torr), and pre- and post-exposure to ionizing particle radiation. Wear tests include pin on disk, three-body abrasion, and surface erosion by high velocity regolith impacts. The initial down selection is being performed using on virgin and environmental exposure samples using pin on disk and three body abrasion wear tests. From preliminary assessment of this testing, a few configurations were eliminated. Ti-10vol%hBN could not be applied using CS application and NiTi could not be applied using APS or CS application so these configurations did not get tested. Early pin on disk wear tests showed poor wear performance of BN-Al so this coating was eliminated early in the testing process. AlO3 on Al substrate did not survive thermal cycling, but wear testing is continuing for AlO3 on Ti substrate. A more detailed analysis is being con-ducted to further reduce the number of configuration for phase II and III. Phase II testing will include conventionally and additively manufactured substrates with surface erosion testing. In phase III, the coatings will be applied to three mechanism types: channel and slot, ball and socket, and a hinge joint. Each will demonstrate a different type of wear incidence. The mechanisms and their base materials are of direct interest to the end users and infusion points: the Human Landing System (HLS) and the Lunar Surface Innovation Initiative (sustained lunar surface operations). The technology development project is based out of Marshall Space Flight Center, has partnered with Florida International University (Miami, FL) and Plasma Processes (Huntsville, Al), and is supported by a group of NASA mentors from different centers.

dust mitigation↗

Gas Sources from the Coma and Nucleus of Comet 46P/Wirtanen Observed Using ALMA

Gas-phase molecules in cometary atmospheres (comae) originate primarily from (1) outgassing by the nucleus, (2) sublimation of icy grains in the near-nucleus coma, and (3) coma (photo)chemical processes. However, the majority of cometary gases observed at radio wavelengths have yet to be mapped, so their production/release mechanisms remain uncertain. Here we present observations of six molecular species toward comet 46P/Wirtanen, obtained using the Atacama Large Millimeter/submillimeter Array during the comet's unusually close (∼0.1 au) approach to Earth in 2018 December. Interferometric maps of HCN, CH 3 OH, CH 3 CN, H 2 CO, CS, and HNC were obtained at an unprecedented sky-projected spatial resolution of up to 25 km, enabling the nucleus and coma sources of these molecules to be accurately quantified. The HCN, CH 3 OH, and CH 3 CN spatial distributions are consistent with production by direct outgassing from (or very close to) the nucleus, with a significant proportion of the observed CH 3 OH originating from sublimation of icy grains in the near-nucleus coma (at a scale length L p = 36 ± 7 km). On the other hand, H 2 CO, CS, and HNC originate primarily from distributed coma sources (with L p values in the range 550–16,000 km), the identities of which remain to be established. The HCN, CH 3 OH, and HNC abundances in 46P are consistent with the average values previously observed in comets, whereas the H 2 CO, CH 3 CN, and CS abundances are relatively low.

Short period comets↗

Effects of Mild Hypobaric Hypoxia on Visual Field Impairment

INTRODUCTION: The primary objective of the Exploration Atmosphere (EA) study is to validate a new prebreathe protocol necessary before exposure to a suited hypobaric environment during extravehicular activity (EVA) from a habitat ‘exploration atmosphere’ of 56.5kPa (8.2 psia), 34% O2, 66% N2. Prebreathe protocols must be time and resource efficient while also controlling Decompression Sickness (DCS) risk to within acceptable limits. The habitat hypobaric exploration atmosphere also results in a mildly hypoxic environment (piO2 = 128mmHg). As a secondary objective of the EA study, we characterized the effects of 11-day exposure to a mild hypobaric hypoxic environment on visual performance. METHODS: Two, 11-day hypobaric chamber tests were performed (EA-1and EA-2, n=8 each) in NASA’s 20-foot chamber at Johnson Space Center where subjects lived in the exploration atmosphere. Subjects also underwent simulated 6-hour EVAs at 85% O2 and 29.6 kPa during EVA on days 3, 5, 7, 9, and 11. Visual acuity (VA), a measure of spatial resolution, and contrast sensitivity (CS), a measure of ability to distinguish ever finer increments of brightness, were assessed on non-EVA days by using gapped Landolt C testing. The luminance was controlled by using a booth, a light monitor, and a lighting rheostat. EA-1 data had revealed problems in lighting control impacting consistency of the data. Procedures were subsequently updated for the EA-2 test. RESULTS: EA-1 data revealed large variance and data recording errors and was removed from the analysis. One participant left the study at Test Day 3 during EA-2. EA-2 ANOVA results showed CS (mean change=0.010 logCSWeber) and VA (mean change, -0.016 logMAR) between pre-test and 11-day test phases; however, neither VA nor CS changes were statistically significant. There were non-statistically significant declines in VA across test phases. DISCUSSION: Overall, visual field performance did not exhibit clinically significant changes (3 lines or greater change in LogMar chart) during exposure to the mild hypoxic exploration atmosphere environment compared to pre-test baseline. The consistency and stability of VA data during EA-2 suggests that the mild hypobaric hypoxic environment did not cause clinically significant negative impacts to participants’ visual field performance.

Visual Acuity↗

Effects of Mild Hypobaric Hypoxia on Visual Field Impairment

INTRODUCTION: The primary objective of the Exploration Atmosphere (EA) study is to validate a new prebreathe protocol necessary before exposure to a suited hypobaric environment during extravehicular activity (EVA) from a habitat ‘exploration atmosphere’ of 56.5kPa (8.2 psia), 34% O2, 66% N2. Prebreathe protocols must be time and resource efficient while also controlling Decompression Sickness (DCS) risk to within acceptable limits. The habitat hypobaric exploration atmosphere also results in a mildly hypoxic environment (piO2 = 128mmHg). As a secondary objective of the EA study, we characterized the effects of 11-day exposure to a mild hypobaric hypoxic environment on visual performance. METHODS: Two, 11-day hypobaric chamber tests were performed (EA-1and EA-2, n=8 each) in NASA’s 20-foot chamber at Johnson Space Center where subjects lived in the exploration atmosphere. Subjects also underwent simulated 6-hour EVAs at 85% O2 and 29.6 kPa during EVA on days 3, 5, 7, 9, and 11. Visual acuity (VA), a measure of spatial resolution, and contrast sensitivity (CS), a measure of ability to distinguish ever finer increments of brightness, were assessed on non-EVA days by using gapped Landolt C testing. The luminance was controlled by using a booth, a light monitor, and a lighting rheostat. EA-1 data had revealed problems in lighting control impacting consistency of the data. Procedures were subsequently updated for the EA-2 test. RESULTS: EA-1 data revealed large variance and data recording errors and was removed from the analysis. One participant left the study at Test Day 3 during EA-2. EA-2 ANOVA results showed CS (mean change=0.010 logCSWeber) and VA (mean change, -0.016 logMAR) between pre-test and 11-day test phases; however, neither VA nor CS changes were statistically significant. There were non-statistically significant declines in VA across test phases. DISCUSSION: Overall, visual field performance did not exhibit clinically significant changes (3 lines or greater change in LogMar chart) during exposure to the mild hypoxic exploration atmosphere environment compared to pre-test baseline. The consistency and stability of VA data during EA-2 suggests that the mild hypobaric hypoxic environment did not cause clinically significant negative impacts to participants’ visual field performance.

Visual Acuity↗

Total variation vs L1 regularization: a comparison of compressive sensing optimization methods for chemical detection

One of the fundamental assumptions of compressive sensing (CS) is that a signal can be reconstructed from a small number of samples by solving an optimization problem with the appropriate regularization term. Two standard regularization terms are the L1 norm and the total variation (TV) norm. We present a comparison of CS reconstruction results based on these two approaches in the context of chemical detection, and we demonstrate that optimization based on the L1 norm outperforms optimization based on the TV norm. Our comparison is driven by CS sampling, reconstruction, and chemical detection in two real-world datasets: the Physical Sciences Inc. Fabry-Perot interferometer sensor multispectral dataset and the Johns Hopkins Applied Physics Lab FTIR-based longwave infrared sensor hyperspectral dataset. Both datasets contain the release of a chemical simulant such as glacial acetic acid, triethyl phosphate, and sulfur hexafluoride. For chemical detection we use the adaptive coherence estimator (ACE) and bulk coherence, and we propose algorithmic ACE thresholds to define the presence or absence of a chemical of interest in both un-compressed data cubes and reconstructed data cubes. The un-compressed data cubes provide an approximate ground truth. We demonstrate that optimization based on either the L1 norm or TV norm results in successful chemical detection at a compression rate of 90%, but we show that L1 optimization is preferable. We present quantitative comparisons of chemical detection on reconstructions from the two methods, with an emphasis on the number of pixels with an ACE value above the threshold.

Hyperspectral imagery, L1-norm, total variation, A↗

AGR-5/6/7 Irradiation As Run Predictions Using PARFUME

The PARticle FUel ModEl (PARFUME), a fuel performance modeling code used for high-temperature gas-cooled reactors, was used to model the Advanced Gas Reactor (AGR)-5/6/7 irradiation test using as-run physics and thermal data. The AGR-5/6/7 irradiation test consists of the combined fifth, sixth, and seventh planned irradiations of the AGR Fuel Development and Qualification Program. The AGR-5/6/7 test train is a multi-capsule, instrumented experiment that is designed for irradiation in the 133.4-mm diameter northeast flux trap position of the Advanced Test Reactor (ATR) at Idaho National Laboratory. Each capsule contains compacts filled with uranium oxycarbide unaltered fuel particles. This report documents the calculations performed to predict the failure probability of tristructural isotropic (TRISO)-coated fuel particles during the AGR-5/6/7 experiment. In addition, this report documents the calculated fission product release fraction from the fuel. The calculations include modeling of the AGR 5/6/7 irradiation that occurred from February 2018 to July 2020 over nine ATR cycles, including six normal cycles and three power axial locator mechanism cycles, for a total of approximately 376 effective full power days (EFPD). The irradiation conditions and material properties of the AGR-5/6/7 test predicted zero fuel particle failures in Capsules 1, 3, and 4. Fuel particle failures were predicted in two of the compacts in Capsule 2 and one particle failure is predicted in each one of the compacts in Capsule 5. All compacts that exhibited fuel particle failures predicted by PARFUME were caused by localized stress concentrations in the silicon carbide (SiC) layer caused by cracking in the inner pyrolytic (IPyC) layer. In addition, shrinkage of the buffer and IPyC layer during irradiation resulted in formation of a buffer-IPyC gap. Compacts with a lower irradiation temperature and fluence experienced the smallest buffer-IPyC gap formation. Conversely, higher irradiated temperature compacts with a high fluence experienced the largest buffer-IPyC gap formation. Compact 3-6-3 experienced the largest buffer IPyC gap formation of just under 21.7 µm. The release fraction of fission products silver (Ag), cesium (Cs), and strontium (Sr) vary depending on capsule location and irradiation temperature. The maximum release fraction of Ag occurs in Capsule 3, reaching up to 59.5% for the TRISO fuel particles (compact 3-6-3). The release fraction of the other two fission products, Cs and Sr, are much smaller. A maximum Cs release fraction of 1.1% occurred in compact 3-4-3 and 4.4% for Sr in compact 3-6-3.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The Effects of Contaminant-Aging on Decontamination Efficacy for Rapid Remediation of Concrete Surfaces - 20412

Understanding the relationship between decontamination efficacy and contaminant aging is imperative for developing effective remediation strategies following a large-scale contamination event. Non-destructive decontamination of concrete following a contamination incident becomes more difficult with increased time between contamination and decontamination because contaminants may chemically bind to concrete and/or penetrate into the concrete subsurface. In this work, we evaluated the decontamination efficacy of two decontamination methods on concrete samples contaminated with soluble Cesium-137 (Cs-137) and silica particles with 0.5 μm and 2 μm diameters. Concrete samples were aged between 1 and 59 days, with half of the coupons receiving 1 mL of artificial rainwater about once every three days. After aging, coupons were either decontaminated or analyzed to determine contaminant penetration depths. Coupons were decontaminated with 0.1 M Potassium Chloride (KCI) solution applied either by flowing solution across the contaminated coupon face or non-destructive power washing. Contaminant depth profiles were created by removing the top surface of the coupon at least 15 times, measuring the activity in each removed layer, normalizing the total activity removed to the measured decontamination efficacy following the last layer removal, and determining the penetration thickness using the coupon dimensions, bulk density, and mass of material removed for each layer. Pressurized washing effectively removed particles, but not soluble cesium, despite the majority of Cs-137 being located within the first millimeter of the subsurface. Soluble cesium removal by flowing 0.1 M KCI solution across the contaminated surface dropped to less than 12% within the first ten days. This drop in Cs-137 removal efficacy occurred within the first five days for coupons experiencing artificial rainfall events. Flowing 0.1 M KCI solution across the contaminated face was ineffective at removing particles, likely because particles had localized in surface depressions. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Large Neutrino "Collider"

We propose using current and future large-volume neutrino telescopes as ``Large Neutrino Colliders" (L$ν$Cs) to explore TeV-scale physics beyond the Standard Model. Cosmic neutrinos with energies above 100 PeV colliding with nucleons in the detector reach center-of-mass energies beyond the 14 TeV limit of the Large Hadron Collider (LHC). Using recently predicted and measured high-energy and ultra-high-energy neutrino fluxes from IceCube and KM3NeT, we estimate mass-scale sensitivities for representative new physics scenarios at 1--30 km$^3$ L$ν$Cs. Our results demonstrate that L$ν$Cs provide a novel avenue to probe multi-TeV particles with sensitivities comparable to, or even surpassing, those of the LHC.

Bai, Yang [Wisconsin U., Madison; Argonne]↗

Nuclear data for reactor production of 131 Ba and 133 Ba

The newest radioisotope for brachytherapy treatment of prostate cancer is 131 Cs (t 1/2 = 9.69 d, 100% EC). Generated via electron capture decay of 131 Ba (t 1/2 = 11.6 d, 100% EC), 131 Cs has been used in brachytherapy for prostate cancer since 2004. The 131 Ba parent is produced through neutron capture of enriched 130 Ba in a nuclear reactor. For large-scale production of 131 Ba, an accurate knowledge of production and burnup cross sections of 131 Ba are essential. Here, we report two group cross sections (thermal and resonance integrals) for 130 Ba and 131 Ba and a new measure of the half-life of 131 Ba. Targets consisting of milligram quantities of enriched 130Ba (~35%) were irradiated in Oak Ridge National Laboratory's High Flux Isotope Reactor at thermal and resonance neutron fluxes of (1.9–2.1) × 10 15 and (5.8–7.0) × 10 13 neutrons·cm -2 s -1 , respectively, for durations ranging from 3 to 26 days. In addition, cadmium covered samples of 130 Ba were irradiated for 1 hour at 12.6% full reactor power (10.7 MW). The yield of 131 Ba approaches a saturation value of ~60 GBq (~1.6 Ci) per mg of 130 Ba for 20 days irradiation at a thermal neutron flux of 1.8 × 10 15 n·s -1 ·cm -2 , with a thermal/epithermal ratio of ~30. Under the above experimental conditions, the two group cross sections of 130 Ba are 6.9 ± 0.5 b (thermal, σ 0 ) and 173 ± 7 b (resonance, I 0 ). These values represent the sum of cross sections to metastable and ground states of 131 Ba. For 131 Ba, the empirically measured thermal cross section is 200 ± 50 b assuming an I 0 /σ 0 of 10. This cross section is reported for the first time. Further, the half-life of 131 Ba was remeasured to be 11.657 ± 0.008 d. Lastly, this study also resulted in the co-production of 133 Ba (t 1/2 = 10.52 y, 100% EC). The experimental yield of 133 Ba is ~370 MBq (~10 mCi) per mg of 132 Ba (thin target) for one cycle irradiation in the High Flux Isotope Reactor, and measured two-group 132 Ba cross sections are 7.2 ± 0.2 b and 39.9 ± 1.3 b. These values also represent the sum of cross sections to metastable and ground states of 133 Ba.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Materials Data on CsTiF4 by Materials Project

CsTiF4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight equivalent F1- atoms. All Cs–F bond lengths are 3.20 Å. In the second Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Cs–F bond distances ranging from 3.06–3.36 Å. Ti3+ is bonded to six F1- atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles are 17°. There is two shorter (1.93 Å) and four longer (2.03 Å) Ti–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to one Cs1+ and two equivalent Ti3+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four Cs1+ and one Ti3+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Cs2MnBr4 by Materials Project

Cs2MnBr4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.76–4.20 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.68–4.16 Å. Mn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Mn–Br bond distances ranging from 2.48–2.50 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to four Cs1+ and one Mn2+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to five Cs1+ and one Mn2+ atom. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to four Cs1+ and one Mn2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on CsAgC2 by Materials Project

CsAgC2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a distorted body-centered cubic geometry to eight C1- atoms. All Cs–C bond lengths are 3.54 Å. In the second Cs1+ site, Cs1+ is bonded in a distorted body-centered cubic geometry to eight C1- atoms. All Cs–C bond lengths are 3.54 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two C1- atoms. Both Ag–C bond lengths are 2.04 Å. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two C1- atoms. Both Ag–C bond lengths are 2.04 Å. There are four inequivalent C1- sites. In the first C1- site, C1- is bonded in a distorted linear geometry to four Cs1+, one Ag1+, and one C1- atom. The C–C bond length is 1.25 Å. In the second C1- site, C1- is bonded in a distorted linear geometry to four Cs1+, one Ag1+, and one C1- atom. The C–C bond length is 1.25 Å. In the third C1- site, C1- is bonded in a distorted linear geometry to four Cs1+, one Ag1+, and one C1- atom. In the fourth C1- site, C1- is bonded in a distorted linear geometry to four Cs1+, one Ag1+, and one C1- atom.

36 MATERIALS SCIENCE↗

Materials Data on Cs3TiF7 by Materials Project

Cs3TiF7 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Cs–F bond distances ranging from 3.03–3.27 Å. In the second Cs1+ site, Cs1+ is bonded to six F1- atoms to form CsF6 octahedra that share corners with four equivalent TiF6 octahedra and corners with six equivalent CsF6 octahedra. The corner-sharing octahedra tilt angles range from 0–69°. There are two shorter (3.19 Å) and four longer (3.27 Å) Cs–F bond lengths. Ti4+ is bonded to six F1- atoms to form TiF6 octahedra that share corners with four equivalent CsF6 octahedra. The corner-sharing octahedral tilt angles are 69°. There is two shorter (1.89 Å) and four longer (1.90 Å) Ti–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Ti4+ atom. In the second F1- site, F1- is bonded to six Cs1+ atoms to form corner-sharing FCs6 octahedra. The corner-sharing octahedra tilt angles range from 0–25°. In the third F1- site, F1- is bonded in a single-bond geometry to four Cs1+ and one Ti4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Cs2Pt by Materials Project

Cs2Pt crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a distorted trigonal planar geometry to five equivalent Pt2- atoms. There are three shorter (3.37 Å) and two longer (4.11 Å) Cs–Pt bond lengths. In the second Cs1+ site, Cs1+ is bonded to six equivalent Pt2- atoms to form a mixture of distorted edge, face, and corner-sharing CsPt6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Cs–Pt bond lengths are 3.95 Å. Pt2- is bonded in a 3-coordinate geometry to eleven Cs1+ atoms.

36 MATERIALS SCIENCE↗