Search NASA⌕ Search

SEARCH · Search NASA

Results for “Conditional Point Sampling”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 613 records · Page 34

Negative-ion formation in the explosives RDX, PETN, and TNT using the Reversal Electron Attachment Detection (READ) technique

In the search for high sensitivity and direct atmospheric sampling of trace species, techniques have been developed such as atmospheric-sampling, glow-discharge ionization (ASGDI), corona discharge, atmospheric pressure ionization (API), electron-capture detection (ECD), and negative-ion chemical ionization (NICI) that are capable of detecting parts-per-billion to parts-per-trillion concentrations of trace species. These techniques are based on positive- or negative-ion formation via charge-transfer to the target, or electron capture under multiple-collision conditions in a Maxwellian distribution of electron energies at the source temperature. One drawback of the high-pressure, corona- or glow-discharge devices is that they are susceptible to interferences either through indistinguishable product masses, or through undesired ion-molecule reactions. The ASGDI technique is relatively immune from such interferences, since at target concentrations of less than 1 ppm the majority of negative ions arises via electron capture rather than through ion-molecule chemistry. A drawback of the conventional ECD, and possibly of the ASGDI, is that they exhibit vanishingly small densities of electrons with energies in the range 0-10 millielectron volts (meV), as can be seen from a typical Maxwellian electron energy distribution function at T = 300 K. Slowing the electrons to these subthermal (less than 10 meV) energies is crucial, since the cross section for attachment of several large classes of molecules is known to increase to values larger than 10(exp -12) sq cm at near-zero electron energies. In the limit of zero energy these cross sections are predicted to diverge as epsilon(exp -1/2), where epsilon is the electron energy. In order to provide a better 'match' between the electron energy distribution function and attachment cross section, a new concept of attachment in an electrostatic mirror was developed. In this scheme, electrons are brought to a momentary halt by reversing their direction with electrostatic fields. At this turning point the electrons have zero or near-zero energy. A beam of target molecules is introduced, and the resultant negative ions extracted. This basic idea has been recently improved to allow for better reversal geometry, higher electron currents, lower backgrounds, and increased negative-ion extraction efficiency. We present herein application of the so-called reversal electron attachment detector (READ) to the study of negative-ion formation in the explosives molecules RDX, PETN, and TNT under single-collision conditions.

Chutijian, Ara↗

NASA Advanced Explorations Systems: Advancements in Life Support Systems

The NASA Advanced Exploration Systems (AES) Life Support Systems (LSS) project strives to develop reliable, energy-efficient, and low-mass spacecraft systems to provide environmental control and life support systems (ECLSS) critical to enabling long duration human missions beyond low Earth orbit (LEO). Highly reliable, closed-loop life support systems are among the capabilities required for the longer duration human space exploration missions assessed by NASA's Habitability Architecture Team (HAT). The LSS project is focused on four areas: architecture and systems engineering for life support systems, environmental monitoring, air revitalization, and wastewater processing and water management. Starting with the international space station (ISS) LSS systems as a point of departure (where applicable), the mission of the LSS project is three-fold: 1. Address discrete LSS technology gaps 2. Improve the reliability of LSS systems 3. Advance LSS systems towards integrated testing on the ISS. This paper summarized the work being done in the four areas listed above to meet these objectives. Details will be given on the following focus areas: Systems Engineering and Architecture- With so many complex systems comprising life support in space, it is important to understand the overall system requirements to define life support system architectures for different space mission classes, ensure that all the components integrate well together and verify that testing is as representative of destination environments as possible. Environmental Monitoring- In an enclosed spacecraft that is constantly operating complex machinery for its own basic functionality as well as science experiments and technology demonstrations, it's possible for the environment to become compromised. While current environmental monitors aboard the ISS will alert crew members and mission control if there is an emergency, long-duration environmental monitoring cannot be done in-orbit as current methodologies rely largely on sending environmental samples back to Earth. The LSS project is developing onboard analysis capabilities that will replace the need to return air and water samples from space for ground analysis. Air Revitalization- The air revitalization task is comprised of work in carbon dioxide removal, oxygen generation and recovery and trace contamination and particulate control. The CO2 Removal and associated air drying development efforts under the LSS project are focused both on improving the current SOA technology on the ISS and assessing and examining the viability of other sorbents and technologies available in academia and industry. The Oxygen Generation and Recovery technology development area encompasses several sub-tasks in an effort to supply O2 to the crew at the required conditions, to recover O2 from metabolic CO2, and to recycle recovered O2 back to the cabin environment. Current state-of-the-art oxygen generation systems aboard space station are capable of generating or recovering approximately 40% of required oxygen; for exploration missions this percentage needs to be greatly increased. A spacecraft cabin trace contaminant and particulate control system serves to keep the environment below the spacecraft maximum allowable concentration (SMAC) for chemicals and particulates. Both passive (filters) and active (scrubbers) methods contribute to the overall TC & PC design. Work in the area of trace contamination and particulate control under the LSS project is focused on making improvements to the SOA TC & PC systems on ISS to improve performance and reduce consumables. Wastewater Processing and Water Management- A major goal of the LSS project is the development of water recovery systems to support long duration human exploration beyond LEO. Current space station wastewater processing and water management systems distill urine and wastewater to recover water from urine and humidity condensate in the spacecraft at a approximately 74% recovery rate. For longer, farther missions into deep space, that recovery rate must be greatly increased so that astronauts can journey for months without resupply cargo ships from Earth.

Shull, Sarah A.↗

Space Systems - Safety and Compatibility of Materials - Method to Determine the Flammability Thresholds of Materials

Spacecraft fire safety emphasizes fire prevention, which is achieved primarily through the use of fire-resistant materials. Materials selection for spacecraft is based on conventional flammability acceptance tests, along with prescribed quantity limitations and configuration control for items that are non-pass or questionable. ISO 14624-1 and -2 are the major methods used to evaluate flammability of polymeric materials intended for use in the habitable environments of spacecraft. The methods are upward flame-propagation tests initiated in static environments and using a well-defined igniter flame at the bottom of the sample. The tests are conducted in the most severe flaming combustion environment expected in the spacecraft. The pass/fail test logic of ISO 14624-1 and -2 does not allow a quantitative comparison with reduced gravity or microgravity test results; therefore their use is limited, and possibilities for in-depth theoretical analyses and realistic estimates of spacecraft fire extinguishment requirements are practically eliminated. To better understand the applicability of laboratory test data to actual spacecraft environments, a modified ISO 14624 protocol has been proposed that, as an alternative to qualifying materials as pass/fail in the worst-expected environments, measures the actual upward flammability limit for the material. A working group established by NASA to provide recommendations for exploration spacecraft internal atmospheres realized the importance of correlating laboratory data with real-life environments and recommended NASA to develop a flammability threshold test method. The working group indicated that for the Constellation Program, the flammability threshold information will allow NASA to identify materials with increased flammability risk from oxygen concentration and total pressure changes, minimize potential impacts, and allow for development of sound requirements for new spacecraft and extravehicular landers and habitats. Furthermore, recent research has shown that current normal gravity materials flammability tests do not correlate with flammability in ventilated, micro- or reduced-gravity conditions. Currently, the materials selection for spacecraft is based on the assumption of commonality between ground flammability test results and spacecraft environments, which does not appear to be valid. Materials flammability threshold data acquired in normal gravity can be correlated with data obtained in microgravity or reduced-gravity experiments, and consequently a more accurate assessment of the margin of safety of the material in the real environment can be made. In addition, the method allows the option of selecting better or best space system materials, as opposed to what would be considered just acceptable from a flammability point of view and realistic assessment of spacecraft fire extinguishment needs, which could result in significant weight savings. The knowledge afforded by this technique allows for limited extrapolations of flammability behavior to conditions not specifically tested and that could potentially result in significant cost and time savings. The intent of this Technical Specification is to bring to the attention of International Aerospace Community the importance of correlating laboratory test data with real-life space systems applications. The method presented is just one of the possibilities that are believed will lead to better understanding the applicability of laboratory aerospace materials flammability test data. International feedback on improving the proposed method, as well as suggestions for correlating other laboratory aerospace test data with real-life applications relevant to space systems are being sought.

Hirsch, David↗

Guidance for Monitoring Passive Groundwater Remedies Over Extended Time Scales

Passive remediation can be appropriate where natural processes and actions such as institutional controls mitigate exposure to contaminated groundwater, achieving remedial action objectives and protectiveness of human health and the environment. Monitored natural attenuation (MNA) is a prevalent passive remediation strategy supported by a regulatory framework and monitoring design guidance. However, long-term passive remedies are usually selected in combination with at least one active remedy, such as source removal, in situ treatment, or pump-and-treat, functioning as a complementary method for achieving remediation objectives and meeting the applicable statutory and regulatory requirements. However, MNA and existing monitoring guidance primarily target situations where the remedial action objectives are met within a few decades. When time scales for passive remediation extend to many decades (50 years or more), a corresponding change in monitoring strategy is needed to adapt to the extended time scale. This document provides guidance for implementing an extended-scale monitoring (ESM) approach appropriate for long-duration passive remediation. Extended-scale is defined in this document with respect to time (i.e., a long duration of remediation) and a large enough physical scale such that downstream receptors will not be impacted within the remediation timeframe. ESM applies to slow-moving groundwater contaminant plumes and emphasizes monitoring primarily for potential exposure pathways. For this approach, the primary monitoring objective is to demonstrate that the plume diminishes before reaching the receptor zone or point of compliance and/or a receptor does not receive concentrations above the compliance limit. While the overall objectives of protecting human health and the environment are the same as for plumes where remediation can occur over a shorter time period, the time scales between decisions are longer and the dynamics of plume evolution are slower. To this end, a scenario-based strategy is described for different plume and source conditions, defining a containment and receptor zones. The containment zone is the area where the risk of exposure to groundwater contamination can be mitigated (e.g., through institutional controls) during the remediation time period. The receptor zone is defined as the area where exposure to groundwater contamination cannot be mitigated and compliance concentration standards must be met. Within the containment zone, slow plume migration may occur, leading to concentrations that exceed compliance standards. However, where distance to the receptor zone is large relative to plume migration and attenuation rate, this approach can be protective of the receptor zone. Selection of a long-duration passive remedy needs to be based on sufficient understanding of contaminant sources, hydrogeology, and contaminant plumes. A strong technical basis, supported by predictive analysis, is recommended to substantiate that contamination is expected to stay within the containment zone during the active remediation and attainment phase of the remedy, and diminish to meet compliance standards within the extended timeframe prior to reaching the receptor zone (e.g., many decades or even centuries). The ESM approach is based on verification of plume behavior and not on detailed plume dynamics. Monitoring is conducted to confirm expected behavior with an emphasis on exposure pathways to verify that plumes remain contained in areas where the protectiveness objectives can be met. ESM should not be adopted if there is significant risk of the plume extending beyond the containment zone. Given the slow movement within the containment zone, less frequent sampling is required relative to approaches used for conventional-scale remediation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Electron Beam Welding of Pure Tungsten Hex Cans for Nuclear Thermal Propulsion Engines

Nuclear thermal propulsion (NTP) is an in-space propulsion method currently being developed at the NASA Marshall Space Flight Center (MSFC). NTP systems are a high specific impulse (750–1,100 s), high thrust (15,000–250,000 lbf ) method of propulsion which have the potential to allow for faster transit times when optimizing for high ΔV. In the nuclear rocket engine, the heat from the nuclear fission reaction is transferred to a low molecular mass propellant (such as hydrogen). Hot propellant is expanded through a nozzle to generate thrust. Development of ceramic metal (cermet) fuel systems for NTP applications is currently ongoing at MSFC. In cermet fuel systems, ceramic fissile fuel particles such as uranium nitride or uranium dioxide are dispersed within a net-shaped, high-density structural matrix. The composite material is cladded by a protective metal structure to make up an NTP fuel element. Cladding materials must be able to withstand the demanding operating conditions required of the engine as well as retain a hermetic seal to allow for retention of fuel element structural integrity, prevent hydrogen attack or migration of the ceramic fuel, and limit release of fission products during operation. For NTP applications, tungsten is a prime material for both the metal matrix and cladding in cermet fuel systems because of its high melting point, high temperature strength, and compatibility with hot hydrogen. If a weld in tungsten with the capability of holding a hermetic seal is achievable, tungsten becomes a strong candidate for NTP applications. This Technical Memorandum focuses on determining the weldability of pure tungsten using electron beam welding (EBW). Tungsten appears well suited for NTP applications, but it has a high ductile to brittle transition temperature (DBTT) dependent upon chemical composition, structure/stress distribution, and mechanical conditions. Therefore, it is highly subject to brittle fracture. Because of its high susceptibility to brittle fracture, it is very difficult to weld. EBW was chosen for joining pure tungsten because of its low heat input compared to gas tungsten arc welding. Reduced heat input can be directly correlated with an increase in ductility of a tungsten weld. EBW is a high energy density welding process in which a stream of electrons penetrates a weld joint in a deep, narrow spike in contrast to a broad gas tungsten arc weld pool. The investigation initially focused on EBW of tungsten plates of both 0.01 in and 0.03 in thickness to determine if EBW could weld pure tungsten without the presence of visual defects—particularly cracking—in the welds. Variation in the weld procedure and post-weld heat treatment (PWHT) was used to improve the surface appearance of flat EBWs on a pure tungsten sheet. The investigation moved on to weld 0.05-in-thick hexagonal tungsten cans with a weld joint thickness of 0.025 in. The goal for welding the pure tungsten hex cans was to avoid any visual surface defects and generate a weld capable of a hermetic seal. This proved difficult. Cold welds commonly exhibited porosity that leaked air. Hot welds exhibited cracks, typically observed immediately after welding. Later welds were preheated to increase ductility and decrease the likelihood of through-thickness cracking. PWHT was used to arrest microcrack growth both in the flat weld samples and hexagonal weld samples.

Courtright, Z. S.↗

Extreme Environments Solar Power Project For Use Near Jupiter

The Extreme Environment Solar Power (EESP) Project goal was to develop solar cell and solar array design concept technologies for space power applications in high radiation and low solar intensity, low temperature (LILT) environments. NASA missions focused on outer planets, such as Jupiter, are subjected to intense radiation while experiencing less than ten percent of the solar flux relative to a mission in the general vicinity of Earth. Under these conditions, present solar array technology is not as efficient in converting the sun’s energy, and the solar array performance degrades quickly due to the additional radiation exposure. The EESP Project objectives were accomplished through four competitively selected contracts. These contracts were awarded with a Base and two option periods of performance. The Base requirements included System Design and Component Test & Analysis with a duration of nine and one half (9.5) months. The Option I requirements involved the fabrication of test hardware that NASA would evaluate following its delivery, and this period of performance had a duration of thirteen (13) months. The Option II requirements involved the fabrication of a scalable system prototype that can be integrated into a system level application and be demonstrated in a relevant environment. Option II had a duration of fifteen (15) months. The Transformational Array (TA) is an array concept developed by JHU-APL with Deployable Space Systems (DSS), SolAero Technologies and NewForge Technologies that proceeded through all three contract periods. The TA combines the DSS Roll Out Solar Array (ROSA) with Flexible Array Concentrator Technology (FACT) and SolAero’s Inverted Metamorphic Multijunction (IMM) solar cells for operation in the EESP Project environment. To achieve the EESP Project goals, the JHU-APL team conducted several investigations to improve performance of the solar cells and increase their efficiency, reduce outgassing contamination of the concentrators from the solar cell assembly adhesives, and to test the robustness of a sample blanket during deployment and retraction. Additionally, the team performed vibration, thermal cycling, and performance tests at a Standard Power Module (SPM) level. At the end of Option II, the JHU-APL team achieved the following performance metrics: • 39% beginning of life (BOL) cell efficiency at 5 AU and -125 C • 29% end of life (EOL) efficiency at the blanket level at 50 W/m2, -125 C and 4x1015 1 MeV e/cm2 • Increased specific power to 8 W/kg at EOL for the entire array including structure, deployment, and pointing mechanisms • Demonstrated the ability to survive numerous deploy-retract cycles without degradation • Reached a current System-Level Technology Readiness Level, TRL5 This presentation will describe the Transformational Array and component technologies and will discuss future potential uses for the system.

Anna Maria Pal↗

GeoMelt{sup R} In-Container Vitrification (ICV){sup TM} for Fukushima Daiichi Water Treatment Secondary Wastes - 20212

The Japanese government is supporting development work implemented jointly by Veolia subsidiaries Kurion Japan, K.K., Veolia Nuclear Solutions (VNS), Inc., and Veolia Nuclear Solutions Federal Services, LLC for treating radioactive waste generated from Fukushima Daiichi Nuclear Power Station (NPS) water treatment using the GeoMelt{sup TM} In-Container Vitrification (ICV){sup TM} technology. The initial work consisted of glass formulation and engineering-scale testing which was completed in 2018, in the frame of an IRID (International Research Institute for Nuclear Decommissioning) program as part of a project subsidized by Japan's Ministry of Economy, Trade and Industry (METI). The Fukushima Daiichi NPS Mid- and Long-Term Road-map requires investigation of methods to stabilize solid wastes (and to immobilize radioisotopes in the wastes) generated as a result of emergency response and decommissioning activities. Cooling water treatment has resulted in a significant amount of solid and slurry secondary wastes (mostly adsorbents and ion-exchange materials) which will require processing at some point. GeoMelt{sup R} ICV{sup TM} is a joule-heated melter technology which uses a refractory-lined single-use container combining the melter and disposal container. There is no pouring required nor concerns with refractory corrosion which allows the process to accommodate a wide range of waste chemistries and high waste loadings. The testing described here consisted of three engineering-scale melts, each processing between 212 kg and 240 kg of waste simulants, glass formers, and non-radioactive cesium (Cs) and strontium (Sr) tracers. Continuous isokinetic stack sampling of off-gas emissions was performed for each test in order to calculate Cs and Sr retention in the glass wasteform. Single-pass retention of Cs in the final glass wasteform ranged from 91.46 to 99.30%, and single-pass retention of Sr ranged from 99.76 to 100%. Planned particulate recycle will increase these retention levels. Melt 1 processed a mixture of KUR-EH (a zeolite-based ion-exchange material), simulated Advanced Liquid Processing System (ALPS) Carbonate and Iron Slurries, and glass additives. Melt 2 processed a mixture of KUR-EH, KUR-TSG (a titanate-based adsorbent), and glass additives. Melt 3 processed a mixture of KUR-EH, simulated barium sulfate/iron ferrocyanide sludge (AREVA sludge), and glass additives. Waste loadings for these melts ranged from 70 weight percent (wt%) to 82 wt%. Vitrification produces a waste form much denser than the stored water treatment secondary waste wastes, resulting in significant volume reduction. Volume reductions for the three tests ranged from 74 to 79 vol%. Vitrification produces a chemically durable wasteform. Pacific Northwest National Laboratory (PNNL) tested three glass samples from each engineering-scale melt) by the Materials Characterization Center 1 (MCC-1) test, an international standard leach test of the chemical durability of nuclear waste glasses. PNNL also obtained one U.S. reference glass (EA Glass) and two Japan reference glasses P0798) and tested these under the same MCC-1 conditions (90 deg. C, 10 m-1, DIW, and 7, 14, 28-day) as the GeoMelt{sup R} ICV{sup TM} glasses. The GeoMelt{sup R} ICV{sup TM} glasses exhibited lower total normalized releases and 14- to 28-day normalized release rates than the three reference glasses. These results suggest that the GeoMelt{sup R} ICV{sup TM} glasses have durabilities on par with high-level waste glasses under standard test conditions. Post-melt process sampling and analysis indicated no Cs migration into the melter refractory materials and very little deposition of Cs or Sr onto the melter hood or off-gas piping internals. The results of the testing indicated good Cs retention in the glass, high volume reduction and waste loadings, and excellent chemical durability. These factors are important to minimize treatment costs and to protect workers and the environment. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Recent Advances in the U.S. in Ablative TPS for In-situ Exploration of Giant Planets

The Decadal Survey report released [1] prioritizes Uranus as the highest priority Flagship class mission to be explored with an orbiter and a probe and it also recommended Saturn Probe under New Frontiers mission class. Thermal protection system (TPS) is essential for Uranus and Saturn probe missions. The two cardinal requirements are that it must be fail-safe and yet be mass efficient. The Decadal Survey report also pointed out the readiness of heatshield for extreme entry environment technology (HEEET) at TRL 6 for probe missions at Gas Giants. HEEET relies on 3-D weaving and is shown to be a robust and mass efficient TPS through ground testing and analysis. HEEET was matured to TRL 6 in 2019. HEEET was reported at the Ice Giant Workshop in 2019 at Marseille. Since 2019, significant advances have been made primarily because of Mars Sample Return (MSR) mission. MSR baselined 3-D Woven TPS as its heatshield for the earth entry system. MSR earth entry system (EES) requirements and the resulting heatshield/TPS requirements are most stringent of all entry missions. This is a result of backward contamination protection which classifies MSR as a “restricted class 5” mission to safeguard the accidental release of potentially hazardous Mars Sample into Earth’s atmosphere. Complex requirements for the heatshield start with micro-meteor impact tolerance followed by the requirement for steep entry to minimize the size of the impact footprint which results in extreme heating. The heatshield is part of the impact attenuation system. The EES architecture does not use a parachute and is designed to tolerate impact loads. Hence heatshield TPS selection and design becomes one of the key challenges. After completion of the HEEET technology maturation in 2019, IRAD efforts focused on assessing the 3-D Woven family of TPS to MSR EES. After nearly two years of evaluation of alternate TPS such as carbon phenolic, C-C hot structure, PICA, and 3-D woven family of TPS, a single layer 3-D woven TPS derived from the dual-layer HEEET was down selected and is currently the baseline. A new loom capable of weaving the single-layer 3-D woven preform at 80” wide has been designed, assembled and is currently on the verge of weaving the MSR EES TPS. During the HEEET maturation and the follow-on development, the single-layer TPS has been tested at extreme heating conditions. As a result, single layer TPS was recommended and evaluated during the Planetary Mission Concept Studies funded by NASA in preparation for the Decadal committee. In addition, in anticipation of Saturn mission proposals, single layer was evaluated as well. Aerocapture can reduce the trip time, also allow bigger payload fraction and in addition, it allows for the possibility of probe delivery once the spacecraft is in orbit. This can lead to obtaining both in-situ data as well as data from orbit simultaneously. Since Aerocapture depletes energy/velocity, probe delivery from orbit reduces the demand on TPS. Aerocapture was mentioned in the Decadal Study report as ready for implementation, but due to perceived risk it is not adopted by the mission designers. Establishing TPS readiness for aerocapture missions will be addressed. Going one step beyond aerocapture is aerogravity assist if fast return is the goal. Recent studies [4] looked at aerogravity assist and the TPS readiness. This talk will highlight both aerocapture and aerogravity assist from a TPS perspective. The main objective of this proposed talk is to present a comprehensive picture of the SOA TPS technology including recent developments. The talk will highlight advances in manufacturing, results from the Decadal White Papers, PMCS and other studies, and aerocapture and aerogravity assist that could play a role in the near or far term in-situ exploration.

E. Venkatapathy↗

Custom-trained Machine-learning Interatomic Potentials: ZnCl2 Aqueous Solution

This dataset was generated using an iterative active-learning strategy implemented in the ArcaNN software package (https://github.com/arcann-chem/arcann_training) to train machine-learning interatomic potentials for aqueous ZnCl2 solutions. Each active-learning cycle consisted of three stages: training, exploration, and labeling. The initial training set combined configurations generated in this work from enhanced-sampling ab initio molecular dynamics simulations with configurations from a previously reported neural-network-potential study of aqueous ZnCl2. The enhanced-sampling ab initio molecular dynamics simulations involved Zn–Cl separation and the chloride coordination number around Zn²? as collective variables. These configurations served as the seed dataset. Subsequent active-learning cycles expanded the training set by identifying and labeling configurations that were poorly represented by the current models, thereby improving coverage of ion-association states and changes in local coordination and charge-state environments relevant to the solution free-energy landscape. For all selected configurations, single-point calculations of the total energies and atomic forces were performed within density functional theory using the CP2K Quickstep module. Reference calculations employed the revPBE-D3 and r2SCAN exchange-correlation functionals. Motivated by recent work on aqueous Zn²?, the main revPBE calculations omitted D3 dispersion contributions involving Zn²?, while retaining the D3 correction for water and chloride. For comparison, fully dispersion-corrected revPBE-D3 reference calculations were also performed, with D3 applied to all species, including Zn²?. Valence electrons were treated explicitly, while core electrons were represented using norm-conserving Goedecker–Teter–Hutter pseudopotentials. The wave functions were expanded using the mixed Gaussian-and-plane-wave scheme with TZV2P-MOLOPT basis sets for all elements and a 600 Ry auxiliary plane-wave cutoff for the electron density. Self-consistent-field convergence was accelerated using the orbital-transformation and Direct Inversion in the Iterative Subspace algorithms, with a convergence threshold of 10?6. All single-point calculations were performed in periodic orthorhombic cells. The CELL_REF keyword in CP2K was used to define a fixed reference cell with a box length of 25 Å. This treatment ensured a consistent reference for configurations extracted from NpT trajectories with fluctuating cell dimensions. The resulting DFT energies and atomic forces constitute the ground-truth labels used to train the MLIPs. The resulting MLIP was trained for aqueous ZnCl2 solutions spanning concentrations from 0 to 30 molal and a broad pH range, from strongly acidic to strongly basic conditions. Representative examples of configurations included in the MLIP training dataset are provided below. These include 1) Representative configurations from the dataset labeled at the revPBE-D3 level, with D3 dispersion interactions involving Zn2+ excluded (revPBE-wo-D3). 2) Representative configurations from the dataset labeled at the fully dispersion-corrected revPBE-D3 level, with D3 interactions applied to all species, including Zn2+ (revPBE-D3). 3) Representative configurations from the dataset labeled at the r2SCAN level of theory (r2SCAN).

Dinpajooh, Mohammadhasan [Pacific Northwest Nation↗

Self-Propagating Frontal Polymerization in Water at Ambient Pressure

Advances in polymer chemistry have led to the development of monomers and initiation agents that enable propagating free-radical polymerization fronts to exist. These fronts are driven by the exothermicity of the polymerization reaction and the transport of heat from the polymerized product to the reactant monomer/solvent/initiator solution. The thermal energy transported to the reactant solution causes the initiator to decompose, yielding free radicals, which start the free radical polymerization process as discussed in recent reviews. The use of polymerization processes based on propagating fronts has numerous applications. Perhaps the most important of these is that it enables rapid curing of polymers without external heating since the polymerization process itself provides the high temperatures necessary to initiate and sustain polymerization. This process also enables more uniform curing of arbitrarily thick samples since it does not rely on heat transfer from an external source, which will necessarily cause the temperature history of the sample to vary with distance from the surface according to a diffusion-like process. Frontal polymerization also enables filling and sealing of structures having cavities of arbitrary shape without having to externally heat the structure. Water at atmospheric pressure is most convenient solvent to employ and the most important for practical applications (because of the cost and environmental issues associated with DMSO and other solvents). Nevertheless, to our knowledge, steady, self-propagating polymerization fronts have not been reported in water at atmospheric pressure. Currently, polymerization fronts require a high boiling point solvent (either water at high pressures or an alternative solvent such as dimethyl sulfoxide (DMSO) (boiling point 189 C at atmospheric pressure.) Early work on frontal polymerization, employed pressures up to 5000 atm in order to avoid boiling of the monomer/solvent/initiator solution. High boiling point solutions are needed because in order to produce a propagating front, a high front temperature is needed to produce sufficiently rapid decomposition of the free radical initiator and subsequent free radical polymerization and heat release at a rate faster than heat losses remove thermal energy from the system. (While the conduction heat loss rate increases linearly with temperature, the free radical initiator decomposition is a high activation energy process whose rate increases much more rapidly than linearly with temperature, thus as the temperature decreases, the ratio of heat loss to heat generation increases, eventually leading to extinction of the front if the temperature is too low.) In order to obtain atmospheric pressure frontal polymerization in water, it is necessary to identify a monomer/initiator combination that is water soluble and will not extinguish even when the peak temperature (T*) is less than 100 C. In this work acrylic acid (AA) was chosen as the monomer because is it one of the most reactive monomers and can polymerize readily at low temperatures even without initiators. Ammonium persulfate (AP) was chosen as the initiator because it decomposes readily at low temperatures, produces relatively few bubbles and is commercially available. The propagation rates and extinction conditions of the fronts are studied for a range of AA and AP concentrations. Small amounts of fumed silica powder (Cab-o-sil, Cabot Corporation) were added to the solutions to inhibit buoyancy induced convection in the solutions; future studies will investigate the effects of buoyant convection within the solutions.

Olten, Nesrin↗

Development of an ERT‐Based Framework for Bentonite Buffers Monitoring From Laboratory Tests: 1. Characterizing Thermal–Hydrological–Mechanical Processes

Abstract Bentonite clay is widely used in engineered barrier systems for the permanent disposal of high‐level radioactive waste due to its low permeability, high swelling capacity, and thermal stability. However, the complex thermal‐hydrological‐mechanical (THM) processes induced by heating from decaying radioactive waste and hydration from surrounding rock can lead to heterogeneous changes that are difficult to measure and predict. This study develops an Electrical Resistivity Tomography (ERT)‐based framework for monitoring THM processes, progressing from sample‐scale to bench‐scale tests, to inform field‐scale applications. Sample‐scale tests analyzed small bentonite samples under controlled variations in water content, temperature, and porosity to establish fundamental resistivity relationships. Bench‐scale tests involved larger bentonite columns subjected to heating (up to 200°C) and hydration under controlled pressure, simulating repository conditions. ERT measurements, complemented by X‐ray CT imaging, temperature monitoring, and tracing sensors, revealed coupled THM processes, such as hydration‐induced compression, swelling, and thermal gradients, leading to complex resistivity patterns. The results demonstrate the potential of ERT for capturing THM‐induced resistivity changes, though challenges remain in upscaling and quantitative analysis. This study evaluates laboratory test capabilities and proposes future improvements for understanding THM‐induced resistivity responses. A conceptual framework for ERT implementation in field‐scale monitoring is presented, synthesizing findings from both scales and exploring how ERT data can inform long‐term modeling and reduce prediction uncertainties. Overall, this ERT‐based framework offers a robust method for monitoring bentonite buffers, aiding in early issue detection and supporting the safe long‐term disposal of radioactive waste in geological repositories, while highlighting the need for future development. Plain Language Summary Bentonite clay is crucial in engineered barrier systems (EBS) for containing high‐level radioactive waste due to its ability to absorb water, swell, seal and remain stable under high temperatures. When bentonite absorbs water and heats up from radioactive decay, it experiences complex changes in its physical and mechanical properties. Understanding these changes is important for ensuring the long‐term safety and effectiveness of EBS. This study used Electrical Resistivity Tomography (ERT), a non‐invasive method that measures electrical conductivity to monitor these changes during laboratory experiments. The ERT data revealed significant variations in resistivity corresponding to changes in water content, temperature, and density, providing detailed spatial and temporal insights into the behavior of bentonite. These findings enhance our ability to predict the long‐term performance of bentonite barriers, ensuring the safe containment of radioactive waste. By improving our understanding of bentonite's behavior, this research supports the development of more reliable and effective barrier systems for radioactive waste disposal, protecting the environment and public health. Key Points ERT monitoring was employed to capture resistivity changes in bentonite during controlled heating and hydration experiments, providing insights into THM processes ERT data reveal significant resistivity changes correlated with water content, temperature, and mechanical effects, enhancing the understanding of THM dynamics in bentonite This study explores the potential of the framework for application in field‐scale EBS monitoring, emphasizing the need for integrating additional geophysical methods for comprehensive subsurface imaging

Chen, Hang↗

High-throughput spin-bath characterization of spin defects in semiconductors

Detailed knowledge of the local environments of spin defects in semiconductors, such as nitrogenvacancy (NV) centers in diamond or divacancies in silicon carbide, is crucial for optimizing control and entanglement protocols in quantum sensing and information applications. However, at present a direct experimental characterization of individual defect environments is not scalable, as conventional spin-bath measurements are time consuming and difficult to automate. Achieving high-throughput characterization requires short experiments to probe the spin bath. However, with fewer and noisier measurements, the inverse problem of recovering spin-bath properties from measured data becomes ill posed, with multiple spin baths having a high likelihood of yielding the same data. In this work, we present a set of computational tools to resolve the ill-posed inverse problem of recovering the atomic positions and hyperfine couplings of random nuclei surrounding spin defects from sparse, noisy experimental coherence data, which can be obtained in hours. Here, we use a trans-dimensional Bayesian approach that incorporates ab initio data to yield full posterior distributions over nuclear spin environments, enabling robust recovery from limited data. We also provide practical tools and guidelines to determine the limits of detectability for hyperfine couplings under specific dynamical decoupling sequences and sampling conditions. In addition, we demonstrate how the tools developed here, in combination with ab initio simulations of spin baths, can guide the design of efficient experimental protocols for application-specific high-throughput screening. To showcase the utility of our approach, we apply it to design fast dynamical decoupling experiments to characterize the spin baths often individual NV centers in diamond. While the primary focus is on accelerating spin-bath characterization of spin defects, this Bayesian approach also lays the foundation for digital-twin studies of spin defects, where a virtual model of the spin-defect system evolves in real time with ongoing experimental measurements. Together, the set of tools we designed and applied paves the way for scalable deployment of spin defects in semiconductors for quantum sensing and information applications.

Bayesian methods↗

Rocket Lab Venus - Enabling Low-Cost Interplanetary Missions

Rocket Lab’s mission to Venus [1], launching in January 2025, aims to demonstrate that small launch vehicles, such as Electron, and high-energy small spacecraft, such as Photon, can enable a new paradigm of regular, low-cost interplanetary missions. The Electron launch vehicle will deliver the Photon spacecraft carrying the entry probe into low earth orbit, at which point Photon will take over and put both itself and the attached probe on an Earth-Venus transfer trajectory, with assistance from a Lunar flyby. The primary science objective of the mission is to sample the Venusian cloud layers between atitudes of 45 and 60 km above the surface with an autofluorescing nephelometer. The ~1kg scientific instrument will be carried by a small ~17 kg direct entry probe which will separate from the Photon spacecraft approximately 30 minutes prior to atmospheric entry. The probe outer mould line is a scaled down version of the Deep Space 2 probes [2]. NASA’s newly developed 3D Woven Carbon Phenolic, a derivative of the Heatshield for Extreme Entry Environment Technology (HEEET) material [3], is an enabling technology for this mission, and it will comprise the probe forebody heat shield.The probe will communicate directly back to the Earth during its descent via a small on-board radio frequency (RF) antenna. The hyperbolic Venus encounter will see the probe enter the Venusia atmosphere at approximately 11 km/s with an entry flight path angle (EFPA) of about 10°. This relatively low entry angle was selected to increase the duration of the descent phase, reduce the peak deceleration, and reduce the sensitivity of the nominal entry environments to navigational errors. For reference, the Pioneer Venus probes entered at EFPAs varying from about 25° to 70°, resulting in peak decelerations between around 220 and 450 g’s and peak stagnation point heat fluxes ranging from about 40 to 75 MW/m2 [4]. In comparison, the Rocket Lab Venus probe will experience a lower preak deceleration of around 60 g’s and a lower peak stagnation point heat flux of about 15 MW/m2, at the cost of a greater total heat load and correspondingly higher thermal protection system (TPS) mass fraction. This paper recounts the development history of the TPS for the Rocket Lab Venus probe, with a focus on the unique requirements of the mission. In particular, the effect on the TPS design of the mission’s tight budget, short development timeline, slim mass and RF link margins, and mild but long duration entry heating. Rocket Lab’s initial investigations into a ‘hybrid’ TPS [5] based on a scaled version of the Pioneer Venus full-density carbon phenolic forebody shield, and the abandonment of this approach in favour of NASA’s 3D Woven Carbon Phenolic is presented. Additionally, the leveraging of previous testing under the HEEET project at higher conditions and the associated TPS margining strategy that was adopted to avoid the need for extensive mission-specific arc jet testing is discussed. Finally, this paper concludes with a brief consideration of the feasibility of a future low-cost aerocapture technology demonstrator mission based on the 2025 Rocket Lab Venus mission and entry probe.

Lyle Campbell↗

Mercury Speciation During Vitrification of LAW

n this work, laboratory and engineering-scale tests were conducted that mimic the reactive environment of the Hanford Tank Waste Treatment and Immobilization Plant (WTP) low activity waste (LAW) melter and off-gas system in order to assess the speciation of mercury at select points in the processing system. The experimental protocols, test equipment, feed materials used, and rationale for testing are detailed in the Test Plan for this work. Particular attention was paid to the amount and speciation of mercury in submerged bed scrubber (SBS) solutions, which are intended to be recycled back to the melter feed at the WTP. Results are presented from detailed mercury analysis of these solutions using Environmental Protection Agency (EPA) Method 1630 and modifications to this method for dimethyl mercury and methyl mercury as well as EPA Method 1631 and modifications to this method for total, dissolved, elemental, suspended, and ionic mercury. Testing was conducted in two separate sets of experiments: (1) One set of tests (crucible-scale furnace tests) that involved heating small batches of mercury-spiked melter feed in crucibles to determine the amount of mercury retained in the glass and the species of mercury in the exhaust gases; (2) A second set of tests (DM10 melter tests) was planned that involved creating LAW melter plenum gas compositions using the DM10 melter system, injecting mercury into the off-gas stream, and passing that stream though a reactor that simulates various plenum gas conditions. Operational issues led to the need to use one of the VSL DM100 melters in place of the planned DM10 melter for these tests. The speciation of mercury after exposure to those conditions was monitored. In both sets of tests, the exhaust gases were run through a scrubber that was intended to mimic the LAW SBS in order to determine how much of the mercury exiting the melter would be retained in the primary off-gas system fluids and in what form. After passing through the SBS, the exhaust stream was analyzed to determine particulate, ionic, elemental, and total mercury passing downstream of the SBS. In tests employing gases derived from the DM100 melter that were spiked with elemental mercury, the processing system provided gas temperatures and residence times that are representative of the WTP LAW vitrification system in order to assess the effect of those conditions on mercury speciation. The Decontamination Factor (DF) across the system in the tests with mercury-spiked DM100 melter exhaust was determined using the analytical data from EPA Method 30B (Fluegas Adsorption Mercury Speciation (FAMS TM )) exhaust samples and the amount of mercury detected in the SBS solutions. Mercury species used in melter feed crucible scale tests were divalent (chloride and iodide), monovalent (chloride and fluoride), and elemental mercury. Individual tests included only a single form of mercury in the feed. The results for total mercury mass balances in the crucible tests are also presented.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Subsurface Sampling and Sensing Using Burrowing Moles

Finding evidence for life on Mars will likely require accessing the subsurface since the Martian surface is both hostile to life and to preservation of biosignatures due to the cold dry conditions, the strong W environment, and the presence of strong oxidants. Systems are needed to probe beneath the sun and oxidant baked surface of Mars and return samples to the surface for analysis or to bring the instrument sensing underground. Recognizing this need, the European Space Agency incorporated a small subsurface penetrometer or Mole onto the Beagle 2 Mars lander. Had the 2003 landing been successful, the Mole would have collected samples from 1-1.5 m depth and delivered them to an organic analysis instrument on the surface. The de- vice called the Planetary Underground Tool (PLUTO), also measured soil mechanical and thermophysical properties. Constrained by the small mass and volume allowance of the Beagle lander, the PLUTO mole was a slender cylinder only 2 cm diameter and 28 cm long equipped with a small sampling device designed to collect samples and bring them to the surface for analysis by other instrument. The mass of the entire system including deployment mechanism and tether was 1/2 kg. sensor package underground to make in situ measurements. The Mars Underground Mole (MUM) is a larger Mole based on the PLUTO design but incorporating light collection optics that interface to a fiber optic cable in the tether that transmits light to a combined stimulated emission Raman Spectrometer and Short Wave Infrared (SWIR) reflectance Spectrometer with sensitivity from 0.7 to 2.5 micrometers. This instrument is called the Dual Spectral Sensor and uses a Digital Array Scanning Interferometer as the sensor technology, a type of fourier transform interferometer that uses fixed element prisms and thus is highly rugged compared to a Michaelson interferometer. Due to the size limitations of an on-Mole instrument compartment, and the availability of a tether, the sensor head, light sources, and control electronics for the instrument are on the surface. The DSS sensor is capable of sensing a wide range of minerals relevant to Mars Astrobiology objectives including hydrated minerals, clays, carbonates, sulfates, and ice. Additionally, Raman spectroscopy is effective for detecting organics. The MUM is designed to achieve a maximum depth of penetration of 5 m in Mars regolith and can be repeatedly deployed and retrieved. The ability to perform repeated sampling, combined with the low mass and power requirements, means that Moles could be incorporated into a rover mission as well as used on a stationary platform. The Mole mechanism is a pointed slender cylinder that advances into soil by way of an internal sliding hammer mechanism. Part of the energy released by the spring-loaded hammer with each shock is transferred to the Mole casing and from there to the soil, resulting in penetration by displacing and compressing the surrounding soil. A backwards-directed impulse as a re- action to each forward shock is transferred via a suppressor mass against a second weaker spring allowing forward motion without requiring reactive forces provided by the lander. The Mole tip can be opened to collect soil samples. The Mole casing is tethered to a supporting mechanism that supplies power. Components supporting the Mole on the surface include a launch tube, tether reel and winch for pulling in tether, in addition to the tether itself.

Stoker, C. R.↗

Acid Sulfate Alteration in Gusev Crater, Mars

The Mars Exploration Rover (MER) Spirit landed on the Gusev Crater plains west of the Columbia Hills in January, 2004, during the Martian summer (sol 0; sol = 1 Martian day = 24 hr 40 min). Spirit explored the Columbia Hills of Gusev Crater in the vicinity of Home Plate at the onset on its second winter (sol approximately 900) until the onset of its fourth winter (sol approximately 2170). At that time, Spirit became mired in a deposit of fined-grained and sulfate-rich soil with dust-covered solar panels and unfavorable pointing of the solar arrays toward the sun. Spirit has not communicated with the Earth since sol 2210 (January, 2011). Like its twin rover Opportunity, which landed on the opposite side of Mars at Meridiani Planum, Spirit has an Alpha Particle X-Ray Spectrometer (APXS) instrument for chemical analyses and a Moessbauer spectrometer (MB) for measurement of iron redox state, mineralogical speciation, and quantitative distribution among oxidation (Fe(3+)/sigma Fe) and coordination (octahedral versus tetrahedral) states and mineralogical speciation (e.g., olivine, pyroxene, ilmenite, carbonate, and sulfate). The concentration of SO3 in Gusev rocks and soils varies from approximately 1 to approximately 34 wt%. Because the APXS instrument does not detect low atomic number elements (e.g., H and C), major-element oxide concentrations are normalized to sum to 100 wt%, i.e., contributions of H2O, CO2, NO2, etc. to the bulk composition care not considered. The majority of Gusev samples have approximately 6 plus or minus 5 wt% SO3, but there is a group of samples with high SO3 concentrations (approximately 30 wt%) and high total iron concentrations (approximately 20 wt%). There is also a group with low total Fe and SO3 concentrations that is also characterized by high SiO2 concentrations (greater than 70 wt%). The trend labeled "Basaltic Soil" is interpreted as mixtures in variable proportions between unaltered igneous material and oxidized and SO3-rich basaltic dust. The Moessbauer parameters are not definitive for mineralogical speciation (other than octahedrally-coordinated Fe(3+) but are consistent with a schwertmannite-like phase (i.e., a nanophase ferric oxide). The high oxidation state and values of Moessbauer parameters (center shift and quadrupole splitting) for the high-SO3 samples imply ferric sulfate (i.e., oxidized sulfur), although the hydration state cannot be constrained. In no case is there an excess of SO3 over available cations (i.e., no evidence for elemental sulfur), and Fe sulfide (pyrite) has been detected in only one Gusev sample. The presence of both high-SiO2 (and low total iron and SO3) and high SO3 (and high total iron as ferric sulfate) can be accommodated by a two-step geochemical model developed with the Geochemist's Workbench. (1) Step 1 is anoxic acid sulfate leaching of Martian basalt at high water-to rock ratios (greater than 70). The result is a high-SiO2 residue0, and anoxic conditions are required to solubilize Fe as Fe(2+). (2) Step 2 is the oxic precipitation of sulfate salts from the leachate. Oxic conditions are required to produce the high concentrations of ferric sulfate with minor Mg-sulfates and no detectable Fe(2+)-sulfates.

Morris, R. V.↗

Test Cases for a Clipped Delta Wing with Pitching and Trailing-Edge Control Surface Oscillations

Steady and unsteady measured pressures for a Clipped Delta Wing (CDW) undergoing pitching oscillations and trailing-edge control surface oscillations have been presented . From the several hundred compiled data points, 22 static cases, 12 pitching-oscillation cases, and 12 control-surface-oscillation cases have been proposed for Computational Test Cases to illustrate the trends with Mach number, reduced frequency, and angle of attack. The planform for this wing was derived by simplifying the planform of a proposed design for a supersonic transport which is described as the Boeing 2707-300. The strake was deleted, the resulting planform was approximated by a trapezoid with an unswept trailing edge, and the twist and camber were removed. In order to facilitate pressure instrumentation, the thickness was increased to 6 percent from the typical 2.5 to 3 percent for the supersonic transport. The airfoil is thus a symmetrical circular arc section with t/c = 0.06. A wing of similar planform but with a thinner airfoil of t/c = 0.03 was used in the flutter investigations, and the buffet and stall flutter investigation . Flutter results are also reported both for the 3 per cent thick simplified wing and for a more complex SST model. One of the consequences of the increased thickness of the clipped delta wing is that transonic effects are enhanced for Mach numbers near one. They are significantly stronger than would be the case for the thinner wing. Also, with the combination of high leading edge sweep of 50.5, and the sharp leading edge, a leading edge vortex forms on the wing at relatively low angles of attack, on the order of three degrees. The Appendix discusses some of the vortex flow effects. In addition, a shock develops over the aft portion of the wing at transonic speeds such that at some angles of attack, there is both a leading edge vortex and a shock wave on the wing. Such cases are a computational challenge. Some previous applications of this data set have been for the evaluation of an aerodynamic panel method and for evaluation of a Navier-Stokes capability. Linear theory and panel method results are also presented, which demonstrated the need for inclusion of transonic effects. Flutter calculations for the related wing with t/c=O.O3 are given. In this report several Test Cases are selected to illustrate trends for a variety of different conditions with emphasis on transonic flow effects. An overview of the model and tests are given, and the standard formulary for these data is listed. For each type of data, a sample table and a sample plot of the measured pressures are presented. A complete tabulation and plotting of the Test Cases is given. Only the static pressures and the 1st harmonic real and imaginary parts of the pressures are available. All of the data for the test are included in a microfiche document in the original report and are available in electronic file form. The Test Cases are also available as separate electronic files.

Bennett, Robert M.↗

Mineralogical Analysis of Calcium-Aluminum-Rich Inclusions Provides Insight Into Post-Formation Processes

Introduction: Calcium-aluminum inclusions (CAIs) are cm- to mm-sized intergrowths of refractory phases found in chondritic meteorites [1]. Their mineral compositions closely match the compositions of the solids thought to condense from an extremely hot (>1500K) gas with a bulk solar composition [2-4], suggesting that CAIs were the earliest solids within the Solar System [2-4]. These inclusions provide invaluable insights into the conditions and dynamics of the early Solar System. CAIs must be transported from their formation region near the protosun to the chondrite parent-body accretion region. The nature of their journey could affect how, when, and where the secondary processes recorded in these CAIs occurred [4]. Did these secondary processes occur in the solar nebula or during accretion with the parent body, or both? How were the CAIs affected by varying thermochemical processes? To better answer these questions, we have undertaken an in-depth, textural study of the secondary alteration of select CAI samples. Methods: We chose three CAIs that experienced a range of post-formation processing to gain better understanding of secondary alteration based on previous preliminary examination [5]. Representative CAIs were chosen from NWA 5508 (CV3), NWA 12772 (CV3), and Coolidge (CL4) carbonaceous chondrites. We used scanning electron microscopy (SEM) and electron backscatter diffraction (EBSD) techniques for detailed chemical, mineralogical, and textural analysis of the CAIs. Backscattered electron (BSE) images and X-ray elemental maps were taken of Coolidge and NWA 5508 using the Lunar and Planetary Institute (LPI) Phenom SEM. The JEOL 7900F SEM at NASA Johnson Space Center (JSC) was used to obtain energy dispersive spectroscopy (EDS) chemical maps of all samples. High resolution EBSD analysis identified the mineral phases and textures, providing key information on their nature. Based on the SEM and EBSD data, minerals of interest were selected for quantitative chemical electron probe micro-analysis (EPMA) using the JEOL JXA-8530F at NASA JSC. Results and Discussion: The EDS maps show that the NWA 5508 and NWA 12772 CAIs designated “Saguaro” and “Hoopoe” respectively [5] are enriched in calcium while the Coolidge CAI designated “Cottonwood” is aluminum and magnesium rich. Saguaro. A ~1.5cm diameter igneous Type B CAI with a rounded shape. The dominant phases are melilite, spinel, and Al-Ti pyroxene with minor anorthite. Spinel is subhedral and occurs in clusters. Some of these clusters have a circular geometry which encloses other minerals, known as a palisade structure [6] (Fig. 1). Some palisades form near perfect circles while others are more irregular in shape. Melilite in Saguaro ranges in size from coarse (>250m) to fine-grained (5-7m) and forms intergrown laths. A third of the melilite grains exhibit simple twinning about their <001> axis. The spinel palisades and twinned melilite in Saguaro suggest an igneous history, and the lack of secondary minerals suggests minimal aqueous alteration. At some point in time after the initial condensation of the minerals and formation of the inclusion, the sample was remelted and quickly solidified. The formation of the palisades is still heavily debated. One hypothesis is that the palisades are the rims of smaller CAIs that accreted early on, essentially acting as xenoliths within the larger CAIs [7]. Another hypothesis suggests an igneous origin for palisade structures [6-8] wherein the melt traps gas bubbles, and the spinel nucleates on the surface of this bubble. Based on the WDS spot analyses of 41 melilite grains using EPMA, the data suggest that the composition inside and outside the palisades is nearly identical. This finding indicates that these palisades are likely not exogenous but rather formed from melt-vapor reactions. Our results are consistent with studies by Simon and Grossman,1997 [6] and Zhang et al. (2019) [8]. Hoopoe. A ~0.5cm compact Type A CAI with an irregular shape. The dominant mineral phases are melilite, spinel, and hibonite with minor amounts of anorthite, augite, and perovskite. The melilite ranges in size from ~500 to 50µm. The larger melilite grains have simple twinning along the <001> axis like melilite in Saguaro. Melilite in Hoopoe exhibits crystal-plastic strain with misorientation dominantly about the <010> and <110> axes. Spinel shows subhedral to euhedral morphology and appears in clusters. Hibonite grains are similar to spinel in habit and size but show more plastic strain. The two minerals are often found together with one appearing to replace the other. Perovskite appears in fine grained recrystallized regions alongside fine augite and spinel. The abundant strain and deformation features in the melilite and hibonite suggest that Hoopoe experienced shock. This shock could have occurred in the nebula [9] or from an impact of another body on the parent body asteroid. The appearance of fine-grained (<10m) areas of augite, perovskite, and spinel in the dominantly coarse-grained inclusion suggest recrystallization, possibly due to the sudden increase in pressure and temperature. Cottonwood. This ~0.5cm CAI exhibits distinct mineralogy and textures suggesting a high degree of alteration. It is irregular in shape. The dominant mineral phases are spinel and anorthite with minor amounts of augite and rutile. The two main texture types can be seen in Fig. 2. The first type consists of coarse euhedral to subhedral spinel and anorthite. The second includes fine grained spinel, anorthite, rutile, and iron sulfides. Within these fine-grained regions, the anorthite grains are clustered into domains exhibiting the same crystallographic orientation. Rutile exclusively occurs with fine anorthite indicating a potential relationship between the two. Cottonwood has a clear and unbroken Wark-Lovering [10] rim (Fig. 2) on one side that consists of a sequence of spinel followed by anorthite and an outer layer of augite. The abundance of the fine-grained regions containing iron oxides and iron sulfides, secondary phases such as rutile, and oriented anorthite grains is evidence for recrystallization associated with a high degree of thermal metamorphism. The EPMA analyses on both coarse- and fine-grained spinel show that the fine spinel grains are more enriched in Cr (1-2 wt. %) than their coarse counterparts (0.1-0.5 wt. %). The data suggest thermal metamorphism drove chemical exchange of the previously refractory inclusion, introducing chromium and iron as well as sulfur, which is moderately volatile. Conclusions: The three CAIs analyzed record distinct secondary nebular and parent body processes. Saguaro melted in the nebula as seen by the twinned melilite and spinel palisades. Hoopoe experienced intense shock which deformed its melilite and recrystallized perovskite, augite, and spinel in fine-grained regions. Cottonwood shows evidence of recrystallization and chemical changes consistent with thermal metamorphism occurring after accretion into the parent-body.

V E Burnette↗