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DOE OSTI2025

Strength, deformation, and the fcc–hcp phase transition in condensed Kr and Xe to the 100 GPa pressure range

The rare gas solids exhibit systematic differences in crystal structure, phase transition conditions, bond strength, and other physical properties. The physical properties of heavy rare gas solids krypton and xenon are modified by the martensitic phase transition from face-centered cubic to hexagonal close packed structure over a broad pressure range. Crystal structure, strength, and plastic deformation of krypton and xenon have been investigated at 300 K using compression in the diamond-anvil cell with synchrotron angle-dispersive x-ray diffraction and complementary ruby fluorescence spectroscopy for Xe. Stacking faults indicative of the fcc–hcp phase transition are observed at pressures at and above 1.23 ± 0.05 and 1.9 ± 0.6 GPa in Kr and Xe, respectively. The transition remains incomplete in both solids to pressures greater than 100 GPa. Strength determined from stress measurements in Pt and ruby standards at pressures up to 111 GPa and complemented by observations of strain and texture measurements obtained by x-ray diffraction in the radial geometry to 100 GPa indicates similar or higher strength than Ar at all conditions, with significant stiffening at 15–20 GPa. Radial diffraction data reveal the persistence of broad highly textured fcc diffraction lines to 101 GPa in Xe, suggesting that the axial measurements may underestimate the metastable persistence of the fcc phase due to biased sampling of hcp crystallites resulting from preferred crystallite orientation. Kr and Xe are compared with He, Ne, and Ar for a systematic understanding of physical properties and phase equilibria of rare gas solids.

Compressive stress↗

DOE OSTI2023

Dinitrogen Binding and Functionalization from a Low-Coordinate Alkynyliron Complex

Alkynyl complexes of low-coordinate transition metals offer a sterically open environment and interesting bonding opportunities. Here, in this work, we explore the capacity of iron(I) alkynyl complexes to bind N 2 and isolate a N 2 complex including its X-ray crystal structure. Silylation of the N 2 complex gives an isolable, formally iron(IV) complex with a disilylhydrazido(2−) ligand, but natural bond orbital analysis indicates that an iron(II) formulation is preferable. The structure of this compound is similar to an earlier reported phenyl complex in which phenyl migration forms a new N–C bond, but the alkynyl group does not migrate. DFT calculations are used to test the possible reasons why the alkynyl is resistant to migration, and these show that the large Fe–C bond energy in the alkynyl complex is a factor that could contribute to the lack of migration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1985

Simulation evaluation of display/FLIR concepts for low-altitude, terrain-following helicopter operations

Trials were run on a six degree of freedom combat helicopter simulator to evaluate head-down displays with integrated FLIR imagery for terrain-following, course-steering, and transition to approach and hover helicopter pilot tasks. Three display formats were tested, providing varying levels of symbology for, e.g., the flight path angle, pitch-attitude data, vertical speed, altitude, etc. The pilots were also furnished flight director guidance, i.e., terrain-following, course steering, airspeed hold, and approach to hover. All the displays permitted the pilots to fly satisfactory mission in the CGI scenarios. The results revealed that the pilots preferred a nonconformal FLIR display superposition.

Swenson, H. N.↗

NASA NTRS1995

Fossilization Processes in Thermal Springs

To create a comparative framework for the study of ancient examples, we have been carrying out parallel studies of the microbial biosedimentology, taphonomy and geochemistry of modem and sub-Recent thermal spring deposits. One goal of the research is the development of integrated litho- and taphofacies models for siliceous and travertline sinters. Thermal springs are regarded as important environments for the origin and early evolution of life on Earth, and we seek to utilize information from the fossil record to reconstruct the evolution of high temperature ecosystems. Microbial contributions to the fabric of thermal spring sinters occur when population growth rates keep pace with, or exceed rates of inorganic precipitation, allowing for the development of continuous biofilms or mats. In siliceous thermal springs, microorganisms are typically entombed while viable. Modes of preservation reflect the balance between rates of organic matter degradation, silica precipitation and secondary infilling. Subaerial sinters are initially quite porous and permeable and at temperatures higher than about 20 C, organic materials are usually degraded prior to secondary infilling of sinter frameworks. Thus, organically-preserved microfossils are rare and fossil information consists of characteristic biofabrics formed by the encrustation and underplating of microbial mat surfaces. This probably accounts for the typically low total organic carbon values observed in thermal spring deposits. In mid-temperature, (approx. 35 - 59 C) ponds and outflows, the surface morphology of tufted Phormidium mats is preserved through mat underplating by thin siliceous: crusts. Microbial taxes lead to clumping of ceils and/or preferred filament orientations that together define higher order composite fabrics in thermal spring stromatolites (e.g. network, coniform, and palisade). At lower temperatures (less than 35 C), Calothrix mats cover shallow terracette pools forming flat carpets or pustular surfaces that produce palisade and "shrub" fabrics, respectively. At finer scales, composite fabrics are seen to consist distinctive associations of microstructures formed by the encrustation of individual cells and filaments. Composite fabrics survive the diagenetic transitions from primary opaline silica to quartz and are known from subaerial thermal spring deposits as old as Lower Carboniferous. However, fossil microorganisms tend to be rare in older deposits, and are usually preserved only where cells or sheaths have been stained by iron oxides. In subaqueous mineralizing springs at lower temperatures, early infilling leads to a more rapid and complete reduction in porosity and permeability. This process, along with the slower rates of microbial degradation at lower temperatures, creates a more favorable situation for organic matter preservation. Application of this taphonomic model to the Rhynie Chert, previously interpreted as subaerial, suggest it was probably deposited in a subaqueous spring setting at lower temperatures.

Farmer, Jack D.↗

DOE OSTI2025

Quantification of grain rotation in bulk nanostructured copper via in situ heating white beam synchrotron X-ray diffraction

Grain rotation during microstructural relaxation under heating is conventionally studied extensively through transmission electron microscopy and simulations. However, there is a shortage in examining grain rotations at larger length and volume scales in bulk materials. It is critical to understand the thermal stability of bulk nanostructured metals, since those enhanced mechanical properties have been well recognized. Here, this study aimed to employ a white beam microdiffraction X-ray technique under in situ heating from 300 K to 1073 K at 12 K/min on a nanostructured copper processed by high-pressure torsion, yielding an initial grain size of ∼260 nm before the heating. Evaluation across a wide range of temperatures reveals transition temperatures associated with microstructural relaxation processes. By tracking separate Laue diffraction peaks stemming from individual grains, changes in their orientations can be estimated and quantified. This approach becomes particularly effective when the number of grains within the probed volume is reasonably small. At temperatures above 940 K, about 7.5 % of Cu grains are rotating at speeds of ∼2 × 10 –3 °/s. The radial direction of the disk specimen is found to be the preferred direction of grain rotation, with the rotation axis along the shear direction. Further analysis found no correlation between peak intensity and peak size, related to grain sizes and deviatoric strain, respectively, with rotation conditions or speed. These findings demonstrate that the diffraction technique utilizing white beam X-rays is a complementary and novel characterization tool for understanding microstructural evolution, especially in grain rotations, of bulk crystalline materials.

Grain orientation↗

DOE OSTI2021

Material Design Strategy for Halide Solid Electrolytes Li 3 MX 6 (X = Cl, Br, and I) for All-Solid-State High-Voltage Li-Ion Batteries

Although several solid electrolyte (SE) candidates have been explored, achieving the necessary combination of performance, stability, and processability has been challenging. Recently, several lithium ternary halides have attracted increasing attention for SEs because of their favorable combination of high ionic conductivity and wide electrochemical window. This study aims to provide a material design strategy for lithium halides Li 3 MX 6 (X = Cl, Br, and I) for high-voltage all-solid-state Li-ion batteries, achieved by the systematic investigation of crystal structures, phase and electrochemical stabilities, electronic and mechanical properties, and ionic conductivities. Calculation results reveal that the electronegativity difference between M and X affects structural properties and stabilities. Weak Coulomb interactions in Li 3 MX 6 result in the preference of the monoclinic phase, and the oxidation potential and chemical stability against the cathode materials of Li 3 MX 6 increase for relatively small X. Chlorides exhibit the highest oxidation potential (~4.3 V) among Li 3 MX 6 , suggesting that chlorides are appropriate SEs for high-voltage cathodes. The band gap and elastic moduli increase for relatively small X, suggesting the relatively low electronic conductivity and elastic deformability of chlorides. Chlorides with transition metals typically exhibit trigonal phases, a wider electrochemical stability window, a larger band gap, and higher elastic moduli compared to other types of halides. Additionally, chloride Li 3 MCl 6 is expected to have relatively high ionic conductivities with the aliovalent substitution of M 3+ to Zr 4+ and the anion mixing of Cl with Br. The findings of this study will provide fundamental guidelines for the development of lithium halide SEs for high-voltage all-solid-state Li-ion batteries.

25 ENERGY STORAGE↗

DOE OSTI2026

Determinants of Stereoselectivity in Monoterpene Synthases

Monoterpene synthases (MTSs) catalyze the conversion of an achiral prenyl diphosphate precursor, most commonly geranyl diphosphate (GPP), into structurally and stereochemically diverse products. However, remains poorly understood. Here, we combine enzymatic assays with six MTSs and selected variants, along with extensive molecular dynamics simulations to the mechanistic basis of stereoselectivity. We demonstrate that the preferred helical binding conformation of GPP, determined from free-energy calculations and selected crystal structures of MTSs, correlates well with the experimentally determined stereoselectivity of MTSs, whereas only a poor correlation is observed between the binding of enantiomers of linalyl diphosphate (LPP), a chiral intermediate of MTS catalysis, and the stereochemical reaction outcomes. Free energy maps indicate that enzyme-bound GPP conformers preferentially occupy regions that enable a direct and stereochemically faithful transition from GPP to subsequent carbocations. In contrast, LPP frequently populates regions of the energy surface where conformational scrambling can occur, thus leading to a lack of correlation between LPP enantiomer binding and product stereochemistry. Overall, these findings establish that the configuration of GPP is the primary determining factor for stereochemical outcomes in MTSs, offering a new framework for designing stereoselective terpene synthases.

Srividya, Narayanan (ORCID:0000000179347987)↗

DOE OSTI2021

Enantioselective C–H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands

The trityl-substituted bisoxazoline ( TrH BOX) was prepared as a chiral analogue to a previously reported nickel dipyrrin system capable of ring-closing amination catalysis. Ligand metalation with divalent NiI 2 (py) 4 followed by potassium graphite reduction afforded the monovalent (TrH BOX)Ni(py) (4). Slow addition of 1.4 equiv of a benzene solution of 1-adamantylazide to 4 generated the tetrazido ( TrH BOX)Ni(κ 2 -N 4 Ad 2 ) (5) and terminal iminyl adduct ( TrH BOX)Ni(NAd) (6). Investigation of 6 via single-crystal X-ray crystallography, NMR and EPR spectroscopies, and computations revealed a Ni(II)-iminyl radical formulation, similar to its dipyrrinato congener. Complex 4 exhibits enantioselective intramolecular C–H bond amination to afford N-heterocyclic products from 4-aryl-2-methyl-2-azidopentanes. Catalytic C–H amination occurs under mild conditions (5 mol % catalyst, 60 °C) and provides pyrrolidine products in decent yield (29%–87%) with moderate ee (up to 73%). Substrates with a 3,5-dialkyl substitution on the 4-aryl position maximized the observed enantioselectivity. Kinetic studies to probe the reaction mechanism were conducted using 1H and 19F NMR spectroscopies. A small, intermolecular kinetic isotope effect (1.35 ± 0.03) suggests an H-atom abstraction step with an asymmetric transition state while the reaction rate is measured to be first order in catalyst and zeroth order in substrate concentrations. Enantiospecific deuterium labeling studies show that the enantioselectivity is dictated by both the H-atom abstraction and radical recombination steps due to the comparable rate between radical rotation and C–N bond formation. Furthermore, the competing elements of the two-step reaction where H-removal from the pro-R configuration is preferred while the preferential radical capture occurs with the Si face of the carboradical likely lead to the diminished ee observed, as corroborated by theoretical calculations. Furthermore, based on these enantio-determining steps, catalytic enantioselective synthesis of 2,5-bis-tertiary pyrrolidines is demonstrated with good yield (50–78%) and moderate ee (up to 79%).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Ab Initio Calculations on the Ground and Excited Electronic States of Thorium–Ammonia, Thorium–Aza-Crown, and Thorium–Crown Ether Complexes

Positively charged metal–ammonia complexes are known to host peripheral, diffuse electrons around their molecular skeleton. The resulting neutral species form materials known as expanded or liquid metals. Alkali, alkaline earth, and transition metals have been investigated previously in experimental and theoretical studies of both the gas and condensed phase. This work is the first ab initio exploration of an f-block metal–ammonia complex. The ground and excited states are calculated for Th0–3+ complexes with ammonia, crown ethers, and aza-crown ethers. For Th3+ complexes, the one valence electron Th populates the metal’s 6d or 7f orbitals. For Th0–2+, the additional electrons prefer occupation of the outer s- and p-type orbitals of the complex, except Th(NH3)10, which uniquely places all four electrons in outer orbitals of the complex. Although thorium coordinates up to ten ammonia ligands, octa-coordinated complexes are more stable. Crown ether complexes have a similar electronic spectrum to ammonia complexes, but excitations of electrons in the outer orbitals of the complex are higher in energy. Aza-crown ethers disfavor the orbitals perpendicular to the crowns, attributed to the N-H bonds pointing along the plane of the crowns.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS2009

Paper to Electronic Questionnaires: Effects on Structured Questionnaire Forms

With the use of computers, paper questionnaires are being replaced by electronic questionnaires. The formats of traditional paper questionnaires have been found to effect a subject's rating. Consequently, the transition from paper to electronic format can subtly change results. The research presented begins to determine how electronic questionnaire formats change subjective ratings. For formats where subjects used a flow chart to arrive at their rating, starting at the worst and middle ratings of the flow charts were the most accurate but subjects took slightly more time to arrive at their answers. Except for the electronic paper format, starting at the worst rating was the most preferred. The paper and electronic paper versions had the worst accuracy. Therefore, for flowchart type of questionnaires, flowcharts should start at the worst rating and work their way up to better ratings.

Trujillo, Anna C.↗

DOE OSTI2020

Simulating the Trajectory and Biomass Growth of Free-Floating Macroalgal Cultivation Platforms along the U.S. West Coast

Trajectory tracking and macroalgal growth models were coupled to support a novel macroalgae-harvesting concept known as the Nautical Off-shore Macroalgal Autonomous Device (NOMAD). The NOMAD consists of 5 km long carbon-fiber longlines that are seeded and free float southward along the U.S. West Coast for approximately 3 months before harvesting off the California coast, taking advantage of favorable environmental conditions. The trajectory and macroalgal growth models were applied to answer planning questions pertinent to the techno-economic analysis such as identifying the preferred release location, approximate pathway, timing until harvest, and estimated growth. Trajectories were determined with the General NOAA Operational Modeling Environment (GNOME) model, using 11 years of current and wind data, determining probabilities by running nearly 40,000 Monte Carlo simulations varying the start time and location. An accompanying macroalgal growth model was used to estimate the growth of macroalgae based on the trajectory tracks and environmental forcing products, including light, temperature and nutrients. Model results show that NOMAD lines transit south in the months of April to September due to seasonal currents, taking approximately 3 months to reach Southern California. During transit, NOMAD lines are dispersed but typically avoid beaching or passing through marine sanctuaries. NOMAD lines can yield up to 30 kg wet weight per meter of cultivation line.

09 BIOMASS FUELS↗

DOE OSTI2023

Do people spend travel time the way they think they would? a comparative study of generic and trip-specific travel time allocation using hybrid multiple discrete continuous (MDC) framework

Unlike driving alone, public transportation allows one to engage in extraneous activities while traveling – often referred to as travel-based multitasking. Research involving travel-based multitasking often relies on either generic (i.e. not related to an actual trip) or revealed (i.e. related to an executed trip) data. The data collected for this study provided a unique opportunity to compare the generic and trip-specific preferences while traveling on public transportation. To this end, the study develops two integrated choice and latent variable models with multiple discrete-continuous (MDC) kernels to simultaneously model the activity selection and the time allocation for generic and trip-specific data, respectively. According to the results the trip-specific data could identify more nuances in the travel-based multitasking behavior than the generic data. Finally, the heterogeneity identified by the developed models will be helpful for the transit operators in providing appropriate facilities (e.g. internet access, reading lights) along various transit corridors.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS1992

Pulsatile instability in rapid directional solidification - Strongly-nonlinear analysis

In the rapid directional solidification of a dilute binary alloy, analysis reveals that, in addition to the cellular mode of Mullins and Sekerka (1964), there is an oscillatory instability. For the model analyzed by Merchant and Davis (1990), the preferred wavenumber is zero; the mode is one of pulsation. Two strongly nonlinear analyses are performed that describe this pulsatile mode. In the first case, nonequilibrium effects that alter solute rejection at the interface are taken asymptotically small. A nonlinear oscillator equation governs the position of the solid-liquid interface at leading order, and amplitude and phase evolution equations are derived for the uniformly pulsating interface. The analysis provides a uniform description of both subcritical and supercritical bifurcation and the transition between the two. In the second case, nonequilibrium effects that alter solute rejection are taken asymptotically large, and a different nonlinear oscillator equation governs the location of the interface to leading order. A similar analysis allows for the derivation of an amplitude evolution equation for the uniformly pulsating interface. In this case, the bifurcation is always supercritical. The results are used to make predictions about the characteristics of solute bands that would be frozen into the solid.

Merchant, G. J.↗

NASA NTRS1998

A Fast-Time Study of Aircraft Reordering in Arrival Sequencing and Scheduling

In order to ensure that the safe capacity of the terminal area is not exceeded, Air Traffic Management ATM often places restrictions on arriving flights transitioning from en route airspace to terminal airspace. This restriction of arrival traffic is commonly referred to as arrival flow management, and includes techniques such as metering, vectoring, fix-load balancing, and the imposition of miles-in-trail separations. These restrictions are enacted without regard for the relative priority which airlines may be placing on individual flights based on factors such as crew criticality, passenger connectivity, critical turn times, gate availability, on-time performance, fuel status, or runway preference. The development of new arrival flow management techniques which take into consideration priorities expressed by air carriers will likely reduce the economic impact of ATM restrictions on the airlines and lead to increased airline economic efficiency by allowing airlines to have greater control over their individual arrival banks of aircraft. NASA and the Federal Aviation Administration (FAA) have designed and developed a suite of software decision support tools (DSTs) collectively known as the Center TRACON Automation System (CTAS). One of these tools, the Traffic Management Advisor (TMA) is currently being used at the Fort Worth Air Route Traffic Control Center to perform arrival flow management of traffic into the Dallas/Fort Worth airport (DFW). The TMA is a time-based strategic planning tool that assists Traffic Management Coordinators (TMCs) and En Route Air Traffic Controllers in efficiently balancing arrival demand with airport capacity. The primary algorithm in the TMA is a real-time scheduler which generates efficient landing sequences and landing times for arrivals within about 200 no a. from touchdown. This scheduler will sequence aircraft so that they arrive in a first- come - first-served (FCFS) order. While FCFS sequencing establishes a fair order based on estimated times of arrival, it does not take into account individual airline priorities among incoming flights. NASA is exploring the possibility of allowing airlines to express relative arrival priorities to air traffic management through the development of new CTAS scheduling algorithms which take into consideration airline arrival preferences. The accommodation of airline priorities in arrival sequencing and scheduling would under most circumstances result in a deviation from a "natural" or FCFS arrival order. As a First step toward developing airline influenced sequencing algorithms, an investigation was conducted to determine the feasibility of reordering arrival traffic from a strict FCFS sequence. A fast-time simulation has been developed which allows statistical evaluation of sequencing and scheduling algorithms for arrival traffic at the Dallas/Fort Worth Airport. In contrast to real-time simulation or field tests, which would require on the order of ninety minutes to examine a single traffic rush period, the fast-time simulation allows examination of multiple rush periods in a matter of seconds.

Carr, Greg↗

NASA NTRS2003

JD 7: The Sun and the Heliosphere as an Integrated System

As knowledge of the Sun and the heliosphere grows, it is becoming not only possible but preferable to view the global structure, the interaction with the local interstellar medium, and changes over a solar cycle as the behavior of an integrated system. This consideration motivated Joint Discussion 7, which was meant both to summarize the state of art at the time of IAU XXVand to solicit interest in this kind of approach. The Joint Discussion was arranged in four sections, two on processes that, beginning from the Sun s interior, model and shape the heliosphere (From the Transition Region to the Corona and beyond and From the Sun to the interstellar Medium), one on elemental abundances and particles in the corona and the heliosphere (Energetic Particles, Energetic Neutral Atoms and Composition) and one on forthcoming solar and heliospheric space missions. In the following we give a brief summary of the contributions presented at the JD in each section. An ext.cnded discussion of the topics cov- ered by JD is expected to appear in a comprehensive book on the Sun and the Heliosphere which will be edited by us and printed by Kluwer in year 2004. Posters which were exhibited as part of the Joint Discussion are listed at the end of this summary.

Suess, Steven T.↗

DOE OSTI2023

Preference for a pressure-induced 3D structure after 1T-HfSe 2

Extensive crystal structure prediction searches provide evidence of two 3D structures with orthorhombic (Immm) and monoclinic (C2/m) space groups as reasonable candidates for the first pressure-induced phase of 1T-HfSe 2 . Our candidates are compared with two recent proposals that keep the 2D nature of the ambient conditions phase and display hexagonal (P6 3 /mmc) and monoclinic (C2/m) symmetry, although the latter has a different structure than our proposed C2/m phase. Both of these 2D-like structures are discarded based on simple thermodynamic and kinetic arguments that can be extended to explain the pressure-induced polymorphic sequence of other transition metal dichalcogenides. The computed observables of our orthorhombic phase are fully consistent with the experimental structural and Raman data observed at low and high-pressure.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Zinc–hydrogen and zinc–iridium pairs in β-Ga 2 O 3

Zinc-doped monoclinic gallium oxide (β-Ga 2 O 3 :Zn) has semi-insulating properties that could make it a preferred material as a substrate for power devices. In this work, infrared and UV/Visible spectroscopy were used to investigate the defect properties of bulk β-Ga 2 O 3 :Zn crystals. As-grown crystals contain a single O-H stretching mode at 3486.7 cm -1 due to a neutral ZnH complex. A deuterium-annealed sample displays the corresponding O-D stretching mode at 2582.9 cm -1 , confirming the O-H assignment. A strong Ir 4+ electronic transition at 5147.6 cm -1 is also observed, along with sidebands attributed to ZnIr pairs. These sidebands show distinct differences compared with Mg-doped samples; most importantly, several peaks are attributed to Ir 4+ paired with a Zn on the tetrahedral Ga(I) site. Annealing under an oxygen atmosphere produced insulating material with a resistance above 1 TΩ.

36 MATERIALS SCIENCE↗

DOE OSTI2026

NASA’s Pandora SmallSat Mission: Simulating the Impact of Stellar Photospheric Heterogeneity and Its Correction

Stellar photospheric heterogeneity is a dominant astrophysical systematic impacting exoplanet transmission spectroscopy. NASA’s Pandora SmallSat Mission is designed to address this challenge through contemporaneous visible-band photometry and near-infrared spectroscopy of exoplanet host stars. Here, we present an end-to-end simulation study quantifying Pandora’s ability to infer stellar photospheric properties and correct stellar contamination using out-of-transit observations. We construct eight representative stellar activity scenarios and generate 160 simulated Pandora datasets, incorporating time-dependent stellar spectra, instrument response, and noise. Given accurate models, Bayesian retrievals of joint visible photometry (0.4–0.7 μm) and near-infrared spectroscopy (0.9–1.6 μm, R ≈ 120) recover photospheric temperatures with typical uncertainties of ≈30 K, with no significant bias. Models with two spectral components (i.e., a quiescent photosphere and spots) are strongly favored in 95% of cases; one-component models are preferred when true spot filling factors fall below a detection threshold of ≈0.3%. We propagate the true and inferred stellar parameters to compute true, inferred, and residual contamination signals under physically motivated spot geometries. For simple spot distributions, contamination signals of 10 2 –10 3 ppm are reduced to ≲10 ppm—well below Pandora’s expected transmission spectroscopy precision (30–100 ppm). For more complex spot distributions, geometric degeneracies limit deterministic corrections, leaving residual contamination at the 10 3 ppm level that must be mitigated using additional constraints, such as spot-crossing events and joint stellar–planetary retrievals of transmission spectra. These results define regimes in which stellar contamination can be corrected from stellar observations alone and show how Pandora stellar observations can identify cases where additional information is required.

Astronomy and AstroPhysics↗