A Bayesian method for selecting data points for thermodynamic modeling of off-stoichiometric metal oxides
A novel Bayesian approach significantly accelerates data collection for metal oxide reduction/re-oxidation thermodynamic fitting.
Chemistry↗
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Results for “Material Selection”
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.
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Agentic workflow enables the recovery of critical materials from complex feedstocks via selective precipitation
We present a multi-agentic workflow for critical materials recovery that deploys a series of AI agents and automated instruments to recover critical materials from produced water and magnet leachates. This approach achieves selective precipitation from real-world feedstocks using simple chemicals, accelerating the development of efficient, adaptable, and scalable separations to a timeline of days, rather than months and years.
Ritchhart, Andrew J.↗
Material Flammability at Lunar and Martian Gravity
Explore the source record for details and available documents.
Material Selection↗
Auto-oxidation of redox electrodes for the selective recovery of platinum group metals
Redox-electrodes are designed to selectively bind platinum group metals by auto-oxidation, and release them electrochemically. The platform can efficiently recover PGMs from catalytic converter leachates, and contribute to energy-efficient technologies for materials recycling.
Chemistry↗
A High Temperature Cyclic Oxidation Data Base for Selected Materials Tested at NASA Glenn Research Center
The cyclic oxidation test results for some 1000 high temperature commercial and experimental alloys have been collected in an EXCEL database. This database represents over thirty years of research at NASA Glenn Research Center in Cleveland, Ohio. The data is in the form of a series of runs of specific weight change versus time values for a set of samples tested at a given temperature, cycle time, and exposure time. Included on each run is a set of embedded plots of the critical data. The nature of the data is discussed along with analysis of the cyclic oxidation process. In addition examples are given as to how a set of results can be analyzed. The data is assembled on a read-only compact disk which is available on request from Materials Durability Branch, NASA Glenn Research Center, Cleveland, Ohio.
Scale Spalling Models↗
Selectivity mechanisms of ion intercalation in Prussian blue analogs
Prussian blue analogs (PBAs) are a family of materials with facile, reversible, and selective ion transport capability for various ions via electrochemical intercalation, owing to their vacancy structure. The large tunable compositional space of PBAs allows for manipulation of intercalation behavior and selectivity by controlling structural vacancy level through choice of transition metal centers and modifications to the synthesis process. However, a lack of understanding of the mechanisms of ion selectivity hinders the material’s design process. Here, for this work, we investigated the origins of ion selectivity using a model PBA, copper hexacyanoferrate, and focused on eight technologically and biologically prominent ions, for which we determined a sequence of selectivity: Rb + > K + > Na + > Ba 2+ > Sr 2+ ≈ Ca 2+ > Mg 2+ > Li + . We provide electrochemical, structural, and redox evidence of strong correlation between the ion identity, the dominant charge-compensating redox, and preferred occupancy site. Specifically, using synchrotron anomalous X-ray diffraction (AXRD), we reveal that monovalent ions exhibit significant association with the corner sites of the unit cell and iron redox, whereas divalent ions display affinity toward the center site with higher ratios of copper redox. Informed by selectivity results, we applied CuHCFe to Li purification and achieved 99.9% purity. Our findings demonstrate an approach to elucidating ion intercalation behavior in order to distinguish and manipulate material properties to optimize separation performance.
Prussian blue analog↗
Scalable slot-die coating of phyllosilicate membranes for selective ion separations
Abstract Two-dimensional (2D) materials have recently drawn attention as candidate materials for molecular-scale membrane separations due to their tunable nanoscale interlayer properties. Phyllosilicates, a broad class of naturally abundant 2D clay minerals, offer significant advantages over synthetic 2D materials, including low cost, stability, and environmental compatibility. While these properties make phyllosilicates attractive for industrial-scale nanofiltration applications, phyllosilicate-based membranes have, to date, only been fabricated at the lab scale via vacuum filtration. Scalable fabrication methods are essential to advance the technical maturity of phyllosilicate membranes and bring these promising materials closer to large-scale adoption. Herein, we have successfully scaled up phyllosilicate (vermiculite) membrane fabrication via slot-die coating and roll-to-roll coating of an ethylenediamine–vermiculite (EDAVM) mixture onto nylon. The coated membranes are 1–2 μm $ \unicode{x03BC} \mathrm{m} $ mu m in thickness and exhibit similar structure and performance to vacuum-filtered EDAVM membranes. The membranes also show selectivity for monovalent ions over multivalent ions in binary salt mixtures. This work represents a major step toward scaling up phyllosilicate membranes for industrial ion separation applications such as resource recovery from water.
Booth, Austin [Princeton University]↗
Microstructure prediction for Ti-22Al-25Nb in laser powder bed fusion
This work presents a physics-informed framework for predicting solidification morphology and defect susceptibility in additively manufactured Ti–22Al–25Nb across a broad processing space. The framework integrates solidification microstructure selection (SMS) analysis with a single-track defect-based printability map to establish a unified methodology linking processing parameters to both interfacial morphology and manufacturability. Thermal gradients G and solidification rates R are first computed using the Thermo-Calc Additive Manufacturing (TC-AM) module, a finite-interface-dissipation (FID) phase-field (PF) model coupled with CALPHAD method is then employed to systematically distinguish planar and dendritic regimes as functions of $G$ and $R$. By superimposing the printability map onto the morphology projections, a comprehensive process–structure framework is obtained. Across most processing conditions, the predicted microstructure is predominantly dendritic, while planar growth emerges only under selected laser power $P$ and scan speed $v$ combinations. In addition to morphology classification, the framework quantifies the dendritic area fraction and introduces a width-based morphology descriptor to characterize the spatial extent of planar/dendritic regions within the melt pool. It provides mechanistic insight into the interplay between solidification physics and defect formation, offering practical guidance for parameter selection and microstructural control in Ti–22Al–25Nb additive manufacturing (AM).
36 MATERIALS SCIENCE↗
Computational simulation of asymmetric phase transformation in cracked Li₇La₃Zr₂O₁₂: Variant selection and chemo-mechanical implications
Coupling between microcracks and phase transformation in ion-conducting ceramics can jointly affect mechanical responses and ion transport. In this work we investigate the cubic-to-tetragonal phase transformation in Li₇La₃Zr₂O₁₂ in the presence of a microcrack under hydrostatic loading and quantify its implications for crack-tip stress concentration and Li-ion transport using phase-field and molecular dynamics simulations. The phase transformation exhibits a strong asymmetry between hydrostatic tension and compression. Under tension, the crack edge nucleates one tetragonal variant that amplifies the crack-tip stress intensity and promotes crack opening. Under compression, the crack tip nucleates a different tetragonal variant that enhances the stress-induced crack-closure tendency. Effective Li diffusivity analysis shows faster transport degradation under compression due to accelerated transformation kinetics, exposing a trade-off between mechanical stability and ionic conductivity. These results highlight the intertwined nature of cracking, phase transformation, and ionic transport in ion-conducting oxides and provide mechanistic insights into chemo-mechanical degradation of solid electrolytes.
36 MATERIALS SCIENCE↗
Impacts of Reduced Pressure Atmospheres on Environmental Control and Life Support Systems (ECLSS) Architectures
The study found that while nine subsystems are viable without modification at 10.2 psia, only three remain acceptable at 8.2 psia. Material flammability presents the most critical hurdle in the 8.2 psia/34-40% O 2 environment, where 70% of the assessed subsystems will require material replacements, many of which have yet to be developed. Ultimately, adapting ISS heritage hardware to these exploration conditions will introduce varied mass, power (e.g., increased fan speeds), and significant schedule impacts driven by the need for extensive testing, redesign, and recertification. The report concludes with specific recommendations for targeted analysis and testing to quantify these impacts and guide necessary design modifications.
Environmental Control and Life Support Systems↗
Influential Factors for Liquid Acquisition Device Screen Selection for Cryogenic Propulsion Systems
This paper presents the influential factors which govern screen selection for liquid acquisition devices (LADs) operating in microgravity conditions for future in-space cryogenic propulsion engines and cryogenic propellant depots. Space flight requirements, which include mass flow rate, acceleration level and direction, and thermal environment, dictate screen selection for a particular mission. The five influential factors include bubble point pressure, flow-through-screen pressure drop, wicking rate, screen compliance, and material compatibility. Governing equations and analytical models for these parameters are developed from first principles. A comprehensive survey of the historical data on coarser LAD meshes over four decades of work is conducted, and liquid hydrogen data for finer Dutch Twill meshes (325 x 2300, 450 x 2750, 510 x 3600) from recently concluded experiments is also presented to validate analytical models. Each of these parameters is measurable from ground based tests, making it facile to predict flight system performance. Therefore analytical models in this paper will be valuable for future LAD designs for both cryogenic and storable propulsion systems. Additionally, analysis will be given on the impact of the factors on liquid hydrogen systems.
Fuel Depot↗
Tuning the Mechanical Properties of Crosslinked Copolymers via Sequence and Solvent‐Selective Swelling for Vat Photopolymerization
Block copolymers (BCPs) offer distinct advantages for vat photopolymerization by enabling mechanically programmable network structures through microphase-separated morphologies that can be kinetically trapped during curing, yielding properties unattainable in homogeneous resins. However, the respective roles of repeat-unit sequence and solvent environment, together with their interplay in directing network formation and mechanical performance, remain unclear. Here, we synthesize a series of CO 2 -based polycarbonate copolymers comprising a crosslinkable glassy poly(vinyl cyclohexene carbonate) (PVCHC, A block) and a non-crosslinkable soft poly(propylene carbonate) (PPC, B block). The polymer sequence is systematically varied (ABA, BAB, and statistical), and solvent choice controls block-selective swelling to jointly control gelation behavior, microphase morphology, and mechanical response through changes in the accessibility and local environment of photocrosslinkable vinyl groups during network formation, as revealed by photorheology and small angle x-ray scattering. By tuning polymer sequence and curing solvent, we transform nominally identical formulations from brittle to highly ductile materials, achieving a three-orders-of-magnitude range in toughness (0.003 to 9.1 MJ m −3 ). These results establish clear structure–processing–property relationships and identify polymer sequence and selective solvation as powerful strategies for programming both printability and performance of block copolymer resins for additive manufacturing.
additive manufacturing↗
Selecting an Encapsulant for an Aerospace Superconducting Machine
Achieving larger benefits from electrified propulsion in single aisle aircraft (the largest commercial aircraft market segment) necessitates that a significant fraction of their 20 MW or greater propulsion system be electrified. These aircraft would require up to 10-20 of today’s state-of-the art machines, which have been demonstrated up to 2.5 MW for aerospace use, and could benefit further from 5 MW+ designs. However, when conventionally cooled, high power density machines still produce a significant amount of waste heat, translating into heavy thermal management and detracting from system benefits. Highly efficient fully superconducting electric machines (or those with a cryogenically cooled, high purity copper or aluminum stator) are a possible solution but have multiple barriers to overcome. One such barrier is the durability of superconducting windings. Superconductors are typically brittle, and encapsulants used to hold windings in place are a significant source of stress due to mismatches in coefficient of thermally induced contraction between ambient and operational temperatures (20 to 77 K). Lack of compliance between the materials at operational temperatures also adds significant stress. These encapsulants also form a thermal barrier that can be detrimental to cooling the superconductors. This work describes an initial study of commercially available encapsulants as it relates to superconducting machine applications, along with initial modeling of thermal stress in superconducting windings for a superconducting or cryogenically cooled stator in a 5 MW electric machine.
encapsulant↗
Broadening solid ionic conductor selection for sustainable and earth-abundant solid-state lithium metal batteries
We propose a universal solid electrolyte design that broadens the selection of ceramic LICs for solid-state lithium metal batteries, without requirements of electronic insulation or (electro)chemical stability.
Chemistry↗
Selective solid-state isolation of NMR circuit elements using back-to-back field effect transistors
Nuclear Magnetic Resonance (NMR) electronics that employ selective solid-state isolation of circuit elements can include solid-state switches, such as back-to-back Field Effect Transistor (FET) pairs, and isolated gate drive electronics adapted to operate the solid-state switches in order to selectively decouple induction coils from receive electronics. The solid-state switches can be placed in series to achieve higher standoff voltages, and can be configured for low on resistance and short switching times. The gate drive electronics can include electrical isolation components adapted to enhance standoff voltages and reduce electrical noise at the selectively isolated receive electronics.
Walsh, David O.↗
Hund's coupling governed orbital-selective superconductivity in Ba 1−𝑥 K 𝑥 Fe 2 As 2
Understanding how strong electronic correlations shape superconductivity remains a central challenge in quantum materials. In multiorbital systems, correlations driven by Hund's coupling can differentiate the behavior of individual orbitals, producing the so-called Hund's metal state. How such orbital-selectivity also governs superconducting pairing, however, has remained largely unexplored experimentally. Here, in this study, we use high-resolution angle-resolved photoemission spectroscopy to systematically map the superconducting gap structure across the phase diagram of the representative iron-based superconductor Ba 1−x K x Fe 2 As 2 . We find that superconductivity evolves in a strongly orbital-dependent manner: the gap associated with the d xy orbital collapses beyond optimal doping while pairing on the d xz /d yz orbitals persists. This behavior mirrors the orbital-selective correlations observed in the normal state and reveals a direct connection between Hund's metal physics and the superconducting pairing landscape. Our results demonstrate that superconducting gaps themselves can serve as a sensitive probe of orbital-dependent correlations and suggest that Hund's coupling plays a central role in shaping pairing in multiorbital superconductors.
Corbae, Elena [SLAC National Accelerator Laborator↗
Battery selection for space experiments
This paper will delineate the criteria required for the selection of batteries as a power source for space experiments. Four basic types of batteries will be explored, lead acid, silver zinc, alkaline manganese and nickel cadmium. A detailed description of the lead acid and silver zinc cells while a brief exploration of the alkaline manganese and nickel cadmium will be given. The factors involved in battery selection such as packaging, energy density, discharge voltage regulation, and cost will be thoroughly examined. The pros and cons of each battery type will be explored. Actual laboratory test data acquired for the lead acid and silver zinc cell will be discussed. This data will include discharging under various temperature conditions, after three months of storage and with different types of loads. A description of the required maintenance for each type of battery will be investigated. The lifetime and number of charge/discharge cycles will be discussed.
Francisco, David R.↗
Heterobimetallic Iridium-Niobia Catalyst for Efficient and Selective Methane Ammonia Reforming
A Surface OrganoMetallic Chemistry (SOMC) approach, leveraging a molecularly defined heterobimetallic niobium–iridium complex, was used to prepare a mesoporous SBA-15 silica-supported Ir-NbOx catalyst. The resulting Ir-NbOx/SiO2 catalyst exhibited excellent catalytic performance in selective methane/ammonia reforming. Specifically, the Ir-NbOx/SiO2 catalyst showed significantly higher activity (turnover frequency 8.5 s–1), selectivity (75%), and stability than the Ir/SiO2 analog, whereas the NbOx/SiO2 counterpart was almost inactive. This contrasts with ethane/ammonia reforming via C–C cleavage, for which the bimetallic Ir-NbOx/SiO2 was less active than Ir/SiO2, demonstrating tuned selectivity toward C–H activation rather than C–C cleavage due to the Ir/NbOx synergy. Importantly, an Ir-NbOx/SiO2 reference catalyst, prepared by conventional impregnation/calcination/reduction steps, was found to be inactive, highlighting the value of the SOMC catalyst preparation approach using well-defined heterobimetallic precursors. These results represent a significant advance over existing catalysts due to the atomic-scale synergy between Ir and NbOx sites, enabling access to activity and selectivity regimes inaccessible to monometallic analogs.
Wu, Jiachun↗