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NASA NTRSDate not supplied

Operating a Crewed Spacecraft in the Age of Commercial Space Using Private/Government Partnership

Fifty years after humans completed a large-scale United States government-funded and government-engineered effort of landing humans on the moon, human spaceflight has entered a new paradigm. Private companies are now investing their own money and taking on an ever-increasing role in human spaceflight, in partnership with the U.S. government. This paper will describe the development of one of these partnerships through the lens of its mission operations team. As part of the Commercial Crew Program (CCP), NASA selected Boeing’s CST-100 Starliner as one of the next generation of crewed vehicles. Boeing opted to partner with the US Government for their Starliner operations by contracting with NASA’s Mission Control teams in the Flight Operations Directorate (FOD) at the Johnson Space Center to create its own Mission Operations (MO) flight controllers. Partnering with FOD provided benefits to both Boeing and NASA while also creating new challenges. MO brought over 60 years of crewed spaceflight experience and infrastructure to Boeing’s new program. Within certain legal constraints, MO was able to work closely and efficiently with their FOD counterparts who were performing both integration duties and, under the auspices of the CCP, insight of the contractors, in this case Boeing. Involvement of NASA as the Boeing operations agent did lead to what management deemed a ‘healthy tension’ within FOD, challenging old processes and often creating better, more robust teamwork. Successful development of the framework and boundaries of both the legal aspects and the oversight tensions has been one of the keys to developing a successful corporate/government partnership. Due to the highly automated nature of the Starliner, the MO organization was designed to be much smaller than previous NASA’s flight control teams for past programs. NASA has learned through the decades that spacecraft design and operations need to be as flexible and forgiving as possible. NASA’s Commercial Crew Program was established to sponsor corporate development of economical vehicles that could get humans to and from low Earth orbit. These companies, of course, need to meet contractual obligations in providing a safe means of transporting astronauts to the International Space Station (ISS), but also need to do so in a manner that leads to the venture resulting in a profit at the same time. Through MO’s involvement in the development of this spaceflight paradigm shift, there are ample lessons to be conveyed to future teams and programs working to develop similar missions.

Robert C. Dempsey↗
NASA NTRSDate not supplied

Operating a Crewed Spacecraft in the Age of Commercial Space Using Private/Government Partnership

Fifty years after humans completed a large-scale United States government-funded and government-engineered effort of landing humans on the moon, human spaceflight has entered a new paradigm. Private companies are now investing their own money and taking on an ever-increasing role in human spaceflight, in partnership with the U.S. government. This paper will describe the development of one of these partnerships through the lens of its mission operations team. As part of the Commercial Crew Program (CCP), NASA selected Boeing’s CST-100 Starliner as one of the next generation of crewed vehicles. Boeing opted to partner with the US Government for their Starliner operations by contracting with NASA’s Mission Control teams in the Flight Operations Directorate (FOD) at the Johnson Space Center to create its own Mission Operations (MO) flight controllers. Partnering with FOD provided benefits to both Boeing and NASA while also creating new challenges. MO brought over 60 years of crewed spaceflight experience and infrastructure to Boeing’s new program. Within certain legal constraints, MO was able to work closely and efficiently with their FOD counterparts who were performing both integration duties and, under the auspices of the CCP, insight of the contractors, in this case Boeing. Involvement of NASA as the Boeing operations agent did lead to what management deemed a ‘healthy tension’ within FOD, challenging old processes and often creating better, more robust teamwork. Successful development of the framework and boundaries of both the legal aspects and the oversight tensions has been one of the keys to developing a successful corporate/government partnership. Due to the highly automated nature of the Starliner, the MO organization was designed to be much smaller than previous NASA’s flight control teams for past programs. NASA has learned through the decades that spacecraft design and operations need to be as flexible and forgiving as possible. NASA’s Commercial Crew Program was established to sponsor corporate development of economical vehicles that could get humans to and from low Earth orbit. These companies, of course, need to meet contractual obligations in providing a safe means of transporting astronauts to the International Space Station (ISS), but also need to do so in a manner that leads to the venture resulting in a profit at the same time. Through MO’s involvement in the development of this spaceflight paradigm shift, there are ample lessons to be conveyed to future teams and programs working to develop similar missions.

Robert C. Dempsey↗
NASA NTRSDate not supplied

Thermal Analysis of an In-Space Heat Shield Exposed to a Rocket Plume During Stage Separation

Thermal analyses were conducted to evaluate the thermal response of various individual materials and multi-layer configurations for an in-space heat shield exposed to a rocket plume during stage separation. Frequently used, readily available thermal protection materials consisting of cork, carbon cloth phenolic (CCP), and silica cloth phenolic (SCP) were selected for an initial screening analysis. SCP was chosen as the primary material for further evaluation using an updated thermal environment calculated using computational fluid dynamics (CFD) results. A multi-layer configuration consisting of SCP providing erosion resistance and a Nomex honeycomb providing thermal protection was then evaluated as a solution for more mass-efficient performance. Pyrolysis depth, bondline temperature, back-side temperature, and a thermal factor of safety were used to define the necessary material thickness profile. Adhesives were included in the analyses with considerations for maximum temperature and application method. One dimensional thermal analyses at several stations along the heat shield surface were performed for the initial screening and follow-on analyses. The methodology used standard processes and computer programs applicable to solid rocket motor internal insulation and nozzle thermal analysis such as Chemical Equilibrium and Applications (CEA), Aerotherm Chemical Equilibrium (ACE), Momentum/Energy Integral Technique (MEIT), and Insulation Thermal Response and Ablation Code (ITRAC). The baseline SCP/Nomex honeycomb multi-layer configuration thermal performance predictions satisfied the objectives with an acceptable mass estimate for the design maturity. The EA9673 film adhesive and SCP resin were the best performing bonding agents considered for the SCP/Nomex honeycomb and Nomex honeycomb/structural substrate interfaces. The baseline mass estimate was lowest when the resin was the bonding agent due to the higher maximum service temperature. These thermal analyses evaluated typical internal and external nozzle materials using a calculated thermal environment and heat loads that were lower than a typical rocket motor internal environment but greater than standard external aeroheating.

Andrew T Hiatt↗
DOE OSTI2023

Physical, Chemical, and Mineralogical Characterizations of MSWI Ash Product and Recommendations for Downstream Processing

The primary objectives of this project are to (1) systematically characterize MSWI ash, and (2) based on characterization findings, design preliminary flowsheets for downstream processing. To achieve these objectives, a total of ten tasks were completed, including sample collection, physical separation tests, liberation tests, synthetic MSWI ash preparation, elemental composition analysis, sequential chemical extraction, mineralogical characterization, pozzolanic activity characterization, thermal stability characterization, processing flowsheet design, TEA and T2M, and project performance reporting. Many useful findings and conclusions were obtained from the exhaustive efforts of this project from several different aspects, including: a) Valuable Metals in MSWI Ash: MSWI ash contains a diverse array of valuable metals. Based on potential recoverable values, the most valuable metals present in MSWI ash include Fe, Ti, Mn, Cu, Zn, V, Co, Ni, Sr, Sn, Ag, Mo, and Sc. Some of these metals have been identified as critical minerals by DOE and DOI, suggesting that MSWI is a promising feedstock for critical mineral recovery. Noticeable graphical and seasonable variations in the valuable metal content of MSWI ash were observed. Nevertheless, it was challenging to discern any clear, definitive patterns for conclusions from those observations. Compared with bottom ash, fly ash contains more volatile metals, such as Zn and Sn, but less nonvolatile metals, such as Fe, Mn, Cu, Zn, Co, and Ni. Mineralogical analyses showed that MSWI ash contains a substantial amount of calcium minerals, such as portlandite, lime, gypsum, and calcite. In addition, it was found that different types of valuable metals often exist in the same particles. b) Physical Separation of MSWI Ash: Both dry sieving and wet sieving were performed on MSWI ash. A notable disparity in the size distribution of the same material was observed when using the two different sieving methods. The disparity is due to the agglomeration of small particles. For the valuable metals investigated, no significant enrichment in a specific size fraction was observed, suggesting that it is challenging to preconcentrate the valuable metals through size fractionation. Due to the presence of ferromagnetic materials, such as Fe, most of the materials reported to the magnetic products obtained by dry magnetic separation. However, the enrichment effect is minimal due to the existence of particle agglomerates. Density separation at a cut-off density of 2.7 SG or higher led to noticeable enrichment of selected valuable metals, particularly Ti. The unburned carbon present in MSWI ash was effectively removed by flotation using diesel as the collector. A novel reagent scheme, Na2S plus cationic collectors, that can efficiently beneficiate nonferrous metals plus Co was developed. c) Liberation Tests: The particle size of MSWI ash was effectively reduced by grinding, and as a result, the encapsulated valuable metal particles (if any) were liberated to a certain degree. However, particle size reductions did not noticeably enhance the beneficiation performance using the physical separation methods, primarily due to the inefficiency of these methods in processing fine particles and/or a possibility that insufficient liberation is not a limiting factor for achieving satisfactory physical separation performance. Valuable metals were classified into water leachable, ion-exchangeable, acid soluble, reducible, oxidable, and insoluble forms. It was found that the distributions in the different categories, i.e., the occurrence modes of the valuable metals, were not affected by the particle size. d) Leaching Characteristics of Metals from MSWI Ash: Most of the valuable metals were extracted from the fly ash samples when using 1 M HCl or HNO3 as the lixiviant. The leaching reaction is a very fast process, which can reach equilibrium within the first 5 min. The releasing of Co, Ni and Ag are sensitive to leaching temperature, a higher recovery value could be obtained when using relatively higher leaching temperatures. The leachability of the valuable metals present in MSWI bottom ash is relatively lower than that of fly ash. Leaching recoveries increased with elevations in the acid concentration. Relatively high leaching recoveries were obtained for REEs, Mn, Co, Ni, Cu, and Zn using 1 M HCl or HNO3 as the lixiviant. Elevations in the reaction temperature noticeably increased the leachability of the valuable metals, whereas the leachability was barely influenced by oxidizing and reducing agents. Similar to fly ash, leaching valuable metals from bottom ash is a rapid process, with most of the leaching reaction completed within the first 5 minutes. e) Combusted iPhones: The original structure of iPhones was remained after treating at 400 ºC and 600 ºC, while after being treated at 800℃, the screen bent, and the back cover of iPhone melted. Increasing the combustion temperature to 1000℃, the screen scattered, and most of the components turned into ashes. Combustion enhanced the leachability of REEs, while the leachability of the other valuable metals, except for Zn, was barely affected. Most of the REEs present in the original iPhones occurred as oxidizable forms. With elevations in the combustion temperature up to 600 ºC, the oxidizable REEs were transformed to acid soluble forms. However, further elevations in temperature resulted in decreases in the acid soluble fraction and corresponding increases in the reducible and oxidizable forms. Additionally, combustion temperature also significantly altered the occurrence modes of other metals present in the iPhones. f) Synthetic MSWI Ash: It was found that in the absence of hydrogen peroxide, all the elements except for Si were leached to certain degrees. It is noteworthy that approximately 80% of Zn was leached with 1.2 M HCl. When hydrogen peroxide was added to the reaction system, noticeable increases in the leaching recovery of Fe, Mn, Co, Ni, and Cu were observed. The leaching recovery of Al and Si was barely affected by adding hydrogen peroxide. These results suggested that the majority of Zn in the synthetic MSWI ash existed as metal oxide, a portion of Fe, Mn, Co, Ni, and Cu existed as metal oxide, and Al and Si are associated with glasses which are difficult to leach. Additionally, the remaining Fe, Mn, Co, Ni, and Cu in the metallic form were efficiently oxidized in the presence of hydrogen peroxide. g) Pozzolanic Activity and Thermal Stability of MSWI Ash: MSWI fly ash has higher pozzolanic activity compared to the bottom ash sample, which indicates that the fly ash sample consumed more portlandite because of its smaller particle size as reactivity fundamentally relates to reaction surface area. However, after the recovery of valuable elements, the pozzolanic activity of both the valuable elements fraction and the less valuable elements-rich products decreased significantly, which means that the valuable elements recovery lowers the Ca(OH)2 consumption, thus leading to the low activity of SCM. h) Flowsheet Design for Metal Recovery from MSWI Ash: Based on the results of the comprehensive physical separation and acid leaching tests, circuits that enable the beneficiation of the valuable metals were developed. In these circuits, the valuable metals are recovered into nonferrous, ferrous, and other valuable metal concentrates, which are processed separately in the acid leaching step. The subsequent separation and purification steps are simplified due to the physical beneficiation step. In addition, the overall recovery cost is reduced since physical beneficiation is much cheaper compared with chemical processing. Using different technologies, such as selective precipitation and solvent extraction, a comprehensive hydrometallurgical circuit was designed, and compounds of Cu, Zn, Mn, Co, and Ni with a purity close to or even higher than 95% were successfully generated.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Flammability and Photo-Stability of Selected Polymer Systems

A systematic approach to the improvement of the flammability of epoxy resins, bisphenol-A polycarbonate poly(butylene terephthalate), and Nylon 6.6 by introducing halogens and loop functionality into the flame retardants is described. The phthalides (the loop functionality containing molecules) include 3,3-bis(4-bromophenyl)-phthalide, 3,3-bis(4-chlorophenyl)phthalide, and phenolphthalein. The phthalide containing epoxy resins are synthesized and characterized in comparison with the bisphenol-A epoxy resins in terms of flammability in the copolymer systems. The resins include diglycidyl ethers of phenolphthalein, bisphenol-A. tetrabromobisphenol-A, and tetraoromophenolphthalein. The vaporization of the phthalide additive in the polymers is observed in Thermal Gravimetric Analysis. The flame retardancy is primarily due to the presence of halogens. In the poly(butylene terephthalate) system, the cleavage of the C(sub aromatic) -B bond of the flame retardant additive enhances the crosslinking react ions between the aromatic rings resulting in an increase of char formation. In the epoxy resin systems, loop functionality contributes to char formation to a larger extent. The interaction between the epoxy resin and poly-(butylene terephthalate) follows the mechanism of insertion of the oxirane ring into the ester bond. This mechanism is studied by FT-IR. The investigation of the thermal properties of the char-forming phenol-formaldehyde resins is conducted to provide information for the systematic design of high temperature flame-resistant phenolics. NMR and FT-IR are used to characterize the oligomeric resins and the cured resins. The curing agents used in the study include formaldehyde, s-trioxane and terephthaloyl chloride. The brominated phenolic resins are found to have higher oxygen indices with lower char yields.

Lo, Jeelin↗
DOE OSTI2023

IACMI Project 4.7: Pultruded Textile Carbon Fiber for Spar Caps (Final Report)

The primary objective of this project was to demonstrate the potential to significantly reduce the cost of wind turbine blades with carbon fiber reinforced polymer (CFRP) structure. Applicability of textile carbon fibers (TCF) were evaluated for use in pultruded spar cap (SC) elements as a path to cost reduction for utility scale wind turbine blades. In earlier work for the Department of Energy (DOE) Wind Energy Technologies Office (WETO), a collaboration of Sandia National Laboratory (SNL), Oak Ridge National Laboratory (ORNL), and Montana State University has demonstrated potential for pultruded TCF to compete with infused fiberglass and commercially available carbon fiber pultruded sections for spar cap construction. In the design cases evaluated, the TCF sections fared well when compared on cost per unit composite stiffness and cost per unit composite compressive strength for those designs [1]. Both stiffness and compressive strength tend to be key factors in the design of blade composite Spar Cap which carry the bulk of the blade structural loads in bending. Spar Cap design tends to distribute largely symmetric tensile and compressive stresses to opposite sides of the spar structure, but since carbon fiber composite compressive strength is typically 20-50% lower than tensile strength, the compressive loading reaches failure levels well before the tensile loading. Stiffness is critical in containing the large tip deflection in high wind loading situations. However, materials and process development were very limited in the earlier study and the work in this project was expanded to make the comparative information more representative of what will be required in order to make further inroads towards implementation. Similar to that study, this project team confirmed that the primary materials of interest for pultruded spar cap elements should be thermoset (TS) resins reinforced by carbon fibers, utilizing as high a percentage of TCF as practical to benchmark cost and performance against commercial carbon fibers. To make the closest comparison possible and eliminate specific test article size, resin selection, and equipment/operational nuance effects, the team planned to pultrude sections with 100% commercially available carbon fiber (Panex 35 carbon fiber from Zoltek) as well as samples utilizing high fractions of TCF. The resin system chosen was based on formulations recommended by large wind industry supplier Hexion and consisted of Hexion resin RSL-4597, curing agent CCA-138, and internal mold release additive 117, along with common kaolin filler ASP400P from BASF. As commonly deployed in spar cap configurations, the team had a mold built to pultrude a rectangular spar cap element of 100mm width and 3mm thickness. The extremely limited number of samples produced for the earlier study were produced with a “generic” epoxy utilized for a variety of applications by the pultruder contracted to produce test articles for demonstration purposes. More importantly, those samples were produced at a fiber fraction only slightly over 50%. Based on feedback from our industrial advisory team for that project and strongly recommended by this project team, the consensus is that it is highly desirable to obtain fiber fractions of 65-68% for significant penetration in wind blade spar cap. Although this requirement has yet to be exhaustively confirmed in readily available information, this was established as a project goal and informally decided we needed to exceed 60% fiber fraction to gain serious industry consideration. Previous TCF pultrusion trials have been challenged by the lack of robust TCF packages, resulting in non-uniform tension across and between tows, as well as excess labor and waste for removal of interleaved paper. The non-uniform tension and associated intermingling of tows in textile acrylic fiber tows and associated difficulties created from broken filaments in carbon fiber conversion inhibit the ordered packing necessary to enhance fiber fraction elevation. (These “cross-overs” are not considered undesirable for textile applications and there is some sense that they might be advantageous for those applications). In addition to work that is ongoing at the acrylic fiber manufacturers to improve their formats, The Institute of Advanced Composites Manufacturing Innovation (IACMI) Project 6.12 (report PA16-0349-6.12-01) [2] has developed and demonstrated a more robust packaging and creeling approach that at least partially addresses these issues, thus improving control of the TCF feed into the pultrusion unit. It was hoped that these and other improvements currently being implemented would allow us to achieve fiber fractions at least approaching these fiber fraction targets. During this project, sections utilizing 100% commercially available carbon fiber reinforcement were produced as a baseline, as well as sections reinforced with about 94% TCF and the balance being commercially available fiber for comparison. The most important finding was that similar to results reported in the earlier WETO-funded project and results from tests of TCF reported at IACMI meetings, this work demonstrated that sections pultruded with TCF in an epoxy resin frequently utilized in actual spar cap production had stiffness and compressive strengths largely comparable to similar sections pultruded with a commercially available carbon fiber also frequently utilized in the wind industry. Although the amount of that data is limited, some of the tensile strength results were actually closer than would have been expected based on fiber strength results provided by the TCF and commercial fiber producers. The actual test data are reported and discussed in detail in Section 5. The pultruded sections dominated by TCF reinforcement were approximately 8-10% lower in fiber fraction than for the sections produced using commercial fiber alone, making direct comparison difficult. The COVID-19 project has provided significant insight into the current state-of-the-art with various TCF product forms. The data obtained in this project will guide the planned improvements at the precursor level, especially in attaining uniform tensioning and payout to facilitate enhanced fiber fractions and overall processability of the TCF composites. The project team is providing guidance to stakeholders concerning the attributes, needs, and potential demand for TCF in wind blade spar caps. Results achieved in this project are consistent with findings in the related work cited [1] and support this guidance and the high potential for this product type. TCF precursor-producing partners continue to express interest in enhancing their product forms and the team looks forward to working with these improved materials as they become available.

42 ENGINEERING↗
NASA NTRS2003

Using Diffusion Bonding in Making Piezoelectric Actuators

A technique for the fabrication of piezoelectric actuators that generate acceptably large forces and deflections at relatively low applied voltages involves the stacking and diffusion bonding of multiple thin piezoelectric layers coated with film electrodes. The present technique stands in contrast to an older technique in which the layers are bonded chemically, by use of urethane or epoxy agents. The older chemical-bonding technique entails several disadvantages, including the following: It is difficult to apply the bonding agents to the piezoelectric layers. It is difficult to position the layers accurately and without making mistakes. There is a problem of disposal of hazardous urethane and epoxy wastes. The urethane and epoxy agents are nonpiezoelectric materials. As such, they contribute to the thickness of a piezoelectric laminate without contributing to its performance; conversely, for a given total thickness, the performance of the laminate is below that of a unitary piezoelectric plate of the same thickness. The figure depicts some aspects of the fabrication of a laminated piezoelectric actuator by the present diffusion- bonding technique. First, stock sheets of the piezoelectric material are inspected and tested. Next, the hole pattern shown in the figure is punched into the sheets. Alternatively, if the piezoelectric material is not a polymer, then the holes are punched in thermoplastic films. Then both faces of each punched piezoelectric sheet or thermoplastic film are coated with a silver-ink electrode material by use of a silkscreen printer. The electrode and hole patterns are designed for minimal complexity and minimal waste of material. After a final electrical test, all the coated piezoelectric layers (or piezoelectric layers and coated thermoplastic films) are stacked in an alignment jig, which, in turn, is placed in a curved press for the diffusion-bonding process. In this process, the stack is pressed and heated at a specified curing temperature and pressure for a specified curing time. The pressure, temperature, and time depend on the piezoelectric material selected. At the end of the diffusion-bonding process, the resulting laminated piezoelectric actuator is tested to verify the adequacy of the mechanical output as a function of an applied DC voltage.

Sager, Frank E.↗
DOE OSTI2026

Using AI to Reproduce Neutrino Cross Section Analysis - Prototyping the Neutrino Discovery Platform

The Neutrino Discovery Platform (NDP) aims to accelerate DUNE-era science by making the neutrino program's existing datasets analyzable through fast, reproducible, and auditable workflows. We report a working version of two of its layers, data curation and agentic orchestration, built and tested end to end on MINERvA open data. The guiding lesson throughout is that a cross section is a measurement, and not just a plotted shape, only if it carries a defensible systematic-uncertainty budget, a trustworthy unfolding, and a reproducible record. Using a single medium-energy playlist pair from the MINERvA open-data release (about $2.05\times10^{17}$ protons on target of data), we first reproduced the shapes of two published charged-current inclusive $\nu_\mu$ measurements through a complete extraction ladder: selection, background subtraction, D'Agostini unfolding, efficiency correction, and flux normalization. These shape-level reproductions ran and tracked the published results, but they lacked the systematic-uncertainty machinery that defines a MINERvA cross section. To supply it, we vendored and built the MINERvA Analysis Toolkit and developed a many-universe systematic-uncertainty tool that produces a portable covariance artifact, a parallel event-loop runner, and a per-run auditability harness. Validated against a published covariance release, the toolchain reproduces the released statistical, flux, and muon-energy-scale terms and shows that they account for roughly 63\% of the total variance, with the remainder unreleased. Using this same infrastructure, we then performed a measurement of our own design, the hadronic recoil-energy distribution of low-energy ($E_\nu<2.5$~GeV) charged-current inclusive events, and found data/simulation shape agreement of $\chi^2/\mathrm{ndf}=1.26$. Together these results show that the platform supports original physics and not only reproductions.

Breaux, Auto [Tulane U. (main)]↗
DOE OSTI2026

Toward the Neutrino Discovery Platform: An Auditable, Uncertainty-Bearing Toolchain for MINERvA Open-Data Cross-Section Analysis

The Neutrino Discovery Platform (NDP) aims to accelerate DUNE-era science by making the neutrino program's existing datasets analyzable through fast, reproducible, and auditable workflows. We report a working version of two of its layers, data curation and agentic orchestration, built and tested end to end on MINERvA open data. The guiding lesson throughout is that a cross section is a measurement, and not just a plotted shape, only if it carries a defensible systematic-uncertainty budget, a trustworthy unfolding, and a reproducible record. Using a single medium-energy playlist pair from the MINERvA open-data release (about $2.05\times10^{17}$ protons on target of data), we first reproduced the shapes of two published charged-current inclusive $\nu_\mu$ measurements through a complete extraction ladder: selection, background subtraction, D'Agostini unfolding, efficiency correction, and flux normalization. These shape-level reproductions ran and tracked the published results, but they lacked the systematic-uncertainty machinery that defines a MINERvA cross section. To supply it, we vendored and built the MINERvA Analysis Toolkit and developed a many-universe systematic-uncertainty tool that produces a portable covariance artifact, a parallel event-loop runner, and a per-run auditability harness. Validated against a published covariance release, the toolchain reproduces the released statistical, flux, and muon-energy-scale terms and shows that they account for roughly 63\% of the total variance, with the remainder unreleased. Using this same infrastructure, we then performed a measurement of our own design, the hadronic recoil-energy distribution of low-energy ($E_\nu<2.5$~GeV) charged-current inclusive events, and found data/simulation shape agreement of $\chi^2/\mathrm{ndf}=1.26$. Together these results show that the platform supports original physics and not only reproductions.

Breaux, Auto [Tulane U. (main)]↗
NASA NTRSDate not supplied

Use of Design of Experiments and Rule-Based Inference in Determining Neural Network Architectures for Loss of Control Detection

In this work, we describe methods for selecting the neural network architectures and input spaces to implement belief state inference on generic commercial transport aircraft. First, we highlight a case study on the planning, execution, and analysis of a set of experiments to determine the configurations of a conditional variational autoencoder (CVAE). We present a structured method that can be used in a number of aerospace applications, to optimize the structure and training parameters of the CVAE for belief state inference, using Design of Experiments (DOE) statistical methodologies. The motivation for this specific DOE was to identify the appropriate hyperparameters for measuring the CVAE reconstruction probability and latent space, such that the measurements can be used to infer qualitative state changes for the aircraft. We demonstrate that this process yields information about a trained neural network’s utility for this specific application, along with a quantifiable range of certainty. We execute 84 experiments using loss-of-control flight maneuver data from a NASA T-2 aircraft, demonstrating that this empirical process allows us to construct cheap and simple models with specific attributes amenable to belief state inference in aerospace applications. While theoretically, we could create a single CVAE with an input space the size of all measurable flight variables and environmental dynamics, it becomes intractable to use such a neural network in an in-situ intelligent multi-agent system. Using the recommendations from our case study, we introduce a technical approach for feasibly describing the belief space by (1) identifying significant statistical relationships among flight variables using rule induction, (2) using a set of rules that cover all features to define the input space of multiple CVAEs, and (3) forming a belief space based on the joint probability density of their collective latent spaces. This results in a series of relatively small matrix multiplications that can be performed in real time, as opposed to large matrix computations in a single CVAE. We demonstrate the application of this approach on the T-2 flight loss-of control experiments, using the architecture and hyperparameter recommendations from the case study. We compare the utilities of an individual CVAE trained on all flight variables and multiple CVAEs defined on subsets of flight variables for detecting qualitative changes in flight. We demonstrate that the use of multiple CVAEs with smaller input spaces permits the CVAE to capture more granular relationships in the latent space, permitting better state space characterization and loss-of-control detection.

Design of experiments↗
DOE OSTI2022

Structure- and Interaction-Based Design of Anti-SARS-CoV-2 Aptamers

Aptamer selection against novel infections is a complicated and time-consuming approach. Synergy can be achieved by using computational methods together with experimental procedures. In this study, we aim to develop a reliable methodology for a rational aptamer in silico et vitro design. The new approach combines multiple steps: (1) Molecular design, based on screening in a DNA aptamer library and directed mutagenesis to fit the protein tertiary structure; (2) 3D molecular modeling of the target; (3) Molecular docking of an aptamer with the protein; (4) Molecular dynamics (MD) simulations of the complexes; (5) Quantum-mechanical (QM) evaluation of the interactions between aptamer and target with further analysis; (6) Experimental verification at each cycle for structure and binding affinity by using small-angle X-ray scattering, cytometry, and fluorescence polarization. By using a new iterative design procedure, structure- and interaction-based drug design (SIBDD), a highly specific aptamer to the receptor-binding domain of the SARS-CoV-2 spike protein, was developed and validated. The SIBDD approach enhances speed of the high-affinity aptamers development from scratch, using a target protein structure. The method could be used to improve existing aptamers for stronger binding. This approach brings to an advanced level the development of novel affinity probes, functional nucleic acids. It offers a blueprint for the straightforward design of targeting molecules for new pathogen agents and emerging variants.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

From natural language to control signals: a conceptual framework for semantic channel finding in complex experimental infrastructure

Modern experimental platforms such as particle accelerators, fusion devices, telescopes, and industrial process control systems expose tens to hundreds of thousands of control and diagnostic channels, accumulated over decades of hardware evolution. Operators and AI systems alike depend on informal expert knowledge, inconsistent naming conventions, and scattered documentation to locate the signals required for monitoring, troubleshooting, and automated control, creating a persistent bottleneck for reliability, scalability, and emerging language-model-driven interfaces. We formalize semantic channel finding, the task of mapping natural-language intent to concrete control-system signals, as a general problem in complex experimental infrastructure, and introduce a four-paradigm conceptual framework to guide architecture selection based on facility-specific data regimes. The paradigms span (i) direct in-context lookup over small, curated channel dictionaries, (ii) constrained hierarchical navigation through structured trees, (iii) interactive agent exploration using iterative reasoning and tool-based database queries, and (iv) ontology-grounded semantic search that decouples channel meaning from facility-specific naming conventions. We demonstrate the practical feasibility of each paradigm through proof-of-concept implementations at four operational facilities spanning two orders of magnitude in scale: from compact free-electron lasers to large synchrotron light sources, operating under diverse control-system architectures ranging from clean hierarchical naming schemes to legacy environments with decades of heterogeneous conventions. Where evaluated against expert-curated operational queries, these instantiations achieve 90%–97% accuracy, validating the framework’s applicability across real-world deployment scenarios. To accelerate adoption across the broader scientific and industrial control-system community, we release open-source, plug-and-play implementations of all three interactive paradigms-direct lookup, hierarchical navigation, and middle-layer exploration-within the Osprey framework, together with tools for channel database generation, interactive testing, and minimal-configuration deployment. This work establishes semantic channel finding as a foundational capability for human-centric and agentic AI interfaces at large-scale facilities, providing both a systematic framework for architecture design and practical resources to enable adoption without building custom infrastructure from scratch.

channel finding↗
DOE OSTI2021

Potent Antiviral Activity against HSV-1 and SARS-CoV-2 by Antimicrobial Peptoids

Viral infections, such as those caused by Herpes Simplex Virus-1 (HSV-1) and SARS-CoV-2, affect millions of people each year. However, there are few antiviral drugs that can effectively treat these infections. The standard approach in the development of antiviral drugs involves the identification of a unique viral target, followed by the design of an agent that addresses that target. Antimicrobial peptides (AMPs) represent a novel source of potential antiviral drugs. AMPs have been shown to inactivate numerous different enveloped viruses through the disruption of their viral envelopes. However, the clinical development of AMPs as antimicrobial therapeutics has been hampered by a number of factors, especially their enzymatically labile structure as peptides. We have examined the antiviral potential of peptoid mimics of AMPs (sequence-specific N-substituted glycine oligomers). These peptoids have the distinct advantage of being insensitive to proteases, and also exhibit increased bioavailability and stability. Our results demonstrate that several peptoids exhibit potent in vitro antiviral activity against both HSV-1 and SARS-CoV-2 when incubated prior to infection. In other words, they have a direct effect on the viral structure, which appears to render the viral particles non-infective. Visualization by cryo-EM shows viral envelope disruption similar to what has been observed with AMP activity against other viruses. Furthermore, we observed no cytotoxicity against primary cultures of oral epithelial cells. These results suggest a common or biomimetic mechanism, possibly due to the differences between the phospholipid head group makeup of viral envelopes and host cell membranes, thus underscoring the potential of this class of molecules as safe and effective broad-spectrum antiviral agents. We discuss how and why differing molecular features between 10 peptoid candidates may affect both antiviral activity and selectivity.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

X‐ray scattering reveals disordered linkers and dynamic interfaces in complexes and mechanisms for DNA double‐strand break repair impacting cell and cancer biology

Abstract Evolutionary selection ensures specificity and efficiency in dynamic metastable macromolecular machines that repair DNA damage without releasing toxic and mutagenic intermediates. Here we examine non‐homologous end joining (NHEJ) as the primary conserved DNA double‐strand break (DSB) repair process in human cells. NHEJ has exemplary key roles in networks determining the development, outcome of cancer treatments by DSB‐inducing agents, generation of antibody and T‐cell receptor diversity, and innate immune response for RNA viruses. We determine mechanistic insights into NHEJ structural biochemistry focusing upon advanced small angle X‐ray scattering (SAXS) results combined with X‐ray crystallography (MX) and cryo‐electron microscopy (cryo‐EM). SAXS coupled to atomic structures enables integrated structural biology for objective quantitative assessment of conformational ensembles and assemblies in solution, intra‐molecular distances, structural similarity, functional disorder, conformational switching, and flexibility. Importantly, NHEJ complexes in solution undergo larger allosteric transitions than seen in their cryo‐EM or MX structures. In the long‐range synaptic complex, X‐ray repair cross‐complementing 4 (XRCC4) plus XRCC4‐like‐factor (XLF) form a flexible bridge and linchpin for DNA ends bound to KU heterodimer (Ku70/80) and DNA‐PKcs (DNA‐dependent protein kinase catalytic subunit). Upon binding two DNA ends, auto‐phosphorylation opens DNA‐PKcs dimer licensing NHEJ via concerted conformational transformations of XLF‐XRCC4, XLF–Ku80, and LigIV BRCT –Ku70 interfaces. Integrated structures reveal multifunctional roles for disordered linkers and modular dynamic interfaces promoting DSB end processing and alignment into the short‐range complex for ligation by LigIV. Integrated findings define dynamic assemblies fundamental to designing separation‐of‐function mutants and allosteric inhibitors targeting conformational transitions in multifunctional complexes.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRSDate not supplied

LANDO: Developing Autonomous Payload Offloading Capabilities for Lunar Surface Operations

Introduction: The Lightweight Surface Manipulation System (LSMS) AutoNomy capabilities Development for surface Operations and construction (LANDO) project is an Early Career Initiative selected for funding by NASA Space Technology Mission Directorate. LANDO is developing a general-purpose autonomy framework applicable to serial and tension-actuated manipulation agents, that will be validated using an existing prototype of the LSMS-L35 (35-kg wrist lift capacity on the lunar surface [Fig. 1], sized for a Commercial Lunar Pay-load Services (CLPS) mission). The autonomous LSMS-L35 will be used to demonstrate autonomous payload handling capabilities for Lunar and other planetary surfaces, directly addressing STMD capability gaps in autonomous excavation and construction operations, advanced robotics and spacecraft autonomy technologies, and technologies supporting emerging space industries including the In-Space Servicing, Assembly and Manufacturing national strategy. LSMS: The LSMS is a tension actuated robotic agent that is scalable (reach and lifting capacity in different gravity environments), versatile (types of surface operations), and reusable. Compared to serial arms, the LSMS provides significantly higher structural efficiency and mechanical advantage, enabling a greater payload lift capacity at a lower system mass. The LSMS is envisioned to be a crucial part of the excavation and construction portfolio, capable of supporting a variety of activities on the lunar surface. Autonomous payload handling is one of the first activities the LSMS can support that develops capabilities that are extensible to other surface operations. Payload handling is required to: remove payloads from a lander; place payloads on mobile agents for transport from a lander to construction site/assembly point; emplace payloads in their operational configuration, and aggregate components to create an asset. As an example of this critical gap, manifested CLPS missions do not currently have a ubiquitous payload offloading capability; payloads (excluding rovers) are designed to remain on the lander. Why Autonomy? Autonomous robotic systems capable of carrying out excavation and construction operations are a fundamental and critical capability required for realizing the NASA Artemis program vision to “emplace and build the infrastructure, systems, and robotic missions that can enable a sustained lunar surface presence.” While teleoperation is still feasible for lunar surface operations, increased latency at Mars will require validated supervised autonomous technologies capable of operating with minimal human involvement (human-on-the-loop) unless an unexpected event occurs requiring human intervention. Autonomy reduces operator burden, allows operations to continue during uncrewed periods, in-creases the safety of operations by automatically detecting and handling faults, and allows operating in high latency environments. Development Activities: LANDO is extending critical autonomous operations to the manipulation domain and creating an integrated system, based on reusable software modules, that is capable of planning and executing payload handling and autonomous surface operations without requiring hu-man intervention beyond a supervisory role. The priority features under development are 1) autonomously offload payloads from a tilted lander deck without buckling the LSMS; 2) sensing whether a payload is safe to lift and handle; and 3) integrate with Astrobotic’s CLPS lander. The poster presentation will highlight current development activities over the past year on LSMS-L35 prototype hard-ware design, and autonomy software.

in-space assembly↗
DOE OSTI2020

Role of Capping Agents in the Synthesis of Salicylate-Capped Zinc Oxide Nanoparticles

Capping agents are often used for controlling the size, aggregation, and properties of nanoparticles. To guide the design of improved nanomaterials for targeted performance, one can use mechanistic insights into the interactions between capping agents and nanoparticles. Here, we employ density functional theory (DFT), reactive force-field molecular dynamics (ReaxFF MD) simulations, and optical spectroscopy to study the interactions between salicylate, as a model capping agent, and zinc oxide (ZnO) nanoparticles. In this work, we find that salicylate strongly interacts with the nanoparticle via the formation of O–Zn bonds in a distorted six-membered coordination ring structure. We describe the mechanisms of capping of ZnO nanoparticles by salicylate via three different binding modes. Simulations indicate that salicylate undergoes dissociative adsorption at the highly active surface Zn sites via a hydrogen-transfer process, thereby forming a tridentate configuration. The water-mediated interaction also facilitates the dissociative adsorption, leading to two salicylate O atoms coordinating with a surface Zn atom, while the other salicylate O atom bonds with another surface Zn atom. For molecular adsorption, binding free energies indicate that salicylate binds more strongly to ZnO, often in a bidentate configuration, than water does. The formation of the salicylate–ZnO complex is substantiated by UV–visible and Fourier transform infrared spectra. We find that the C=O stretching mode of salicylate becomes softened when it interacts with the nanoparticle, suggesting chemisorption of salicylate on ZnO. Although DFT predicts strong interaction between salicylate and ZnO, ReaxFF MD simulation indicates the moderate interaction between these two components in aqueous solution. Water molecules in close contact with the nanoparticle surface undergo dissociation, thus resulting in a surface hydroxyl, a reactive oxygen species that may influence the nanoparticle’s catalytic properties. Overall, the atomic-level information provided here can guide the selection process of salicylate as an appropriate agent for ZnO nanoparticle synthesis when strong interactions of particles with capping agents are required.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2017

Microbial Monitoring from the Frontlines to Space: Department of Defense Small Business Innovation Research Technology Aboard the International Space Station

The RAZOR (trademark) EX, a quantitative Polymerase Chain Reaction (qPCR) instrument, is a portable, ruggedized unit that was designed for the Department of Defense (DoD) with its reagent chemistries traceable to a Small Business Innovation Research (SBIR) contract beginning in 2002. The PCR instrument's primary function post 9/11 was to enable frontline soldiers and first responders to detect biological threat agents and bioterrorism activities in remote locations to include field environments. With its success for DoD, the instrument has also been employed by other governmental agencies including Department of Homeland Security (DHS). The RAZOR (Trademark) EX underwent stringent testing by the vendor, as well as through the DoD, and was certified in 2005. In addition, the RAZOR (trademark) EX passed DHS security sponsored Stakeholder Panel on Agent Detection Assays (SPADA) rigorous evaluation in 2011. The identification and quantitation of microbial pathogens is necessary both on the ground as well as during spaceflight to maintain the health of astronauts and to prevent biofouling of equipment. Currently, culture-based monitoring technology has been adequate for short-term spaceflight missions but may not be robust enough to meet the requirements for long-duration missions. During a NASA-sponsored workshop in 2011, it was determined that the more traditional culture-based method should be replaced or supplemented with more robust technologies. NASA scientists began investigating innovative molecular technologies for future space exploration and as a result, PCR was recommended. Shortly after, NASA sponsored market research in 2012 to identify and review current, commercial, cutting edge PCR technologies for potential applicability to spaceflight operations. Scientists identified and extensively evaluated three candidate technologies with the potential to function in microgravity. After a thorough voice-of-the-customer trade study and extensive functional and safety evaluations, the RAZOR (trademark) EX PCR instrument(Bio-Fire Defense, Salt Lake City, UT) was selected as the most promising current technology for spaceflight monitoring applications.

Cherie M Oubre↗
DOE OSTI2024

Achieving Unprecedented CO 2 Utilization InCO 2 Concrete™: System Design, Product Development and Process Demonstration

Anthropogenic sources of carbon dioxide are generated from a number of sources, but the key among these are ordinary Portland cement (OPC) production and combustion of fossil fuels. Cement production is the largest global CO 2 source from the mineral decomposition of carbonates. This is due to the clinkering process whereby limestone (mainly consisting of CaCO 3 ) is decomposed into CaO and CO 2 , and combined with silica rich clays at high temperatures to form clinkers (i.e. the four key minerals that comprise cement). The high temperature range of 1400 – 1550°C required for this process accounts for up to 60% of the generated CO 2 from cement production. Combination of the limestone decomposition and thermal requirements of the clinkering process causes cement production to contribute 8-9% of annual global CO 2 emissions. Combustion of fossil fuels (coal, oil and gas) was shown to contribute a much larger portion of global CO 2 emissions. As of 2018, combustion of fossil fuels accounted for 65% of global CO 2 , where 41% was derived from stationary sources for electricity and heat generation and the other 24% was related to transport. To reduce these contributions, key steps forward in CO 2 utilization technologies are required. Therefore, a CO 2 mineralization technology (CO 2 mineralization concrete) to reduce the OPC content in concrete, while utilizing flue gas emissions from fossil fuel combustion has been developed to address both areas simultaneously. This Reversa™ technology utilizes low-carbon cementation agents produced by in situ CO 2 mineralization (“mineral carbonation reactions”) to offer a promising alternative to OPC. CO 2 mineralization relies upon the reaction of dissolved CO 2 with inorganic alkaline reactants to precipitate mineral carbonates (e.g., CaCO 3 ), which bind proximate particles and achieve cementation. Herein, a concrete green body, which is composed of a mixture of binder, water, and mineral aggregates, is exposed to CO 2 borne in industrial flue gas streams. This manner of CO 2 mineralization allows the production of construction components that feature equivalent engineering attributes as their OPC-based counterparts while featuring a much smaller embodied carbon intensity (eCI). The purpose of this project is to demonstrate the feasibility of the Reversa process evolving from a TRL-3 technology at the bench-scale up to TRL-6 technology at the pilot-scale. The reliability of the Reversa technology was tested to prove the effective production of three standard industrial concrete products selected during the course of the project. The results detailed herein will demonstrate the evolution of this technology to the industrial scale. The culmination of this work resulted in 9 production runs completed at the National Carbon Capture Center (NCCC), Wilsonville, AL, using natural gas (NG) flue gas as the CO 2 source. Over the course of the production runs at NCCC, the CO 2 utilization as a function of time, 24-h CO 2 uptake, electricity usage, and 28-d net area compressive strength recorded for each run. Collection of this data will be used to determine the success of the demonstration goals: (1) achieving in excess of 0.2gCO 2 /g reactant , (2) achieving greater than 50% reduction in global warming potential compared to standard produced units, and (3) ensuring compliance of carbonated concrete with industry standard specifications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗