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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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131 records · Page 4

Defect-induced displacement of topological surface state in quantum magnet MnBi2Te4

The topological magnet MnBi2⁢Te4 (MBT), with gapped topological surface state, is an attractive platform for realizing quantum anomalous Hall and axion insulator states. However, the experimentally observed surface state gaps fail to meet theoretical predictions, although the exact mechanism behind the gap suppression has been debated. Recent theoretical studies suggest that intrinsic antisite defects push the topological surface state away from the MBT surface, closing its gap and making it less accessible to scanning probe experiments. Here, we report on the local effect of defects on the MBT surface states and demonstrate that high defect concentrations lead to a displacement of the surface states well into the MBT crystal, validating the theorized mechanism. The local and global influence of antisite defects on the topological surface states are studied with samples of varying defect densities by combining scanning tunneling microscopy, angle-resolved photoemission spectroscopy, and density functional theory. Our findings identify a combination of increased defect density and reduced defect spacing as the primary factors underlying the displacement of the surface states and suppression of surface gap, guiding further development of topological quantum materials.

Lupke, Felix [Carnegie Mellon University (CMU)]

Effect of Preparation Conditions of Fe@SiO2 Catalyst on Its Structure Using High-Pressure Activity Studies in a 3D-Printed SS Microreactor

Fischer–Tropsch synthesis (FTS) in a 3D-printed stainless steel (SS) microchannel microreactor was investigated using Fe@SiO2 catalysts. The catalysts were prepared by two different techniques: one pot (OP) and autoclave (AC). The mesoporous structure of the two catalysts, Fe@SiO2 (OP) and Fe@SiO2 (AC), ensured a large contact area between the reactants and the catalyst. They were characterized by N2 physisorption, H2 temperature-programmed reduction (H2-TPR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), X-ray photoelectron microscopy (XPS), and thermogravimetric analysis–differential scanning calorimetry (TGA-DSC) techniques. The AC catalyst had a clear core–shell structure and showed a much greater surface area than that prepared by the OP method. The activities of the catalysts in terms of FTS were studied in the 200–350 °C temperature range at 20-bar pressure with a H2/CO molar ratio of 2:1. The Fe@SiO2 (AC) catalyst showed higher selectivity and higher CO conversion to olefins than Fe@SiO2 (OP). Stability studies of both catalysts were carried out for 30 h at 320 °C at 20 bar with a feed gas molar ratio of 2:1. The Fe@SiO2 (AC) catalyst showed higher stability and yielded consistent CO conversion compared to the Fe@SiO2 (OP) catalyst.

Biochemistry & Molecular Biology

Update on Radiochemical Assessment of High Burnup Commercially Irradiated Fuel

This work documents an effort to collect burnup measurements on a high burnup rod, designated 6XV, and first cycle accident tolerant fuel (ATF) rod, designated 47I, to enable benchmarking of fuel performance codes and neutronics codes. In addition to measurements, Virtual Environment for Reactor Applications (VERA) full-core-depletion analysis was also performed for the rods that were experimentally analyzed to provide an opportunity for code validation. This effort focuses on collecting data from rods irradiated at Byron Generating Station and shipped to the Oak Ridge National Laboratory (ORNL) hot-cells. This data will also anchor non-destructive examination evaluations of burnup of the various fuel rods undergoing postirradiation examination (PIE) at ORNL. Previous PIE of these fuel rods provides some guidance on the burnup trend across the fuel. Axial gamma spectroscopy scans provide a measure of relative changes in burnup across a fuel pin. Mass spectrometry based burnup measurements performed for this work at specific axial locations in the fuel are fully quantitative. By combining the mass spectrometry data with the gamma scans it is possible to more quantitatively evaluate axial variations in burnup across the entire fuel pin [1]. The combined set of burnup evaluations will be made available to other organizations that have an interest in high burnup radiochemistry data for validation of neutronic simulations and source term evaluation such as the Nuclear Regulatory Commission (NRC).

Harp, Jason [Oak Ridge National Laboratory (ORNL),

Polymer grafted aramid nanofiber reinforces immiscible waste polypropylene/poly(ethylene terephthalate)

Polypropylene (PP) and poly(ethylene terephthalate) (PET) are plastics commonly used for packaging because of their excellent barrier and mechanical properties. The properties of these plastics are often diminished after mechanical recycling, inevitably causing down-cycling. Furthermore, this problem is exacerbated when different kinds of polymers mix. Aramid nanofibers have the potential to improve the mechanical properties of polymers due to their excellent mechanical properties but their poor dispersion in polymers is a challenge. Grafting polymers onto nanofibers can help address this challenge. In this work, different loading levels (1%, 2%, and 5%) of polymer grafted aramid nanofibers (ANFs) are blended with waste PP/PET (90/10), simulating a PP waste stream containing traces of PET contaminants. Scanning electronic microscopy, rheology, and differential scanning calorimetry results show the affinity of PP functionalized aramid nanofibers (PP_ANF) towards the PP matrix. At 1 wt% of the nanofiber, the size of the PET droplets in the PP matrix of the PP_ANF blend range from 0.2 to 2.0 μm while that of unmodified ANF and PET_ANF blends are in the range of 0.1–6.2 and 0.5–7.4 μm, respectively. In summary, polymer grafted ANFs have the tendency of improving properties of its like polymers due to similarity in the grafting polymer and the polymer matrix.

36 MATERIALS SCIENCE

Optimizing Porous Transport Layer Porosity for Proton Exchange Membrane Water Electrolysis

An empirical model is presented that describes anode-side losses related to porous transport layer (PTL) morphology in proton exchange membrane water electrolysis (PEMWE). The model is based on an advanced voltage breakdown analysis that links various overpotentials to PTL morphology. Custom Ti PTLs, spanning uncommonly low porosities (22 - 31%), were fabricated and analyzed with X-ray CT to obtain pore and particle size distributions. Particle size distributions were consistent across samples with an average particle diameter of 12.0?..mu..m, whereas average pore diameters ranged from 6.0 to 7.0?..mu..m. The PTLs were tested in standard PEMWE cell assemblies with anode catalyst loadings of 0.1 mgIr cm-2 to obtain polarization curves, electrochemical impedance spectra, and augmented Tafel analysis. The PTL-dependent anode side losses were deconvoluted and assigned to excess utilization, concentration, ion transport resistance, and electrical contact resistance overpotentials. The data and model reveal an optimal 20 - 28% PTL porosity region where utilization and contact resistance overpotentials are minimized without triggering concentration and ion transport losses related to water deprivation. The optimal PTL porosity depends on the operating current density and is demonstrated at realistic PEMWE water flow rates to establish PTL design guidance for operation at scale.

08 HYDROGEN

Evidence for Multiple Diagenetic Episodes in Ancient Fluvial‐Lacustrine Sedimentary Rocks in Gale Crater, Mars

The Curiosity rover's exploration of rocks and soils in Gale crater has provided diverse geochemical and mineralogical data sets, underscoring the complex geological history of the region. We report the crystalline, clay mineral, and amorphous phase distributions of four Gale crater rocks from an 80‐m stratigraphic interval. The mineralogy of the four samples is strongly influenced by aqueous alteration processes, including variations in water chemistries, redox, pH, and temperature. Localized hydrothermal events are evidenced by gray hematite and maturation of amorphous SiO 2 to opal‐CT. Low‐temperature diagenetic events are associated with fluctuating lake levels, evaporative events, and ground water infiltration. Among all mudstones analyzed in Gale crater, the diversity in diagenetic processes is primarily captured by the mineralogy and X‐ray amorphous chemistry of the drilled rocks. Variations indicate a transition from magnetite to hematite and an increase in matrix‐associated sulfates suggesting intensifying influence from oxic, diagenetic fluids up section. Furthermore, diagenetic fluid pathways are shown to be strongly affected by unconformities and sedimentary transitions, as evidenced by the intensity of alteration inferred from the mineralogy of sediments sampled adjacent to stratigraphic contacts.

C N Achilles

In-Space Laser Forming Simulated Under Thermal Vacuum (TVAC) Conditions

NASA Marshall Space Flight Center is investigating laser forming under thermal vacuum conditions representative of the space environment through a partnership with the DARPA NOM4D program. The thermal gradient mechanism (TGM) is used to bend a metal sheet towards the laser optics. Laser equipment and process parameters are being optimized for thermal vacuum conditions. Such conditions are representative of the extreme cold and hot temperatures and high vacuum that exist on orbit or on the lunar surface. in situ photogrammetry and thermography assess the bend/counterbend and elucidate the TGM in thermal vacuum. Structured light scanning and metallography after bending reveal the macroscopic and microscopic structure after TGM.

thermal vacuum

A Design Solution to the Spacecraft Look-Angle Problem

As the state of the art of the design of spacecraft has progressed, one of the difficult problems which has arisen is the positioning and articulating of spacecraft elements which must “see” in different directions without interference. Some of these elements are: solar panels or collectors, Sun sensors, communication antennas, star seekers, planet tracking and scanning devices, rocket motors, attitude-control jets, and scientific instruments. This Report presents a method of testing a spacecraft design to determine how well it satisfies these look-angle requirements. This method is applied to both simple and complex cases, and examples of its use are presented. A means of assessing spacecraft constraints on trajectories is discussed. The method was developed for the Mariner interplanetary spacecraft, but should be applicable to other cases.

MARINER PROGRAM

3D Printing of Polyelectrolyte Complex-Integrated Photocurable Hydrogel Resins

In this study, we developed a photocurable hydrogel resin incorporating a polyelectrolyte complex (PEC) for 3D printing. Acrylamide-based monomers were formulated with varying PEC contents (0–15 wt %) in an aqueous KBr medium to fabricate patterned porous hydrogel structures. The morphology of printed hydrogels was characterized by field-emission scanning electron microscopy and energy-dispersive X-ray spectroscopy. Notably, the PEC5 and PEC10 formulations exhibited optimal thermal stability and compressive properties, attributed to the homogeneous distribution of PEC domains within the hydrogel matrix. Furthermore, dye adsorption experiments demonstrated excellent removal efficiency, highlighting the potential of PEC-containing hydrogels for environmental remediation applications, particularly in the treatment of dye-contaminated wastewater.

Yang, Jinchul [University of Tennesse Knoxville]

Methodology of Atomic Force Microscopy Visualization of Electrode–Electrolyte Interfaces

Electrochemical atomic force microscopy (EC-AFM) provides unprecedented insights into the microstructure of electrode–electrolyte interfaces during electrochemical reactions. However, performing EC-AFM measurements has many challenges, for example, drift, contamination, and probe degradation. We present solutions to these experimental issues through electrochemical cell design and carefully chosen experimental parameters. The possibility that the probes can react with the interface during scanning, generating false-positive electrochemical dynamics, is discussed as an example of the challenge of high-fidelity EC-AFM measurement. Here, we demonstrate this effect in highly ordered pyrolytic graphite and show that we could use electrochemical control of the AFM probe to enable high-fidelity in situ AFM visualization of solid–liquid interfaces during electrochemical reactions.

Electrochemical cells

Monte Carlo modeling of atomic oxygen attack of polymers with protective coatings on LDEF

Characterization of the behavior of atomic oxygen interaction with materials on the Long Duration Exposure Facility (LDEF) will assist in understanding the mechanisms involved, and will lead to improved reliability in predicting in-space durability of materials based on ground laboratory testing. A computational simulation of atomic oxygen interaction with protected polymers was developed using Monte Carlo techniques. Through the use of assumed mechanistic behavior of atomic oxygen and results of both ground laboratory and LDEF data, a predictive Monte Carlo model was developed which simulates the oxidation processes that occur on polymers with applied protective coatings that have defects. The use of high atomic oxygen fluence-directed ram LDEF results has enabled mechanistic implications to be made by adjusting Monte Carlo modeling assumptions to match observed results based on scanning electron microscopy. Modeling assumptions, implications, and predictions are presented, along with comparison of observed ground laboratory and LDEF results.

Bruce A. Banks

A Predictive Bubble Point Pressure Model for Porous Liquid Acquisition Device Screens

This article presents a simplified model for porous screen channel liquid acquisition devices based on a maximum bubble point pressure method from Adamson and Gast (1997). To validate the model, three 304 stainless steel (325 × 2300, 450 × 2750, and 510 × 3600) mesh samples were tested in methanol, acetone, isopropyl alcohol, and water. Screen pores are estimated based on analysis from scanning electron microscopy, historical data, and current test data. Results show that the bubble point pressure is proportional to the surface tension of the fluid only when accounting for nonzero contact angles. The previous assumption that bubble point pressure scales inversely with effective pore diameter is shown to be invalid, as the second finest 450 × 2750 produced the highest bubble point of the three screens. The simplified bubble point model can be used to make predictions for any pure fluid when pore diameters are based on bubble point tests and not SEM analysis.

Liquid Acquisition Device

X-ray tomography of damage dynamics in advanced materials using a laser wakefield accelerator

Additively manufactured (AM) metals offer the potential for customizable, cost-effective components, but qualification and certification are crucial. Key to this process is understanding pore dynamics under stress, typically analyzed using micro-computed tomography. This study introduces laboratory-scale “betatron” x-rays from laser wakefield acceleration as a high-throughput alternative for x-ray tomography of advanced materials, such as AM AlSi10Mg alloys. Coupled with 3D finite element modeling, this method provides detailed insights into stress-porosity interactions. The approach delivers high-resolution scans, revealing that pore shape and local triaxiality significantly influence fracture dynamics, supporting advanced material characterization. This work also demonstrates the potential and versatility of laser-betatron x-ray μCT for generating large datasets to accelerate our understanding of the stochastic, process-specific nature of pore formation in AM alloys.

Senthilkumaran, Vigneshvar

Detailed examination of LDEF's frame and the A0178 thermal blankets by the meteoroid and debris special investigations group

A responsibility of the group is to define the hypervelocity particle environment encountered by LDEF during its stay in low Earth orbit. LDEF's 6061-T6 aluminum frame and the 'Teflon silver-inconel paint' thermal blankets represent large surface areas that were widely distributed around the spacecraft. The results are reported of high resolution scans of approx. 0.36 and approx. 0.31 sq m for the intercostals and thermal blankets, respectively. The findings are in qualitative agreement with existing model predictions that suggest high differential bombardment histories for surfaces pointing into specific directions relative to the velocity vector of a non-spinning platform in LEO. The production rate for craters greater than or = 50 microns in diameter in aluminum and penetration holes greater than or = 100 microns in diameter in thin foil materials differ by more than a factor of 10 between forward and rearward facing surfaces. These are substantial differences that must be considered during the design of future long duration space platforms in LEO.

Thomas H. See

Preliminary Plan for A Shuttle Coherent Atmospheric Lidar Experiment (SCALE)

A study has been completed to define a Shuttle experiment that solves the most crucial scientific and engineering problems involved in building a satellite Doppler wind profiler for making global wind measurements. The study includes: (1) a laser study to determine the feasibility of using the existing NOAA Windvan laser in the Space Shuttle spacecraft; (2) a preliminary optics and telescope design; (3) an accommodations study including power, weight, thermal, and control system requirements; and (4) a flight trajectory and operations plan designed to accomplish the required scientific and engineering goals. The experiment will provide much-needed data on the global distribution of atmospheric aerosols and demonstrate the technique of making wind measurements from space, including scanning the laser beam and interpreting the data. Engineering accomplishments will include space qualification of the laser, development of signal processing and lag angle compensation hardware and software, and telescope and optics design. All of the results of this limited Spacelab experiment will be directly applicable to a complete satellite wind profiler for the Earth Observation System/Space Station or other free-flying satellite.

D Fitzjarrald

3D Printing ofThermally Responsive Shape Memory LiquidCrystalline Epoxy Networks

Abstract A two-component liquid crystalline epoxy network (LCEN) with shape memory behavior was developed and evaluated as a candidate material for 3D printing. The cure kinetics of the uncured material and the shape memory properties of the cured LCEN were investigated by using parallel plate rheology and dynamic mechanical analysis, respectively. A commercially available fumed silica additive was introduced to the neat, uncured material to improve the rheological properties for 3D printing. The addition of fumed silica was found to increase the yield stress, shear-thinning behavior, and toughness of the uncured epoxy ink. Polarized light microscopy, differential scanning calorimetry, and wide-angle X-ray scattering measurements between the neat and additive-modified LCEN suggested a reduction in liquid crystalline alignment in the modified LCEN, owing to interactions between crystalline domains and fumed silica, which in turn influenced the mechanical behavior. Overall, the additive was found to be successful in preserving the shape memory properties of LCEN while improving its printability.

Chemistry

Thermal Cycling and Isothermal Deformation Response of Polycrystalline NiTi: Simulations vs. Experiment

A recent microstructure-based FEM model that couples crystal-based plasticity, the B2<-> MB190 phase transformation and anisotropic elasticity at the grain scale is calibrated to recent data for polycrystalline NiTi (49.9 at.% Ni). Inputs include anisotropic elastic properties, texture and differential scanning calorimetry data, as well as a subset of recent isothermal deformation and load-biased thermal cycling data. The model is assessed against additional experimental data. Several experimental trends are captured - in particular, the transformation strain during thermal cycling monotonically increases and reaches a peak with increasing bias stress. This is achieved, in part, by modifying the martensite hardening matrix proposed by Patoor et al. [Patoor E, Eberhardt A, Berveiller M. J Phys IV 1996;6:277]. Some experimental trends are underestimated - in particular, the ratcheting of macrostrain during thermal cycling. This may reflect a model limitation that transformation-plasticity coupling is captured on a coarse (grain) scale but not on a fine (martensitic plate) scale.

Phase Transformations

Limited proteolysis of pea protein to promote aggregation/gelation: role of enzyme concentration and molecular characteristics

Limited proteolysis promotes aggregation/gelation of plant proteins, but its relationship with the molecular characteristics of hydrolysates remains poorly understood. In here, response surface methodology was employed to evaluate the effects of protein concentration, Alcalase level, and hydrolysis time on the storage modulus (G′) of pea protein hydrolysates (PPH). 7.5% protein, 1.65% Alcalase, and a 6-min reaction time resulted in the highest relative increase in G′ upon heating PPH, whereas both higher (3.55%) and lower (0.3%) Alcalase levels led to less increment. Increasing the Alcalase level increased the degree of hydrolysis while decreasing the molecular weight, surface hydrophobicity, and total sulfhydryl and disulfide bond contents of PPH. Confocal laser scanning microscopy and X-ray scattering analyses found PPH produced with 1.65% Alcalase formed interconnected aggregates with dual structural domains, but not at other Alcalase conditions. These results demonstrate the role of controlled proteolysis in governing the aggregation/gelation behavior of PPH.

X-ray scattering