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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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At least 343 records · Page 19

Autonomous phase mapping of gold nanoparticles synthesis with differentiable models of spectral shape

Autonomous experimentation–or self-driving labs–offers a systematic approach to accelerate materials discovery by integrating automated synthesis, characterization, and data-driven decision-making. We present a closed-loop workflow for the on-demand synthesis and structural characterization of colloidal gold nanoparticles, enabling direct mapping from composition to nanoscale structure. Our framework leverages differentiable models of spectral shape to address two central tasks in self-driving labs: (a) phase mapping, or identifying compositional regions with distinct structural behavior; and (b) material retrosynthesis, or optimizing compositions for target structure. Using functional data analysis, we develop a data-driven model with generative pre-training, active learning, and high-throughput experiments to predict spectral responses across composition space. We demonstrate the approach on seed-mediated growth of gold nanoparticles, showcasing its ability to extract design rules, reveal secondary interactions, and efficiently navigate morphology space. Gradient-based optimization of the models enables inverse design, making this a unified platform.

36 MATERIALS SCIENCE↗

Octahedral rotations in Ruddlesden-Popper layered oxides under pressure from first principles

The combination of reduced dimensionality and tunable structural distortions in layered perovskite oxides makes these materials ideal platforms for designing novel properties and functionalities. One example is hybrid improper ferroelectricity in n = 2 Ruddlesden-Popper oxides, where the combination of a layered crystal structure and rotations of the metal-oxide octahedra break symmetry and induce a polarization. Precisely controlling the octahedral rotation distortions, for example by the application of hydrostatic pressure, provides a pathway to tune and optimize the properties of these materials. Here we combine group theoretic methods, density functional theory calculations, and Landau theory analysis to investigate how octahedral rotations respond to pressure in the hybrid improper ferroelectrics Sr 3 Zr 2 O 7 , Ca 3 Ti 2 O 7 , and Sr 3 Sn 2 O 7 . We find that factors that are known to control the pressure response of ABO 3 perovskites—the formal charge of the A- and B-site cations, tolerance factor, and B-site chemistry—also impact the pressure response of these layered perovskites. We also show that coupling between the octahedral rotation and strain order parameters plays a key role in determining the overall pressure response. Despite some similarities, we find that these layered perovskites display a distinct pressure response compared to their ABO 3 perovskite analogs. By identifying trends and underlying mechanisms that control octahedral rotations in Ruddlesden-Popper oxides under pressure, this work lays the foundation for tailoring the structure and properties of these materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The early-stage growth and reversibility of Li electrodeposition in Br-rich electrolytes

Significance Spatial variations in chemical composition and transport properties of the material phases (interphases) formed on reactive metals in liquid electrolytes are thought to be responsible for the propensity of metal battery electrodes to electrodeposit in irregular, nonplanar morphologies. Equilibrium theoretical calculations using joint density functional analysis in vacuum and generic liquid media indicate that in-plane transport at such interphases is enhanced substantially if LiX (X = Br > Cl > F) species predominate. This study employs optical visualization experiments and nucleation theory to experimentally investigate nucleation and early-stage growth dynamics of metallic lithium in electrolytes enriched with LiBr. It is shown that the Li-Br–rich interphases formed profoundly alter the morphology of Li electrodeposits by enhancing Li-ion surface diffusion.

25 ENERGY STORAGE↗

Long-range current-induced spin accumulation in chiral crystals

Abstract Chiral materials, similarly to human hands, have distinguishable right-handed and left-handed enantiomers which may behave differently in response to external stimuli. Here, we use for the first time an approach based on the density functional theory (DFT)+PAOFLOW calculations to quantitatively estimate the so-called collinear Rashba–Edelstein effect (REE) that generates spin accumulation parallel to charge current and can manifest as chirality-dependent charge-to-spin conversion in chiral crystals. Importantly, we reveal that the spin accumulation induced in the bulk by an electric current is intrinsically protected by the quasi-persistent spin helix arising from the crystal symmetries present in chiral systems with the Weyl spin–orbit coupling. In contrast to conventional REE, spin transport can be preserved over large distances, in agreement with the recent observations for some chiral materials. This allows, for example, the generation of spin currents from spin accumulation, opening novel routes for the design of solid-state spintronics devices.

Roy, Arunesh↗

Research pressure instrumentation for NASA Space Shuttle main engine, modification no. 5

The advantages of silicon piezoresistive strain sensing technology are being used to achieve the objectives of state of the art pressure sensors for SSME applications. The integration of multiple functions on a single chip is the key attribute being exploited. Progress is reported in transducer packaging and materials; silicon resistor characterization at cryogenic temperatures; chip mounting; and frequency response optimization.

Anderson, P. J.↗

Deformation and stress response of composite laminated shells under internal pressure

This paper presents a theoretical study of the response of filament wound composite shells under internal pressure. Each layer of the material is generally cylindrically anisotropic. By using cylindrically anisotropic elasticity field equations and Lekhnitskii's stress functions, a system of sixth-order ordinary differential equations is obtained. The general expressions for the stresses and displacements in the laminated composite shells under internal pressure are discussed. Two composite systems, graphite/epoxy and glass/epoxy, are selected to demonstrate the influence of degree of material anisotropy and fiber orientations on the axial and induced twisting deformation. Stress distributions of (45/-45)s symmetric angle-ply fiber-reinforced laminated shells are shown to illustrate the effect of radius-to-thickness ratio.

Yuan, F. G.↗

Aeolian Sand Transport in the Planetary Context: Respective Roles of Aerodynamic and Bed-Dilatancy Thresholds

The traditional view of aeolian sand transport generally estimates flux from the perspective of aerodynamic forces creating the airborne grain population, although it has been recognized that "reptation" causes a significant part of the total airborne flux; reptation involves both ballistic injection of grains into the air stream by the impact of saltating grains as well as the "nudging" of surface grains into a creeping motion. Whilst aerodynamic forces may initiate sand motion, it is proposed here that within a fully-matured grain cloud, flux is actually governed by two thresholds: an aerodynamic threshold, and a bed-dilatancy threshold. It is the latter which controls the reptation population, and its significance increases proportionally with transport energy. Because we only have experience with terrestrial sand transport, extrapolations of aeolian theory to Mars and Venus have adjusted only the aerodynamic factor, taking gravitational forces and atmospheric density as the prime variables in the aerodynamic equations, but neglecting reptation. The basis for our perspective on the importance of reptation and bed dilatancy is a set of experiments that were designed to simulate sand transport across the surface of a martian dune. Using a modified sporting crossbow in which a sand-impelling sabot replaced the bolt-firing mechanism, individual grains of sand were fired at loose sand targets with glancing angles typical of saltation impact; grains were projected at about 80 m/s to simulate velocities commensurate with those predicted for extreme martian aeolian conditions. The sabot impelling method permitted study of individual impacts without the masking effect of bed mobilization encountered in wind-tunnel studies. At these martian impact velocities, grains produced small craters formed by the ejection of several hundred grains from the bed. Unexpectedly, the craters were not elongated, despite glancing impact; the craters were very close to circular in planform. High-speed photography showed them to grow in both diameter and depth after the impactor had ricochetted from the crater site. The delayed response of the bed was "explosive" in nature, and created a miniature ejecta curtain spreading upward and outward for many centimeters for impact of 100-300 micron-diameter grains into similar material. Elastic energy deposited in the bed by the impacting grain creates a subsurface stress regime or "quasi-Boussinesq" compression field. Elastic recovery of the bed occurs by dilatancy; shear stresses suddenly convert the grains from closed to open packing, and grains are consequently able to eject themselves forcefully from the impact site. Random jostling of the grains causes radial homogenization of stress vectors and a resulting circular crater. There is a great temptation to draw parallels with cratering produced by meteorite impacts, but a rigorous search for common modelling ground between the two phenomena has not been conducted at this time. For every impact of an aerodynamically energized grain, there are several hundred grains ejected into the wind for the high-energy transport that might occur on Mars. Many of these grains will themselves become subject to the boundary layer's aerodynamic lift forces (their motion will not immediately die and add to the creep population), and these grains will become indistinguishable from those lifted entirely by aerodynamic forces. As each grain impacts the bed, it will eject even more grains into the flow. A cascading effect will take place, but because it must be finite in its growth, damping will occur as the number of grains set in motion causes mid-air collisions that prevent much of the impact energy from reaching the surface of the bed -thus creating a dynamic equilibrium in a high-density saltation cloud. It is apparent that for a given impact energy, the stress field permits a smaller volume of grains to convert to open packing as the size of the bed grains increases, or as the energy of the "percussive" grain decreases (by decrease in velocity or mass). Thus, the mass of the "repercussive" grain population that is ejected from the impact site becomes a function of the scale of the stress field in relation to the scale of the bed material (self-similarity being applicable if both bed size and energy are simultaneously adjusted). In other words, in a very high energy aeolian system where an aerodynamically raised grain can ballistically raise many more grains, the amount of material lifted into the wind becomes largely a function of a dilatancy threshold. If this threshold is exceeded, grains are repercussively injected into the saltation cloud. The "dilatancy threshold" may be defined in terms of the saltation percussive force required to convert the bed, through elastic response, from a closed to an open packing system. If open packing cannot be created, the grains cannot escape from the impact site, even though the elastic deformation and percussive force may be able to reorganize the grains with respect to one another. As the crossbow experiments showed, for an ever-increasing bed grain size, a point is reached when no material can be moved because the energy of the percussive grain is insufficient to dilate the relatively coarse bed. Although this seems to be stating the obvious -- that too little energy will not cause the bed to splash -- the consequences of exceeding the "splash threshold" by dilatancy are not so obvious for high-energy aeolian transport. It is noted that the force required to elastically dilate the bed has to overcome Coulombic grain attractions such as dipole-dipole coupling, dielectric, monopole, contact-induced dipole attractions, van der Waals forces, molecular monolayer capillary forces, as well as the mechanical interlocking frictional resistance of the grains. On Mars, it is predicted that the dilatancy threshold may be the prime control of grain flux. Additional information is contained in the original.

Marshall, J. R.↗

In Situ Synthesis of Molybdenum Carbide Nanoparticles Incorporated into Laser‐Patterned Nitrogen‐Doped Carbon for Room Temperature VOC Sensing

Abstract Carbon laser‐patterning (CLaP) is emerging as a new tool for the precise and selective synthesis of functional carbon‐based materials for on‐chip applications. The aim of this work is to demonstrate the applicability of laser‐patterned nitrogen‐doped carbon (LP‐NC) for resistive gas‐sensing applications. Films of pre‐carbonized organic nanoparticles on polyethylenetherephthalate are carbonized with a CO 2 ‐laser. Upon laser‐irradiation a compositional and morphological gradient in the films is generated with a carbon content of 92% near the top surface. The specific surface areas of the LP‐NC are increased by introducing sodium iodide (NaI) as a porogen. Electronic conductivity and surface area measurements corroborate the deeper penetration of the laser‐energy into the film in the presence of NaI. Furthermore, impregnation of LP‐NC with MoC 1− x (<10 nm) nanoparticles is achieved by addition of ammonium heptamolybdate into the precursor film. The resulting doping‐sensitive nano‐grain boundaries between p‐type carbon and metallic MoC 1− x lead to an improvement of the volatile organic compounds sensing response of Δ R / R 0 = −3.7% or −0.8% for 1250 ppm acetone or 900 ppm toluene at room temperature, respectively, which is competitive with carbon‐based sensor materials. Further advances in sensitivity and in situ functionalization are expected to make CLaP a useful method for printing selective sensor arrays.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Application of neural networks to prediction of advanced composite structures mechanical response and behavior

Two types of neural networks were used to evaluate acousto-ultrasonic (AU) data for material characterization and mechanical reponse prediction. The neural networks included a simple feedforward network (backpropagation) and a radial basis functions network. Comparisons of results in terms of accuracy and training time are given. Acousto-ultrasonic (AU) measurements were performed on a series of tensile specimens composed of eight laminated layers of continuous, SiC fiber reinforced Ti-15-3 matrix. The frequency spectrum was dominated by frequencies of longitudinal wave resonance through the thickness of the specimen at the sending transducer. The magnitude of the frequency spectrum of the AU signal was used for calculating a stress-wave factor based on integrating the spectral distribution function and used for comparison with neural networks results.

Cios, K. J.↗

Characterizing Orbital Debris and Spacecrafts Through a Multi-Analytical Approach

Defining the risks present to both crewed and robotic spacecrafts is part of NASA s mission, and is critical to keep these resources out of harms way. Characterizing orbital debris is an essential part of this mission. We present a proof-of-concept study that employs multiple techniques to demonstrate the efficacy of each approach. The targets of this study are IDCSPs (Initial Defense Communications Satellite Program). 35 of these satellites were launched by the US in the mid-1960s and were the first US communications satellites in the GEO regime. They were emplaced in slightly sub-synchronous orbits. These targets were chosen for this proof-of-concept study for the simplicity of their observable exterior surfaces. The satellites are 26-sided polygons (86cm in diameter), initially spin-stabilized and covered on all sides in solar panels. Data presented here include: (a) visible broadband photometry (Johnson B and Cousins R bands) taken with the University of Michigan s 0.6-m aperture Curtis-Schmidt telescope MODEST (for Michigan Orbital DEbris Survey Telescope) in Chile in November, 2011, (b) laboratory broadband photometry (Johnson BV Cousins RI) of solar cells, obtained using the Optical Measurements Center (OMC) at NASA/JSC (see Cowardin et al., this meeting for more details), (c) visible-band spectra taken using the Magellan 6.5m Baade Telescope at Las Campanas Observatory in Chile in March, 2012 (see also Seitzer et al., this meeting), and (d) visible-band laboratory spectra of solar cells using a Field Spectrometer. Color-color plots using broadband photometry (e.g. B-R vs. R-I) demonstrate that different material types fall into distinct areas on the plots (Cowardin, AMOS 2010). Spectra will be binned in wavelength to compare with photometry results and plotted on the same graph for comparison. This allows us to compare lab data with telescopic data, and photometric results with spectroscopic results. In addition, the spectral response of solar cells in the visible wavelength regime varies from relatively flat (modern black solar cells with uniform albedo as a function of wavelength) to older solar cells whose reflectivity is sharply peaked in the blue (similar to the IDCSP solar cells). With a target like IDCSPs, the material type is known a priori. Therefore, this study will also be used to determine whether laboratory spectra of pre-launch (pristine) solar cells differ from the telescopic spectra of IDCSPs that have been exposed to the harsh environment of space for ~45 years to investigate whether space weathering effects are evident.

Lederer, S. M.↗

Deep learning-enhanced design for functionally graded auxetic lattices

Auxetic materials with counterintuitive negative Poisson’s ratio have been of significant interest due to potential applications across diverse engineering fields. Functionally grading such auxetics further enables customization of the structural response and harnesses the potential for multi-functional applications. However, a critical challenge in designing functionally graded lattices is to efficiently determine the spatial variation of the functional gradient and the corresponding geometric designs to achieve the desired response. In this paper, a highly efficient deep learning-based inverse design framework for functionally graded tetra-petal auxetics with spatially tailored properties is presented. This framework significantly improves the efficiency of tailoring functionally graded auxetics where many unit cells need to be tailor-designed. The graded tetra-petal auxetics obtained from the inverse design framework are additively manufactured and subjected to impact tests. The results show superior impact performance compared with uniform designs, demonstrating the effectiveness of the proposed inverse design framework, which can be inspirable to promote advanced structures/materials with enhanced impact resistance.

42 ENGINEERING↗

Mesoscale Modeling Approach for Quantifying Microstructure-Aware Micromechanical Responses in Metal Hydrides

Metal hydrides can undergo significant volume changes upon hydrogen uptake and release, which induce a mechanical response that depends not only on the evolving hydrogen composition but also on the microstructure. We present a comprehensive mesoscale modeling framework based on microelasticity theory to quantify the micromechanical responses of metal hydrides, specifically focusing on a hydrogenating polycrystalline MgH 2x particle within a host material as a model micromechanical system. Utilizing digitally generated realistic microstructures and density-functional-theory-derived parameters, we analyzed highly nonuniform local stress profiles in the polycrystalline hydrides under the clamping force exerted by the host during hydrogenation. Our framework also allows us to predict the corresponding strain energy accumulation and mechanical hot spots formation in the hydrides, highlighting their roles in thermodynamic destabilization and mechanical failure, respectively. Through extensive parametric simulations, we further quantified the influence of interface type, crystallinity, grain size, loading ratio, and host stiffness, providing practical guidance for optimizing microstructural design and host material selection. This proposed approach is broadly applicable to micromechanical systems with complex microstructural features involving chemical reaction- and/or phase-transformation-induced deformation.

36 MATERIALS SCIENCE↗

Summary of Study Group Session Discussions

The relationship between gravitational physiology and calcium metabolism is examined. The role of gravity on the problems of bone response, low gravity environments, calcium in plants, and the potential in animal systems for alterations in nerve and muscle function as variations in extracellular calcium levels occurred are discussed. Innovative materials for experiments on interactions between calcium and gravity, experiments that could utilize ionospheres or calcium-measuring dyes, and specific gravity calcium experiments are also addressed.

Source record↗

Effects of engine emissions from high-speed civil transport aircraft: A two-dimensional modeling study, part 1

The AER two-dimensional chemistry-transport model is used to study the effect on stratospheric ozone (O3) from operations of supersonic and subsonic aircraft. The study is based on six emission scenarios provided to AER. The study showed that: (1) the O3 response is dominated by the portion of the emitted nitrogen compounds that is entrained in the stratosphere; (2) the entrainment is a sensitive function of the altitude at which the material is injected; (3) the O3 removal efficiency of the emitted material depends on the concentrations of trace gases in the background atmosphere; and (4) evaluation of the impact of fleet operations in the future atmosphere must take into account the expected changes in trace gas concentrations from other activities. Areas for model improvements in future studies are also discussed.

Ko, Malcolm K. W.↗

Improvements to pulsed phase locked loop strain monitor

A pulse phase locked loop system according to the present invention is described. A frequency generator such as a voltage controlled oscillator (VCO) generates an output signal and a reference signal having a frequency equal to that of the output signal. A transmitting gate gates the output frequency signal and this gated signal drives a transmitting transducer which transmits an acoustic wave through a material. A sample/hold samples a signal indicative of the transmitted wave which is received by a receiving transducer. Divide-by-n counters control these gating and sampling functions in response to the reference signal of the frequency generator. Specifically, the output signal is gated at a rate of F/h, wherein F is the frequency of the output signal and h is an integer; and the received signal is sampled at a delay of F/n wherein n is an integer.

Froggatt, Mark E.↗

Pulsed phase locked loop strain monitor

A pulse phase locked loop system according to the present invention is described. A frequency generator such as a voltage controlled oscillator (VCO) generates an output signal and a reference signal having a frequency equal to that of the output signal. A transmitting gate gates the output frequency signal and this gated signal drives a transmitting transducer which transmits an acoustic wave through a material. A sample/hold samples a signal indicative of the transmitted wave which is received by a receiving transducer. Divide-by-n counters control these gating and sampling functions in response to the reference signal of the frequency generator. Specifically, the output signal is gated at a rate of F/h, wherein F is the frequency of the output signal and h is an integer; and the received signal is sampled at a delay of F/n wherein n is an integer.

Froggatt, Mark E.↗

Reducing NPR 7120.5D to Practice: Preparing for a Life-Cycle Review

In March 2007, NASA issued revised rules for space flight project management, NPR 7120.5D, 'NASA Space Flight Program and Project Management Requirements.' Central to the new rules was the construct of Key Decision Points, maturity gates that the project team must pass in order to continue development. In order that the KDP decision be fully informed, the NPR required, as entrance criteria for the gate, the generation and delivery of specified planning, technical, and cost/schedule documents (gate products) and a life-cycle review, the Preliminary Design Review. Building on JPL experience on the Prometheus and Juno projects, the team successfully organized for and conducted these reviews on an aggressive schedule. Key actions were taken to proactively interact with the SRB, produce high-quality gate products with stakeholder review, generate review presentation materials, and handle a myriad of supporting logistical functions. A review preparation team was established, including a Review Captain and leads for documentation, information systems, and logistics, and their roles, responsibilities and task assignments were identified. Aids were produced, including a detailed review preparation schedule and a comprehensive gate products production table. Institutional support was leveraged early and often. Implementation strategy reflected the needs of a nationally-distributed team, as well as applicable export control and IT security requirements. This paper gives a brief overview of the GRAIL mission and its project management challenges, provides a detailed description of project PMSR and PDR preparation and execution activities, including positive and negative lessons learned, and identifies recommendations for future NASA (and non-NASA) project teams.

NPR 7120.5D↗

Arcjet Testing and Thermal Model Development for Multilayer Felt Reusable Surface Insulation

Felt Reusable Surface Insulation was used extensively on leeward external surfaces of the Shuttle Orbiter, where the material is reusable for temperatures up to 670 K. For application on leeward surfaces of the Orion Multi-Purpose Crew Vehicle, where predicted temperatures reach 1620 K, the material functions as a pyrolyzing conformal ablator. An arcjet test series was conducted to assess the performance of multilayer Felt Reusable Surface Insulation at high temperatures, and a thermal-response, pyrolysis, and ablation model was developed. Model predictions compare favorably with the arcjet test data

Milos, Frank S.↗