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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

From atomistic models to machine learning: Predictive design of nanocarbons under extreme conditions

The formation of technologically valuable nanocarbon structures under extreme conditions, such as those produced during high-explosive detonations, remains poorly understood but holds significant potential for the development of controlled synthesis pathways. While detonation shockwaves provide the high-pressure, high-temperature environment required for nanodiamond formation, subsequent cooling and decompression dictate whether the diamond phase is preserved or transformed into other nanocarbon structures. Here, in this study, we employ GPU-accelerated reactive molecular dynamics (ReaxFF) simulations to investigate the graphitization and structural remodeling of detonation nanodiamond under nonlinear quench and pressure-release trajectories. We further investigate how the initial nanodiamond morphology; cuboctahedral, octahedral, or hexagonal prism influences the resulting transformation products. Evolution of nanostructure, allotrope (via simulated x-ray diffraction), carbon hybridization, and ring statistics are tracked during a two-stage quench from 5000 K to 60 GPa. Rapid cooling combined with slow decompression optimizes cubic diamond retention, whereas slow cooling with rapid pressure release promotes surface-to-core graphitization, producing concentric sp 2 -hybridized layers and hollowed inner shells. Octahedral nanodiamonds evolve into carbon nano-onions, initially forming bucky diamonds that progressively transform into fully sp 2 -hybridized structures, while hexagonal prisms preferentially form parallel-stacked graphite layers resembling carbon dots. Transient hexagonal diamond (lonsdaleite) emerges as an interfacial phase, suggesting potential reversibility in the shock-induced graphite-to-diamond transformation pathway transformation route. To extend predictive capabilities, we trained machine learning (ML) regressors on over 10 5 node-hours of molecular dynamics (MD) trajectories. A multilayer perceptron (MLP) model reliably predicts the number of graphitized layers from temperature–pressure trajectories with a coefficient of determination (R 2 ) exceeding 0.90. This high predictive fidelity enables efficient, high-throughput mapping of the synthesis parameter space for optimized graphitization outcomes. Collectively, morphological control combined with optimized quench–decompression conditions promote the selective synthesis of nanocarbon allotropes. This work establishes a data-driven framework for the rational, a priori design of carbon nanomaterials for applications in energy storage, sensing, and biomedicine.

Detonation nanodiamond remodeling↗
NASA NTRS1995

Global stratigraphy of Venus: Analysis of a random sample of thirty-six test areas

The age relations between 36 impact craters with dark paraboloids and other geologic units and structures at these localities have been studied through photogeologic analysis of Magellan SAR images of the surface of Venus. Geologic settings in all 36 sites, about 1000 x 1000 km each, could be characterized using only 10 different terrain units and six types of structures. Mapping of such units and structures in 36 randomly distributed large regions shows evidence for a distinctive regional and global stratigraphic and geologic sequence. On the basis of this sequence we have developed a model that illustrates several major themes in the history of Venus. Most of the history of Venus (that of its first 80% or so) is not preserved in the surface geomorphological record. The major deformation associated with tessera formation in the period sometime between 0.5-1.0 b.y. ago (Ivanov and Basilevsky, 1993) is the earliest event detected. Our stratigraphic analyses suggest that following tessera formation, extensive volcanic flooding resurfaced at least 85% of the planet in the form of the presently-ridged and fractured plains. Several lines of evidence favor a high flux in the post-tessera period but we have no independent evidence for the absolute duration of ridged plains emplacement. During this time, the net state of stress in the lithosphere apparently changed from extensional to compressional, first in the form of extensive ridge belt development, followed by the formation of extensive wrinkle ridges on the flow units. Subsequently, there occurred local emplacement of smooth and lobate plains units which are presently essentially undeformed. The major events in the latest 10% of the presently preserved history of Venus are continued rifting and some associated volcanism, and the redistribution of eolian material largely derived from impact crater deposits. Detailed geologic mapping and stratigraphic synthesis are necessary to test this sequence and to address many of the outstanding problems raised by this analysis.

Basilevsky, Alexander T.↗
NASA NTRS2019

Planetary Rover Simulation for Lunar Exploration Missions

When planning planetary rover missions it is useful to develop intuition and skills driving in, quite literally, alien environments before incurring the cost of reaching said locales. Simulators make it possible to operate in environments that have the physical characteristics of target locations without the expense and overhead of extensive physical tests. To that end, NASA Ames and Open Robotics collaborated on a Lunar rover driving simulator based on the open source Gazebo simulation platform and leveraging ROS (Robotic Operating System) components. The simulator was integrated with research and mission software for rover driving, system monitoring, and science instrument simulation to constitute an end-to-end Lunar mission simulation capability. Although we expect our simulator to be applicable to arbitrary Lunar regions, we designed to a reference mission of prospecting in polar regions. The harsh lighting and low illumination angles at the Lunar poles combine with the unique reflectance properties of Lunar regolith to present a challenging visual environment for both human and computer perception. Our simulator placed an emphasis on high fidelity visual simulation in order to produce synthetic imagery suitable for evaluating human rover drivers with navigation tasks, as well as providing test data for computer vision software development.In this paper, we describe the software used to construct the simulated Lunar environment and the components of the driving simulation. Our synthetic terrain generation software artificially increases the resolution of Lunar digital elevation maps by fractal synthesis and inserts craters and rocks based on Lunar size-frequency distribution models. We describe the necessary enhancements to import large scale, high resolution terrains into Gazebo, as well as our approach to modeling the visual environment of the Lunar surface. An overview of the mission software system is provided, along with how ROS was used to emulate flight software components that had not been developed yet. Finally, we discuss the effect of using the high-fidelity synthetic Lunar images for visual odometry. We also characterize the wheel slip model, and find some inconsistencies in the produced wheel slip behaviour.

Allan, Mark↗
DOE OSTI2025

Predicting Quantum Criticality in Single-Crystalline Ce 2 Ru 3 Ge 5

Strongly correlated f-electron systems are known to host exotic quantum states, such as quantum criticality, complex order parameters, and unconventional superconductivity. However, the appearance of these exotic states is difficult to predict, making the study of quantum critical behavior challenging, especially in ferromagnetic materials. Herein, we report a structure–property map for Ce 2 M 3 X 5 (M = transition metal; X = main group element) that aids in the targeted design of materials likely to exhibit quantum criticality. Guided by this map, we report on the synthesis of single-crystalline Ce 2 Ru 3 Ge 5 and provide, for the first time, magnetic susceptibility, heat capacity, resistivity, and magnetoresistance measurements on single crystals. Here, we observe a weak ferromagnetic-like response at 7.5 K, which is contrasted with the bulk ferromagnetic ordering that appears in polycrystalline samples. Non-Fermi liquid behavior is seen in the temperature dependent electrical resistivity and heat capacity of the single crystals, suggesting proximity to a ferromagnetic quantum critical point without chemical or physical pressure. Given the contrast with previous reports of polycrystals, these results lead us to propose that single crystalline Ce 2 Ru 3 Ge 5 is intrinsically tuned into the vicinity of a ferromagnetic quantum critical point.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Polarization distributions in compact radio sources

Intensity and polarization maps of active galactic nuclei, obtained with marcsec resolution at 5 GHz using the Mark III VLBI array during 1981-1982, are presented. The techniques of high-resolution polarization synthesis are described, and maps for the superluminal quasar 3C345, the superluminal galaxy 3C120, and the BL Lac objects 0735 + 178 and OJ287 are characterized, with an emphasis on the relationship between arcsec-scale and marcsec-scale jets.

Roberts, David H.↗
NASA NTRS1985

Dual frequency observations of solar microwave bursts using the VLA

Simultaneous VLA observations of microwave bursts at 6 and 2 cm in a solar active region are presented and discussed. Using the full-day synthesis, I and V maps of the active region are produced. The radiation mechanisms at these wavelengths are discussed and the upper and lower bounds on the magnetic field of the active region are derived. The magnetic fields in the microwave burst source are estimated from the brightness temperature and the degree of circular polarization. It is concluded that the 6 cm radiation originates from the bulk heated plasma, whereas the 2 cm radiation is due to the nonthermal particles generated in the energy-release process. The delay between the peaks of emission at the two wavelengths is interpreted using a dc electric field model of flares. Depending on the strength of the electric field and the density in the flaring region, delays in either sense can be observed.

Shevgaonkar, R. K.↗
DOE OSTI2026

Thin-Film Stabilization and Magnetism of η -Carbide-Type Iron Nitrides

Transition-metal nitrides in ..eta..-carbide-type structures exhibit unusual bonding motifs and proximity to magnetic instabilities. Yet they remain unexplored in thin-film form due to the difficulty of stabilizing nitrogen-poor ternaries among competing phases. Here, we report the thin-film synthesis and phase-stability mapping of the ..eta..-nitride systems Fe-W-N and Fe-Mo-N. Amorphous Fe-M-N (M = W, Mo) combinatorial libraries deposited by reactive cosputtering crystallize upon rapid thermal annealing, enabling systematic identification of synthesis windows as a function of composition and annealing temperature. Using laboratory powder X-ray diffraction and synchrotron grazing incidence wide-angle X-ray scattering, we establish that Fe 3 Mo 3 N-based ..eta..-carbide phases form over a substantially broader compositional and thermal range than W-based compositions, where ..eta.. structures are stabilized only when the films are Fe-rich. These trends are rationalized using mixed chemical-potential vs composition phase diagrams that capture the narrow nitrogen chemical-potential stability of ..eta..-nitrides. Magnetic measurements reveal that ferromagnetism is induced in Fe-rich Fe 3.54 Mo 2.46 N with a small exchange-bias-like response that is absent in Fe 3 W 3 N-based compositions, highlighting the sensitivity of magnetic behavior to modest deviations from stoichiometry. This work establishes practical thin-film synthesis routes for ..eta..-nitride materials and demonstrates how composition can be tuned to access emergent magnetic phenomena in these complex nitrides.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Experiments on technology mapping using different cell libraries

Technology mapping is one of the major steps in the synthesis process of integrated circuits. Efficient algorithms have been proposed in the recent past to optimize the number of cells required to implement a given design, but not enough effort has been spent in studying the relationship between the quality of the circuit produced by the logic synthesis tool and the cell library used to perform the mapping. In this paper we present experiments on technology mapping that show how the design of the cell library can influence the area and the delay of the synthesized circuit.

Macii, Enrico↗
DOE OSTI2024

Tunable Growth of Layered Double Hydroxide Nanosheets through Hydrothermal Conversion of Atomic Layer Deposition Seed Layers

To enable the design and manufacturing of hierarchical nanomaterial architectures, there is a need for synthesis and processing methods that can enable tunable geometric control at the nanoscale while maintaining conformality on complex 3-D templates. Here, in this study, we explore the programmable control of vertically oriented Zn-Al layered double hydroxide (LDH) nanosheet arrays using atomic layer deposition (ALD) to deposit a seed layer of Al 2 O 3 , which is subsequently consumed and converted into the LDH phase under hydrothermal growth conditions. We demonstrate tunable control over the spacing and length of the nanosheets by varying the thickness of the initial ALD seed layer with subnanometer precision. This can be viewed as a nanoscale titration reaction, where Al acts as the limiting reagent during the hydrothermal synthesis of the nanosheets. Elemental mapping demonstrates the dynamic evolution of the resulting morphology, which is driven by surface diffusion and nucleation processes. The conformal nature of ALD allows for hierarchical growth of nanosheets on the surface of a variety of nonplanar substrate geometries, including microposts, paper fibers, and porous ceramic supports. This illustrates the power of ALD to enable bottom-up growth of 3-D nanoarchitectures with tunable geometries by controlling nucleation and growth in subsequent solution reactions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

In-situ TEM Holder for Ultrafast, Multimodal Imaging

This project developed a prototype in-situ specimen holder product to transmission electron microscope (TEM) users that drastically expand the usability of TEM by combining nanoscale laser excitation and optical signal collection. A commercial prototype has been constructed and a few nanoscale materials characterization experiments have been performed to validate its performance and demonstrate its utility in real scientific studies, for example, in-situ characterization and mapping of defects in the synthesis of nanostructures.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Coupling Metabolic Source Isotopic Pair Labeling and Genome Wide Association for Metabolite and Gene Annotation in Plants (Final Technical Report)

In this project, we applied our labeling pipeline to Arabidopsis and sorghum by feeding tissues with isotopically labeled versions of commercially available amino acids to identify all metabolite features that incorporate the label. In sorghum, we fed five accessions, sampled across the diversity of sorghum, to identify the precursor-of-origin for metabolites that vary between accessions as well as those that may be missing from a single reference genotype. This provided us with precursor-of-origin annotation for thousands of unknown metabolites. We then used GWA to map genes responsible for the synthesis of precursor-of-origin classified metabolites. For sorghum leaf and root ducible metabolites, we performed untargeted metabolomics on leaf and root tissues from 300 diverse genotyped sorghum inbred lines. The amino acid precursor-of-origin metabolite library were then used to identify the corresponding metabolites in the GWA data sets and to identify novel gene-metabolite associations. Finally, we utilized existing and newly generated sequenced EMS mutants of sorghum to validate the predicted gene-metabolite relationships that our labelling analysis identified. In parallel, we conducted similar feeding experiments in Arabidopsis to categorize metabolites based on precursor-of-origin, identify those that vary across our existing Arabidopsis metabolite GWA dataset, and identify genes required for the synthesis of each metabolite. To provide an independent test of gene annotation and pathway involvement, we tested the GWA gene-metabolite associations in Arabidopsis by analyzing the metabolic phenotypes of gene knockouts. Genes of particular interest from both sorghum and Arabidopsis were studied in detail by directly measuring the activity of the corresponding enzymes following heterologous expression. In summary, this work classified as-yet-unknown amino acid-derived metabolites and identified genes involved in their production generated through “omics” technologies. This information was used to validate gene function and identify new metabolism in Arabidopsis and sorghum.

09 BIOMASS FUELS↗
NASA NTRS2005

Multivariate Parameter Sets for Optimal Synthesis of Compliant Mechanisms

This paper will propose the use of control maps along with discretized elements or meshes in the design parameter set for optimizing compliant mechanisms. The use of control maps will be demonstrated to encode the motion of groups of nodes or control points within a compliant mechanism design with simple mapping rules. The technique will serve as an alternative to increased mesh size or node wandering techniques that have been proposed to increase the number of alternative design shapes that may be considered. As an alternative approach, the proposed control map parameterization has the significant benefit that it minimizes the number of design parameters necessary (parameters increase linearly with the mesh size) in describing a given design making it computationally efficient. A limited number of tiles can produce a map that has a significant effect on the final shape. If the tiles are chosen appropriately, the problems such as material overlap and non-convex mesh elements are avoided automatically. This paper will describe the implementation of these control maps and provide several examples showing their implementation in the compliant mechanism topology synthesis process.

Shibakov, Alex↗
DOE OSTI2025

AI‐Driven Robot Enables Synthesis‐Property Relation Prediction for Metal Halide Perovskites in Humid Atmosphere

Materials Acceleration Platforms (MAPs) – also known as self-driving laboratories– present a new paradigm for materials science and promise an order of magnitude accelerated materials discovery compared to the traditional trial-and-error approach. Metal halide perovskites (MHPs) are an emerging class of materials for optoelectronic applications but are plagued by irreproducible optoelectronic quality, particularly for films fabricated in a humid atmosphere. Here, in this work, a machine learning (ML)-guided closed-loop platform is developed with a multimodal data fusion approach to predict synthesis–property relations for the optical quality of MHP thin films in relative humidities (RHs) ranging from 5–55%. The efficiency of this approach is confirmed by the fast-dropping learning rate to 2% after experimentally sampling less than 1% of the possible 5,000+ combinations. The prediction of synthesis–property relations is done by optical and imaging characterizations. In situ photoluminescence characterization revealed the origin of thin film quality variation at different RH. These insights provide an avenue for controlling the MHP crystallization by fine-tuning the synthesis parameters and RH for a given chemistry, thus lifting the need for stringent atmosphere control. The MAP enables an accelerated screening and understanding of the synthesis design space, facilitating rational synthesis recipe choice for a wide range of materials.

AI-driven robot↗
NASA NTRS1991

Computer-aided system design

A technique has been developed for combining features of a systems architecture design and assessment tool and a software development tool. This technique reduces simulation development time and expands simulation detail. The Architecture Design and Assessment System (ADAS), developed at the Research Triangle Institute, is a set of computer-assisted engineering tools for the design and analysis of computer systems. The ADAS system is based on directed graph concepts and supports the synthesis and analysis of software algorithms mapped to candidate hardware implementations. Greater simulation detail is provided by the ADAS functional simulator. With the functional simulator, programs written in either Ada or C can be used to provide a detailed description of graph nodes. A Computer-Aided Software Engineering tool developed at the Charles Stark Draper Laboratory (CSDL CASE) automatically generates Ada or C code from engineering block diagram specifications designed with an interactive graphical interface. A technique to use the tools together has been developed, which further automates the design process.

Walker, Carrie K.↗