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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Unraveling the Nature of Vibrational Dynamics in CsPbI 3 by Inelastic Neutron Scattering and Molecular Dynamics Simulations

Cesium lead iodide, CsPbI 3 , is an optoelectronic material of large interest for various technological applications; however, fundamental questions surrounding the vibrational dynamics of this material, especially regarding its role in structural phase transitions, remain to be elucidated. Here, in a combined variable temperature inelastic neutron scattering (INS) and machine-learning based molecular dynamics (MD) simulation study, we show that the stable phase at room temperature, i.e., the nonperovskite δ-phase, exhibits phonon modes with weak anharmonicity with only a weak temperature dependence from 10 K all the way up to the transition to the cubic perovskite α-phase at approximately 600 K. In contrast, the α-phase features anharmonic and damped vibrational dynamics, mainly associated with overdamped tilting motions of the PbI 6 octahedra. Crucially, these overdamped tilting modes, which relate to the tetragonal and orthorhombic distorted perovskite phases (β- and γ-phase, respectively) formed at lower temperatures, stay overdamped by more than 100 K above the respective phase transition. This suggests a flat energy landscape of octahedral tilting motions in α-CsPbI3 and with structural fluctuations on the picosecond time scale with tilting patterns that locally resemble the structure of the β- and γ-phases. The vibrational dynamics of α-CsPbI 3 are also characterized by pronounced anharmonic motions with large thermal displacements of the Cs + ions, but these modes remain underdamped at 600 K.

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

Validation of Quasi-Invariant Ice Cloud Radiative Quantities with MODIS Satellite-Based Cloud Property Retrievals

Similarity relations applied to ice cloud radiance calculations are theoretically analyzed and numerically validated. If t(1v) and t(1vg) are conserved where t is optical thickness, v the single-scattering albedo, and g the asymmetry factor, it is possible that substantially different phase functions may give rise to similar radiances in both conservative and non-conservative scattering cases, particularly in the case of large optical thicknesses. In addition to theoretical analysis, this study uses operational ice cloud optical thickness retrievals from the Moderate Resolution Imaging Spectroradiometer (MODIS) Level 2 Collection5 (C5) and Collection 6 (C6) cloud property products to verify radiative similarity relations. It is found that, if the MODIS C5 and C6 ice cloud optical thickness values are multiplied by their respective (1wg)factors, the resultant products referred to as the effective optical thicknesses become similar with their ratio values around unity. Furthermore, the ratios of the C5 and C6 ice cloud effective optical thicknesses display an angular variation pattern similar to that of the corresponding ice cloud phase function ratios. The MODIS C5 and C6 values of ice cloud similarity parameter, defined as [(1w)(1(exp. 1/2)wg)]12, also tend to be similar.

Radiative transfer↗
DOE OSTI2025

What Is the Limit of Quantification for the Minor Phase in Time-of-Flight Neutron Diffraction? A Case Study on Fe and Ni Powder Mixtures at VULCAN

A phase present in small quantities within materials may not simply serve as a secondary component; it can play a crucial role in determining the integrity, properties, and performance of the material. These minor but important phases usually draw attention in material design and processing for fundamental understanding as well as material quality control. Accurately quantifying a minor phase amid a majority phase, especially at extremely low fractions, remains a challenging task. Time-of-flight neutron diffraction, coupled with advanced pattern analysis techniques like Rietveld refinement, is a powerful tool for crystal structure identification and phase quantification. The deep penetrating capability of neutrons enables the detection and quantification of trace phases within materials. In this study, the quantification limits of time-of-flight neutron diffraction were explored using the VULCAN diffractometer at the Spallation Neutron Source, using Fe–Ni powder mixtures as a sample system. By comparing the refinement results to the known weighed values, it was determined that the reliable quantification of a minor Ni phase is achievable down to about 0.1 wt% while a Ni fraction as low as 0.02 wt% is difficult to trace. Effective control of the refinement parameters, especially the profile function parameters, are found to significantly influence the convergence of fittings and the accuracy of phase quantification.

Rietveld refinement↗
NASA NTRS1983

Far-field distributions of semiconductor phase-locked arrays with multiple contacts

Experimental results on far-field patterns of semiconductor laser arrays with multiple contacts are reported. It is found that, by tailoring the distribution of the currents through the array elements, narrow single-lobe patterns, which are more useful in most applications, can be obtained from arrays that usually operate in a double-lobe mode. A diffraction-limited 1.8 deg-wide far field pattern was obtained from a three-element array.

Katz, J.↗
NASA NTRS2013

The Precipitation Response Over the Continental United States to Cold Tropical Pacific Sea Surface Temperatures

The dominant pattern of annual mean SST variability in the Pacific (in its cold phase) produces pronounced precipitation deficits over the continental United States (U.S.) throughout the annual cycle. This study investigates the physical and dynamical processes through which the cold Pacific pattern affects the U.S. precipitation, particularly the causes for the peak dry impacts in fall, as well as the nature of the differences between the summer and fall responses. Results, based on observations and reanalyses, show that the peak precipitation deficit over the U.S. during fall is primarily due to reduced atmospheric moisture transport from the Gulf of Mexico into the central and eastern U.S., and secondarily due to a reduction in local evaporation from land-atmosphere feedback. The former is associated with a strong and systematic low-level northeasterly flow anomaly over the southeastern U.S. that counteracts the northwest branch of the climatological flow associated with the north Atlantic subtropical high. The above northeasterly anomaly is maintained by both diabatic heating anomalies in the nearby Intra-American Seas and diabatic cooling anomalies in the tropical Pacific. In contrast, the modest summertime precipitation deficit over the U.S. is mainly the result of local land-atmosphere feedback; the rather weak and disorganized atmospheric circulation anomalies over and to the south of the U.S. make little contribution. An evaluation of NSIPP-1 AGCM simulations shows it to be deficient in simulating the warm season tropical convection responses over the Intra-American Seas to the cold Pacific pattern and thereby the precipitation responses over the U.S., a problem that appears to be common to many AGCMs.

SST↗
NASA NTRS2016

Study of Material Consolidation at Higher Throughput Parameters in Selective Laser Melting of Inconel 718

Selective Laser Melting (SLM) is a powder bed fusion additive manufacturing process used increasingly in the aerospace industry to reduce the cost, weight, and fabrication time for complex propulsion components. SLM stands poised to revolutionize propulsion manufacturing, but there are a number of technical questions that must be addressed in order to achieve rapid, efficient fabrication and ensure adequate performance of parts manufactured using this process in safety-critical flight applications. Previous optimization studies for SLM using the Concept Laser M1 and M2 machines at NASA Marshall Space Flight Center have centered on machine default parameters. The objective of this work is to characterize the impact of higher throughput parameters (a previously unexplored region of the manufacturing operating envelope for this application) on material consolidation. In phase I of this work, density blocks were analyzed to explore the relationship between build parameters (laser power, scan speed, hatch spacing, and layer thickness) and material consolidation (assessed in terms of as-built density and porosity). Phase II additionally considers the impact of post-processing, specifically hot isostatic pressing and heat treatment, as well as deposition pattern on material consolidation in the same higher energy parameter regime considered in the phase I work. Density and microstructure represent the "first-gate" metrics for determining the adequacy of the SLM process in this parameter range and, as a critical initial indicator of material quality, will factor into a follow-on DOE that assesses the impact of these parameters on mechanical properties. This work will contribute to creating a knowledge base (understanding material behavior in all ranges of the AM equipment operating envelope) that is critical to transitioning AM from the custom low rate production sphere it currently occupies to the world of mass high rate production, where parts are fabricated at a rapid rate with confidence that they will meet or exceed all stringent functional requirements for spaceflight hardware. These studies will also provide important data on the sensitivity of material consolidation to process parameters that will inform the design and development of future flight articles using SLM.

Prater, Tracie↗
NASA NTRS2003

Nanolayered Features of Collagen-like Peptides

We have been investigating collagen-like model oligopeptides as molecular bases for complex ordered biomimetic materials. The collagen-like molecules incorporate aspects of native collagen sequence and secondary structure. Designed modifications to native primary and secondary structure have been incorporated to control the nanostructure and microstructure of the collagen-like materials produced. We find that the collagen-like molecules form a number of lyotropic rod liquid crystalline phases, which because of their strong temperature dependence in the liquid state can also be viewed as solvent intercalated thermotropic liquid crystals. The liquid crystalline phases formed by the molecules can be captured in the solid state by drying off solvent, resulting in solid nanopatterned (chemically and physically) thermally stable (to greater than 100 C) materials. Designed sequences which stabilize smectic phases have allowed a variety of nanoscale multilayered biopolymeric materials to be developed. Preliminary investigations suggest that chemical patterns running perpendicular to the smectic layer plane can be functionalized and used to localize a variety of organic, inorganic, and organometallic moieties in very simple multilayered nanocomposites. The phase behavior of collagen-like oligopeptide materials is described, emphasizing the correlation between mesophase, molecular orientation, and chemical patterning at the microscale and nanoscale. In many cases, the textures observed for smectic and hexatic phase collagens are remarkably similar to the complex (and not fully understood) helicoids observed in biological collagen-based tissues. Comparisons between biological morphologies and collagen model liquid crystalline (and solidified materials) textures may help us understand the molecular features which impart order and function to the extracellular matrix and to collagen-based mineralized tissues. Initial studies have utilized synthetic collagen-like peptides while future work will also focus on similar sequences generated via genetic engineering methods.

Valluzzi, Regina↗
NASA NTRS1992

Phase transformations in 40-60-GPa shocked gneisses from the Haughton Crater (Canada): An Analytical Transmission Electron Microscopy (ATEM) study

In order to better understand phase transformations, chemical migration, and isotopic disequilibrium in highly shocked rocks, we have performed a microprobe and an ATEM study on gneisses shocked up to 60 GPa from the Haughton Crater. This study reveals the following chemical and structural characteristics: (1) SiO2 dominant areas are formed by a mixture of pure SiO2 polycrystalline quartz identified by electron diffraction pattern and chemical analysis and a silica-rich amorphous phase containing minor amounts of aluminium, potassium, and iron; (2) Areas with biotitelike composition are formed by less than 200-nm grains of iron-rich spinels embedded in a silica-rich amorphous phase that is very similar to the one described above; (3) Layers with feldsparlike composition are constituted by 100-200-nm-sized alumina-rich grains (the indexation of the crystalline structure is under progress) and the silica-rich amorphous phase; (4) Zones characterized by the unusual Al/Si ratio close to 1 are formed by spinel grains (200-nm-sized) embedded in the same silica-rich amorphous phase; and (5) The fracturated sillimanites contain domains with a lamellar structure, defined by the intercalation of 100-nm-wide lamellae of mullite crystals and of a silica-rich amorphous phase. These mullite crystals preserved the crystallographical orientation of the preshock sillimanite. All compositional domains, identified at the microprobe scale, can thus be explained by a mixture in different proportion between the following phases: (1) a silica-rich amorphous phase, with minor Al and K; (2) quartz crystals; (3) spinel crystals and alumina-rich crystals; (4) sillimanite; and (5) mullite. Such mixtures of amorphous phases and crystals in different proportions explain disturbed isotope systems in these rocks and chemical heterogeneities observed on the microprobe.

Martinez, I.↗
NASA NTRS2017

DANTi: Detect and Avoid iN The Cockpit

Mid-air collision risk continues to be a concern for manned aircraft operations, especially near busy non-towered airports. The use of Detect and Avoid (DAA) technologies and draft standards developed for unmanned aircraft systems (UAS), either alone or in combination with other collision avoidance technologies, may be useful in mitigating this collision risk for manned aircraft. This paper describes a NASA research effort known as DANTi (DAA iN The Cockpit), including the initial development of the concept of use, a software prototype, and results from initial flight tests conducted with this prototype. The prototype used a single Automatic Dependent Surveillance - Broadcast (ADS-B) traffic sensor and the own aircraft's position, track, heading and air data information, along with NASA-developed DAA software to display traffic alerts and maneuver guidance to manned aircraft pilots on a portable tablet device. Initial flight tests with the prototype showed a successful DANTi proof-of-concept, but also demonstrated that the traffic separation parameter set specified in the RTCA SC-228 Phase I DAA MOPS may generate excessive false alerts during traffic pattern operations. Several parameter sets with smaller separation values were also tested in flight, one of which yielded more timely alerts for the maneuvers tested. Results from this study may further inform future DANTi efforts as well as Phase II DAA MOPS development.

Chamberlain, James↗
DOE OSTI2025

Machine learning for domain transfer between simulated and experimental 2D X-ray diffraction patterns using generative adversarial networks

X-ray diffraction (XRD) is a well-established technique for analyzing materials at an atomic level. Dynamic compression experiments (DCE), in which materials are subject to extreme pressures, can provide fundamental understanding to pressure-induced phase transitions and compression of the crystal lattice. The analysis of XRD patterns from highly compressed samples is non-trivial given the sparsity of data, high experimental costs, and the fact that the data is often marred with X-ray background and other artifacts. While accurate computational frameworks exist, they solve the forward problem—from structures and orientations to XRD patterns. Solving the inverse problem for 2D experimental diffraction patterns is currently a complex manual process of matching and comparing experimentally observed patterns to computationally generated ones. Machine learning is a promising tool for automating the matching process but often requires data-intensive architectures. Here, in this study, we use a CycleGAN to translate the domain of limited experimental data to a domain in which there is readily available simulated data. This domain shift allows data-intensive machine learning models that have only been trained on simulated XRD patterns to be used in the analysis of experiments.

Brozak, Samantha Jean [Sandia National Laboratorie↗
DOE OSTI2026

Current-Phase Relations of Superconducting PtSi Constriction Josephson Junctions

Here, we study the current-phase relations of superconductor–constriction–superconductor Josephson junctions made from platinum silicide thin films by fabricating dc-superconducting quantum interference devices incorporating pairs of junctions and measuring their magnetic-field-dependent electrical transport. By comparing the supercurrent interference patterns with numerical Ginzburg–Landau simulations, we extract the current-phase relations of individual junctions and quantify the degree of nonlinearity. These measurements show that while the constrictions themselves sustain substantial nonlinearity, the effect is moderated by the kinetic inductance of the device leads, which is an important consideration for practical superconducting circuit applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Hydrogen, Methane, Brine Flow Behavior, and Saturation in Sandstone Cores During H 2 and CH 4 Injection and Displacement

Large-scale underground hydrogen storage (UHS) is a critical component in the emerging hydrogen economy. Knowledge of multiphase flow behavior involving hydrogen in storage reservoir formations is crucial to characterizing hydrogen transport properties and essential for the deliverability and storage operations of UHS. There are still many gaps in fully understanding hydrogen–methane–brine multiphase phase flow that require further investigation. In this work, H 2 and CH 4 were injected through brine-saturated sandstone cores using a tri-axial core holder system fitted with flow rate meters and pressure transducers, while the effluent gas concentrations were analyzed using an online micro gas chromatograph. Brine displacement, permeability, and gas breakthrough curves were measured. We studied the flow behavior of hydrogen and methane in sandstone cores through testing brine displacement by gas injection and comparing the hydrogen displacement of methane with the methane displacement of hydrogen. We also tested the differences between horizontal and vertical flow in brine displacement. The results showed that brine displacement was more efficient in a core with higher permeability and porosity, resulting in a higher initial gas saturation. A higher gas injection rate brought about faster gas breakthrough measured by pore volume and sharper concentration curves. Hydrogen did not exhibit abnormal flow in the sandstone when the flow was horizontal and downward vertical. Gas overriding was observed in brine displacements when the flow was horizontal, with hydrogen showing this behavior more profoundly compared to methane. Downward vertical gas injection induced higher efficiency brine displacement compared to horizontal displacement and resulted in a higher initial gas saturation in the sandstone cores. These findings address critical knowledge gaps regarding gas flow patterns and displacement behaviors during hydrogen injection and recovery phases in UHS facilities using methane as the cushion gas. The insights from this research offer valuable guidance for optimizing UHS systems, ensuring operational efficiency, and advancing sustainable energy solutions in alignment with decarbonization goals.

08 HYDROGEN↗
DOE OSTI2026

Emergence of complex-regular eutectic patterns in Al–Ge: Observations from correlative nano-imaging

Eutectic solidification exemplifies nonequilibrium pattern formation, making it a well-studied moving boundary problem. Yet the mechanisms behind the formation of complex-regular microstructures – particularly in highly anisotropic systems with a significant volume fraction of a faceted phase – remain poorly understood. Our understanding of such systems is made complicated by the nonlinear interface kinetics and unique growth dynamics characteristic of faceted phases. To address these challenges, we investigate a model Al–Ge eutectic system, where the faceted Ge phase constitutes a substantial volume fraction (~0.35) and where the two solid phases arrange into so-called “fishbone” or “feather” complex-regular patterns. Using synchrotron-based x-ray nano-imaging and nanotomography with high spatial resolution (22 nm per pixel), we capture in real-time the evolution of the solid–liquid interfaces and the resulting three-dimensional microstructures in this faceted/non-faceted eutectic system. By integrating these observations with electron backscattered diffraction, we elucidate the crystallographic biases on the solidification process and the mechanisms driving the formation of such complex-regular microstructures. These findings inform a new growth model for irregular eutectics in (near-)symmetrical phase diagrams, offering insight on advanced microstructural design and processing strategies. More broadly, we demonstrate how interfacial curvature is generated in irregular eutectic alloys and how it depends on the volume fraction of the faceted phase.

36 MATERIALS SCIENCE↗
NASA NTRS1983

The role of phosphorus in lunar samples - A chemical study

Phases rapidly dissolved by pH1 HNO3 acid are found in up to 60% of the REE, P, U, and halogens in basalt 75055, basalt mineral separates, KREEP-rich breccia 14312, and components from highland breccia 66095. This suggests that they may be phosphates. The 0.1 M HNO3 soluble fractions from whole rock breccias 14312 and 66095, and 60095 matrix, and a melt rock clast, have similar REE patterns. This implies that the same major REE-bearing phase is common to all the samples. The postleach residues contain REE in other phases. The acid-soluble phases associated with separated minerals from 75055 are depleted in REE relative to P, and also relative to REE and P in the bulk igneous rock. This may be interpreted as partitioning of REE present at grain surfaces into the major minerals.

Jovanovic, S.↗
NASA NTRS1987

False lock performance in polarity-type Costas receivers in the presence of periodic data patterns

The authors address the false-lock performance of receivers which use polarity-type Costas loops for the carrier recovery of unbalanced quadrature phase-shift keyed (QPSK), asynchronous QPSK or binary PSK (BPSK) signals in the presence of periodic data patterns. The potential false-lock frequencies are first identified. Expressions for both true-lock and false-lock components are also derived, thereby allowing numerical evaluation of various key parameters for cases of practical interest.

Wang, James June-Ming↗
DOE OSTI2025

Structured interactions drive abrupt transitions in the spatial organization of microbial communities

Bacteria possess diverse mechanisms to regulate their motility in response to environmental and physiological signals, enabling them to navigate complex habitats and adapt their behavior. Some of these mechanisms are species specific and enable cells to modulate their movement based on the ecological identity of neighboring species. Here, we introduce a model in which bacteria interact via local signals that either enhance or suppress the motility of neighboring cells depending on species type. Through large-scale simulations and a coarse-grained stochastic model, we demonstrate the emergence of a sharp transition driven by nucleation processes: increasing the density of motility-suppressing interactions drives the system from a fully mixed, motile phase to a state characterized by large, stationary bacterial clusters. Remarkably, in systems with a large number of interacting species, this transition can be triggered solely by altering the structure of the motility-regulation interaction matrix while maintaining species and interaction densities constant. In particular, we find that heterogeneous and modular interactions promote the transition more readily than homogeneous random ones. These findings add a dimension to the theory of motility-induced phase separation and contribute to the ongoing effort to understand microbial interactions, suggesting that structured, nonrandom ones may be key to reproducing commonly observed spatial patterns in microbial communities.

bacterial communities↗
NASA NTRS2020

Large-Scale Influences on Atmospheric River–Induced Extreme Precipitation Events Along the Coast of Washington State

Transient, narrow plumes of strong water vapor transport, referred to as Atmospheric Rivers (ARs) are responsible for much of the precipitation along the west coast of the United States. Along the coast of Oregon and Washington, the most intense cool season precipitation events are almost always induced by an AR and can result in detrimental impacts on society due to mudslides and flooding. It is therefore important to understand the large scale influence on extreme AR events so that they can be accurately predicted on timescales ranging from numerical weather prediction to seasonal forecasts. Here, characteristics of ARs that result in observed extreme precipitation events are compared to typical ARs on the coast of Washington State using data from the Modern Era Retrospective analysis for Research and Applications, Version 2. In addition to more intense water vapor transport, notable differences in the synoptic scale forcing are present during extreme precipitation events that are not present during typical AR events. In particular, an anomalously deep low pressure system is stationed to the west in the Gulf of Alaska, alongside a jet streak overhead. Attention will also be given to subseasonal and seasonal teleconnection patterns that are known to influence the weather in the Pacific Northwest of the United States. While little influence can be seen from the phase of the El Nino Southern Oscillation, Pacific Decadal Oscillation, and Pacific North American Pattern, the Madden Julian Oscillation (MJO) can play a role in determining the strength of precipitation associated with in AR on the Washington Coast. Lastly, interactions between the MJO and other teleconnection patterns will be explored to determine key features that should be investigated when making subseasonal predictions for AR activity and the associated precipitation in the Pacific Northwest.

Collow, Allison↗