Search NASA⌕ Search

SEARCH · Search NASA

Results for “Grain aggregates”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Elementary Composite Binary and Grain Alignment Locked in Dust Growth

Abstract Planets are known to grow out of a star-encircling disk of the gas and dust inherited from an interstellar cloud; their formation is thought to begin with coagulation of submicron dust grains into aggregates, the first foundational stage of planet formation. However, with nanoscale and submicron solids unobservable directly in the interstellar medium (ISM) and protoplanetary disks, how dust grains grow is unclear, as are the morphology and structure of interstellar grains and the whereabouts and form of “missing iron.” Here we show an elementary composite binary in 3D sub-10 nm detail—and the alignments of its two subunits and nanoinclusions and a population of elongated composite grains locked in a primitive cosmic dust particle—noninvasively uncovered with phase-contrast X-ray nanotomography. The binary comprises a pair of oblate, quasi-spheroidal grains whose alignment and shape meet the astrophysical constraints on polarizing interstellar grains. Each member of the pair contains a high-density core of octahedral nanocrystals whose twin relationship is consistent with the magnetite’s diagnostic property at low temperatures, with a mantle exhibiting nanoscale heterogeneities, rounded edges, and pitted surfaces. This elongated binary evidently formed from an axially aligned collision of the two similar composite grains whose core–mantle structure and density gradients are consistent with interstellar processes and astronomical evidence for differential depletion. Our findings suggest that the ISM is threaded with dust grains containing preferentially oriented iron-rich magnetic nanocrystals that hold answers to astronomical problems from dust evolution, grain alignment, and the structure of magnetic fields to planetesimal growth.

Hu, Z. W. (ORCID:0000000278648830)↗
NASA NTRS1999

Aeolin Features and Processes at the Mars Pathfinder Landing Site

The Mars Pathfinder landing site contains abundant features attributed to aeolian, or wind, processes. These include wind tails, drift deposits, duneforms of various types, ripplelike features, and ventifacts (the first clearly seen on Mars). Many of these features are consistant with formation involving sand-size particles. Although some features, such as dunes, could develop from saltating sand-size aggregates of finer grains, the discovery of ventifact flutes cut in rocks strongly suggests that at least some of the grains are crystalline, rather than aggregates. Excluding the ventifacts, the orientations of the wind-related features correlate well with the orientations of bright wind steaks seen on Viking Orbiter images in the general area. They also correlate with wind direction predictions from the NASA-Ames General Circulation Model (GCM) which show that the strongest winds in the area occur in the northern hemisphere winter and are directed toward 209 degrees.

Greeley, Ronald↗
NASA NTRS2013

Chemical Heterogeneity of a Large Cluster IDP: Clues to its Formation History Using X-ray Fluorescence Mapping and XANES Spectroscopy

Chondritic porous IDPs may be among the most primitive objects found in our solar system [1]. They consist of many micron to submicron minerals, glasses and carbonaceous matter [2,3,4,5,6,7] with > 10(exp 4) grains in a 10 micron cluster [8]. Speculation on the environment where these fine grained, porous IDPs formed varies with possible sources being presolar dusty plasma clouds, protostellar condensation, solar asteroids or comets [4,6,9]. Also, fine grained dust forms in our solar system today [10,11]. Isotopic anomalies in some particles in IDPs suggest an interstellar source[4,7,12]. IDPs contain relic particles left from the dusty plasma that existed before the protostellar disk formed and other grains in the IDPs formed later after the cold dense nebula cloud collapsed to form our protostar and other grains formed more recently. Fe and CR XANES spectroscopy is used here to investigate the oxygen environment in a large (>50 10 micron or larger sub-units) IDP. Conclusions: Analyzing large (>50 10 micron or larger sub-units) CP IDPs gives one a view on the environments where these fine dust grains formed which is different from that found by only analyzing the small, 10 micron IDPs. As with cluster IDP L2008#5 [3], L2009R2 cluster #13 appears to be an aggregate of grains that sample a diversity of solar and perhaps presolar environments. Sub-micron, grain by grain measurement of trace element contents and elemental oxidation states determined by XANES spectroscopy offers the possibility of understanding the environments in which these grains formed when compared to standard spectra. By comparing thermodynamic modeling of condensates with analytical data an understanding of transport mechanisms operating in the early solar system may be attained.

Wirick, S.↗
DOE OSTI2024

A coarse-grained model of clay colloidal aggregation and consolidation with explicit representation of the electrical double layer

The aggregation of clay minerals in liquid water exemplifies colloidal self-assembly in nature. These negatively charged aluminosilicate platelets interact through multiple mechanisms with different sensitivities to particle shape, surface charge, aqueous chemistry, and interparticle distance and exhibit complex aggregation structures. Experiments have difficulty resolving the associated colloidal assemblages at the scale of individual particles. Conversely, all-atom molecular dynamics (MD) simulations provide detailed insight on clay colloidal interaction mechanisms, but they are limited to systems containing a few particles. We develop a new coarse-grained (CG) model capable of representing assemblages of hundreds of clay particles with accuracy approaching that of MD simulations, at a fraction of the computational cost. Our CG model is parameterized based on MD simulations of a pair of smectite clay particles in liquid water. A distinctive feature of our model is that it explicitly represents the electrical double layer (EDL), i.e., the cloud of charge-compensating cations that surrounds the clay particles. Our model captures the simultaneous importance of long-range colloidal interactions (i.e., interactions consistent with simplified analytical models, already included in extant clay CG models) and short-range interactions such as ion correlation and surface and ion hydration effects. The resulting simulations correctly predict, at low solid-water ratios, the existence of ordered arrangements of parallel particles separated by water films with a thickness up to ~10 nm and, at high solid-water ratios, the coexistence of crystalline and osmotic swelling states, in agreement with experimental observations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

An extended three-field principle to scale-bridge the granular micromechanics of polymer-bonded particulate materials

Observed phenomena of damage, viscoelasticity, and viscoplasticity in polymer-bonded particulate materials (PBPM), like polymer-bonded explosive (PBX), are accommodated in a scale-bridging constitutive model based on granular micromechanics. An extended three-field variational principle with min - max optimization problem is introduced to homogenize the bonded aggregates’ grain-scale contact mechanics. Similarly to prior applications of a three-field principle, volume constraints are invoked to embed microscale-to-macroscale correspondences for kinematic and static volumetric measures, like mean strain and its energy-conjugate stress invariant. Unlike prior applications, our three-field principle realizes a strain-driven model for effective constitutive behavior due to bonded intergranular contact. In conclusion, the resultant micro-sphere integration-based homogenization is demonstrated in comparison to existing publicly-available measurements to capture the extreme tension/compression constitutive asymmetry exhibited by PBPMs (specifically PBX-9501) during material softening.

42 ENGINEERING↗
DOE OSTI2025

A generalizable machine learning-assisted fast Fourier transform algorithm to simulate the large strain phenomena in polycrystalline materials

Machine learning methods have shown initial promise in constitutive modeling for single crystals or homogenized polycrystals, delivering notable computational efficiency. However, existing machine learning-based constitutive models often lack generalizability, limiting their application across diverse boundary value problems. This study introduces a thermodynamics-informed artificial neural network model to accelerate rate-tangent crystal plasticity fast Fourier transform simulations for cross-scale deformation behaviors of polycrystals under complex loading. Our model integrates microstructural variability and local interactions effectively. To address local effects in each grain, we employ K-means clustering to group Gauss points within the microstructure into clusters assumed to be in similar mechanical states. This approach, based on self-clustering analysis, extends model scope from macroscopic stress response to the granular level, capturing mechanical responses and orientation evolution across grains. This reduces the number of nonlinear problems to solve, with cluster responses propagated throughout each group. The thermodynamics-based artificial neural network-extracted features are further processed using local material state clusters to account for history-dependent deformation and evolving microstructures. Additionally, representative volume element simulations with rate-tangent crystal plasticity fast Fourier transform provide reliable datasets for model training. The proposed model demonstrates high efficiency, accuracy, self-consistency, and enhanced generalizability in predicting strain–stress responses and orientation evolution at both individual grain and aggregate scales under complex loading conditions, such as biaxial tension and arbitrary loading scenarios.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Synthesis and thermodynamics of uranium-incorporated α-Fe 2 O 3 nanoparticles

Hematite nanoparticles were synthesized with U(VI) in circumneutral water through a coprecipitation and hydrothermal treatment process. XRD, TEM, and EXAFS analyses reveal that uranium may aggregate along grain boundaries and occupy Fe sites within hematite. The described synthesis method produces crystalline, single-phase iron oxide nanoparticles absent of surface-bound uranyl complexes. EXAFS data were comparable to spectra from existing studies whose syntheses were more representative of naturally occurring, extended aging processes. Herein this work provides and validates an accelerated method of synthesizing uranium-immobilized iron oxide nanoparticles for further mechanistic studies. High temperature oxide melt solution calorimetry measurements were performed to calculate the thermodynamic stability of uranium-incorporated iron oxide nanoparticles. Increasing uranium content within hematite resulted in more positive formation enthalpies. Standard formation enthalpies of U x Fe 2–2x O 3 were as high as 76.88 ± 2.83 kJ/mol relative to their binary oxides, or -764.04 ± 3.74 kJ/mol relative to their constituent elements, at x = 0.037. Data on the thermodynamic stability of uranium retention pathways may assist in predicting waste uranyl remobilization, as well as in developing more effective methods to retain uranium captured from aqueous environments.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A re-examination of the mechanism of whiting events: A new role for diatoms in Fayetteville Green Lake (New York, USA)

Whiting events—the episodic precipitation of fine-grained suspended calcium carbonates in the water column—have been documented across a variety of marine and lacustrine environments. Whitings likely are a major source of carbonate muds, a constituent of limestones, and important archives for geochemical proxies of Earth history. While several biological and physical mechanisms have been proposed to explain the onset of these precipitation events, no consensus has been reached thus far. Fayetteville Green Lake (New York, USA) is a meromictic lake that experiences annual whitings. Materials suspended in the water column collected through the whiting season were characterized using scanning electron microscopy and scanning transmission X-ray microscopy. Whitings in Fayetteville Green Lake are initiated in the spring within the top few meters of the water column, by precipitation of fine amorphous calcium carbonate (ACC) phases nucleating on microbial cells, as well as on abundant extracellular polymeric substances (EPS) frequently associated with centric diatoms. Whiting particles found in the summer consist of 5–7 μm calcite grains forming aggregates with diatoms and EPS. Simple calculations demonstrate that calcite particles continuously grow over several days, then sink quickly through the water column. In the late summer, partial calcium carbonate dissolution is observed deeper in the water column. Settling whiting particles, however, reach the bottom of the lake, where they form a major constituent of the sediment, along with diatom frustules. The role of diatoms and associated EPS acting as nucleation surfaces for calcium carbonates is described for the first time here as a potential mechanism participating in whitings at Fayetteville Green Lake. This mechanism may have been largely overlooked in other whiting events in modern and ancient environments.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1981

A once-molten, coarse-grained, Ca-rich inclusion in Allende

A compact, spheroidal Type B inclusion in Allende contains melilite laths that project radially inward from the inclusion edge which show interference growth textures. The combined textural and chemical features of this object cannot be explained by independent vapor-solid condensation of grains in space, followed by random aggregation of these grains into an inclusion. Instead, it probably formed from a once-molten droplet that crystallized in response to radiative cooling from its outer surface. The crystallization sequence in this and another similar inclusion in which oxygen isotopes have been measured is melilite-spinel-anorthite-fassaite; this sequence shows that oxygen isotopic heterogeneities in coarse-grained inclusions were formed after complete solidification of these objects by partial exchange with a less O-16-rich gas, and not during or before a melting event.

Macpherson, G. J.↗
NASA NTRS1986

A fractal model of a cometary nucleus formed by random accretion

Numerical simulations of the structure of aggregates of grains in the solar system show they are fractals with low density and irregular shapes. Comet nuclei forming from a mixture of ice and dust grains are likely to have nonuniform composition as well as structure. Such a nucleus appears to account for observed characteristic of comets. The structure has significant implications for the evolution of cometary nuclei.

Donn, Bertram↗
NASA NTRS1990

Scattering properties of natural snow and frost - Comparison with icy satellite photometry

The Hapke (1986) equation is presently fit to ascertain the single-scattering albedo of the icy satellites of Uranus and Neptune and the one-term Henyey-Greenstein particle-phase function g for each of the Middleton and Mungall (1952) goniophotometric data samples. There emerge both very high single-scattering albedos and strongly forward-scattering particle phase functions; while these are in keeping with Mie theory-based theoretical considerations, they contrast with the observed backscattering behavior of icy satellites. It is suggested the icy satellite frost grains are aggregated into particles of complex texture, which produce the unusual backscattering behavior.

Verbiscer, Anne J.↗
NASA NTRS2015

The THS Experiment: Simulating Titans Atmospheric Chemistry at Low Temperature (200K)

In Titan's atmosphere, composed mainly of N2 (95-98%) and CH4 (2-5%), a complex chemistry occurs at low temperature, and leads to the production of heavy organic molecules and subsequently solid aerosols. Here, we used the Titan Haze Simulation (THS) experiment, an experimental setup developed at the NASA Ames COSmIC simulation facility to study Titan's atmospheric chemistry at low temperature. In the THS, the chemistry is simulated by plasma in the stream of a supersonic expansion. With this unique design, the gas is cooled to Titan-like temperature ( approximately 150K) before inducing the chemistry by plasma, and remains at low temperature in the plasma discharge (approximately 200K). Different N2-CH4-based gas mixtures can be injected in the plasma, with or without the addition of heavier precursors present as trace elements on Titan, in order to monitor the evolution of the chemical growth. Both the gas- and solid phase products resulting from the plasma-induced chemistry can be monitored and analyzed using a combination of complementary in situ and ex situ diagnostics. A recent mass spectrometry[1] study of the gas phase has demonstrated that the THS is a unique tool to probe the first and intermediate steps of Titan's atmospheric chemistry at Titan-like temperature. In particular, the mass spectra obtained in a N2-CH4-C2H2-C6H6 mixture are relevant for comparison to Cassini's CAPS-IBS instrument. The results of a complementary study of the solid phase are consistent with the chemical growth evolution observed in the gas phase. Grains and aggregates form in the gas phase and can be jet deposited on various substrates for ex situ analysis. Scanning Electron Microscopy images show that more complex mixtures produce larger aggregates. A mass spectrometry analysis of the solid phase has detected the presence of aminoacetonitrile, a precursor of glycine, in the THS aerosols. X-ray Absorption Near Edge Structure (XANES) measurements also show the presence of imine and nitrile functional groups, showing evidence of nitrogen chemistry. These complementary studies show the high potential of THS to better understand Titan's chemistry and the origin of aerosol formation.

Laboratory↗
NASA NTRS2019

A Novel Organic-Rich Meteoritic Clast from the Outer Solar System

The Zag meteorite which is a thermally-metamorphosed H ordinary chondrite contains a primitive xenolithic clast that was accreted to the parent asteroid after metamorphism. The cm-sized clast contains abundant large organic grains or aggregates up to 20 μm in phyllosilicate-rich matrix. Here we report organic and isotope analyses of a large (~10 μm) OM aggregate in the Zag clast. The X-ray micro-spectroscopic technique revealed that the OM aggregate has sp2 dominated hydrocarbon networks with a lower abundance of heteroatoms than in IOM from primitive (CI,CM,CR) carbonaceous chondrites, and thus it is distinguished from most of the OM in carbonaceous meteorites. The OM aggregate has high D/H and (sup 15)N/(sup 14)N ratios (δD = 2,370 ± 74‰ and δ(sup 15)N = 696 ± 100‰), suggesting that it originated in a very cold environment such as the interstellar medium or outer region of the solar nebula, while the OM is embedded in carbonate-bearing matrix resulting from aqueous activities. Thus, the high D/H ratio must have been preserved during the extensive late-stage aqueous processing. It indicates that both the OM precursors and the water had high D/H ratios. Combined with (sup 16)O-poor nature of the clast, the OM aggregate and the clast are unique among known chondrite groups. We further propose that the clast possibly originated from D/P type asteroids or trans-Neptunian Objects.

Yoko Kebukawa↗
DOE OSTI2023

Reinforcement learning based hybrid bond-order coarse-grained interatomic potentials for exploring mesoscale aggregation in liquid–liquid mixtures

Exploring mesoscopic physical phenomena has always been a challenge for brute-force all-atom molecular dynamics simulations. Although recent advances in computing hardware have improved the accessible length scales, reaching mesoscopic timescales is still a significant bottleneck. Coarse-graining of all-atom models allows robust investigation of mesoscale physics with a reduced spatial and temporal resolution but preserves desired structural features of molecules, unlike continuum-based methods. Here, we present a hybrid bond-order coarse-grained forcefield (HyCG) for modeling mesoscale aggregation phenomena in liquid–liquid mixtures. The intuitive hybrid functional form of the potential offers interpretability to our model, unlike many machine learning based interatomic potentials. We parameterize the potential with the continuous action Monte Carlo Tree Search (cMCTS) algorithm, a reinforcement learning (RL) based global optimizing scheme, using training data from all-atom simulations. The resulting RL-HyCG correctly describes mesoscale critical fluctuations in binary liquid–liquid extraction systems. cMCTS, the RL algorithm, accurately captures the mean behavior of various geometrical properties of the molecule of interest, which were excluded from the training set. The developed potential model along with the RL-based training workflow could be applied to explore a variety of other mesoscale physical phenomena that are typically inaccessible to all-atom molecular dynamics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2007

Coordinated Chemical and Isotropic Studies of IDPS: Comparison of Circumstellar and Solar GEMS Grains

Silicate stardust in IDPs and meteorites include forsterite, amorphous silicates, and GEMS grains [1]. Amorphous presolar silicates are much less abundant than expected based on astronomical models [2], possibly destroyed by parent body alteration. A more accurate accounting of presolar silicate mineralogy may be preserved in anhydrous IDPs. Here we present results of coordinated TEM and isotopic analyses of an anhydrous IDP (L2005AL5) that is comprised of crystalline silicates and sulfides, GEMS grains, and equilibrated aggregates embedded in a carbonaceous matrix. Nanometer-scale quantitative compositional maps of all grains in two microtome thin sections were obtained with a JEOL 2500SE. These sections were then subjected to O and N isotopic imaging with the JSC NanoSIMS 50L. Coordinated high resolution chemical maps and O isotopic com-positions were obtained on 11 GEMS grains, 8 crystalline grains, and 6 equilibrated aggregates.

Keller, L. P.↗
NASA NTRS1993

Stardust - Aggregation of cosmic dust analogues in microgravity

The condensation behavior of refractory grains near stars was investigated in an experiment which used a specially designed apparatus flown aboard NASA's Reduced Gravity aircraft. The apparatus consisted of a furnace in which a solid material (Zn or Mg) is vaporized into a temperature- and pressure-controlled chamber. Light scattered from the grains was recorded using a video system, and temperature measurements in the chamber were recorded throughout the microgravity period. The video and the temperature data are compared to models that predict the time dependence of the temperature- and vapor-pressure profiles to deduce the condensation behavior of the material. The joint U.S.-Italian program (named Stardust) for these experiments, designed to study refractory grain formation and aggregation, was set up to develop experimental and computational techniques for condensation studies under microgravity conditions.

Dell'aversana, P.↗
NASA NTRS1998

Catastrophic Collapse of Particulate Clouds: Implications From Aggregation Experiments in the USML-1 and USML-2 Glovebox

Experiments with electrostatic aggregation of well-dispersed (nominally, mono-dispersed), freely suspended particles in the United States Microgravity Laboratory (USML) Glovebox have determined that filamentary aggregates are a universal product of grain interactions in relatively dense particulate clouds. Aggregate growth from the experimental particle clouds primarily involves dipole-dipole interactions for nonconducting materials; dipole interactions account for both attraction between grains as well as the cohesive force that maintains the integrity of the filamentary structures. When a cloud undergoes a turbulent-to-quiescent transition after damping of fluid and ballistic grain motions, aggregation occurs almost instantaneously and the cloud is transformed into a population of "heavier" clusters of material with organized electrical structures. This abrupt transformation could initiate catastrophic gravitational collapse of certain regions of particulate clouds, thus controlling the longevity and fate of cloud systems as diverse as protoplanetary dust disks and volcanic eruption plumes.

Marshall, John↗