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NASA NTRS1992

Direct particle simulation on the Connection Machine CM-2

Particle simulation is a useful technique for analyzing low density flows. The Connection Machine CM-2 is a useful test bed for studying the fine-grain data objects decomposition and the coarse-grain domain decomposition single instruction multiple datastream (SIMD) approaches to particle simulation. Both approaches are investigated for the model problem of uniform flow through a channel and the algorithms required for the SIMD domain decomposition approach are presented. An unresolved issue with the domain decomposition approach is the effect of a poor partitioning on flows with real geometries. Initial results with the channel flow problem indicate that a poor partitioning has only a small detrimental effect on the overall performance.

Dagum, L.↗

DOE OSTI2026

Topology-Informed Design Rules for Deconstructable Thermoset Copolymer Networks

Existing models of thermoset deconstruction facilitated by incorporating cleavable comonomers rely on a mean-field reverse gel point paradigm, which predicts network dissolution once cleavable bonds reach a critical stoichiometric threshold, but does not account for where those bonds reside within the network architecture. Using reactive coarse-grained molecular dynamics simulations coupled with graph-theoretic analysis, we extend this stoichiometric picture to show that deconstructability is governed by the curing-imprinted network topology rather than stoichiometry alone. This topological organization is hierarchical: at the local scale, the elastic effectiveness of cross-link junctions determines which cross-links constitute the load-bearing scaffold; at the mesoscale, the cross-linking rate kinetically templates that scaffold into topologically modular communities─densely cross-linked clusters connected by sparse bridging strands that sustain network connectivity. Using betweenness centrality to identify nodes that disproportionately lie on intercommunity shortest paths, we demonstrate that effective deconstruction of the network into macromolecular fragments requires cleavable comonomers to intercept these high-centrality bridging strands. We further find that under uniform, disassortative comonomer incorporation, this topological requirement provides a mechanistic basis for extending the reverse gel point to incorporate network topology. We also show that modularity imposes a fundamental limit on fragment uniformity that persists even when the centrality requirement is met. Finally, we demonstrate that chain stiffness provides a nearly independent lever to suppress mechanically redundant cross-links and raise the glass transition temperature without significantly altering the deconstruction outcome. Together, these findings reframe the thermoset design space around network topology and provide actionable guidelines for engineering thermoset copolymers with predictable deconstructability and targeted thermomechanical performance.

coarse-grained molecular dynamics↗

NASA NTRS1974

Influence of gaseous hydrogen on Inconel 718

The embrittlement of Inconel 718 by exposure to 34.5 MN/sq m hydrogen at ambient temperature was found to be a function of both forming operation and heat treatment. The embrittlement, as measured by reduction of notch strength in hydrogen as compared to helium, was decreased by a fine-grain size and was most severe for coarse-grained structures containing a continuous or nearly continuous precipitate tentatively identified as Ni3Cb. Tests performed on unnotched specimens showed that the strain at which surface cracks initiate in 34.5 MN/sq m hydrogen was approximately 3% and was independent of prior forming operation or heat treatment.

Walter, R. J.↗

NASA NTRS1983

Mineralogy and petrology of chondrules and inclusions in the Mokoia CV3 chondrite

The inclusions and chondrules of the Mokoia CV3 chondrite are studied systematically and compared with those in the Allende meteorite. Five polished thin sections of Mokoia were examined by optical microscopy, backscattered scanning electron microscopy, and electronprobe microanalysis, and objects greater than about 100 microns in apparent diameter were measured and classified petrographically. Three major types of olivine chondrules are distinguished: igneous chondrules, which evidently crystallized from droplets of silicate melt; recrystallized chondrules, apparently metamorphosed at relatively high temperatures; and accretional aggregates, which are probably fragments of igneous chondrules. Refractory inclusions in Mokoia are generally similar to those found in Allende, although Mokoia inclusions include phyllosilicates rather than feldspathoids and melilite-rich Ca, Al-rich inclusions (CAIs) are more abundant in Allende. The small, fine-grained CAIs, which are more abundant than coarse-grained CAIs in both meteorites, are observed to represent aggregates of three distinct constituents: concentric objects, chaotic material and inclusion matrix. It is concluded that most of the CAIs probably formed during metamorphism, partial melting, and incomplete distillation of primitive dust aggregates heated in the solar nebula.

Cohen, R. E.↗

NASA NTRS1993

Petrogenesis of Apollo 12 mare basalts. Part 2: An open system model to explain the pigeonite basalt compositions

Original petrogenetic models suggested that the pigeonite basalts were the evolved equivalents of the olivine basalts. Rhodes et al. concluded that the olivine and pigeonite basalts were co-magmatic, but Neal et al. have demonstrated that these two basaltic groups are distinct and unrelated. The pigeonite suite is comprised of porphyritic basalts with a fine-grained ground mass and range continuously to coarse-grained microgabbros with ophitic to graphic textures. Although it was generally recognized that the pigeonite basalts were derived from the olivine basalts by olivine + minor Cr-spinel fractionation, the compositional gap between these groups is difficult to reconcile with such a model. Indeed, Baldridge et al. concluded that these two basaltic groups could not have been co-magmatic. In this paper, we suggest an open system AFC model for pigeonite basalt petrogenesis. The assimilant is lunar anorthositic crust and the r value used is 0.6. While the choice of assimilant composition is difficult to constrain, the modeling demonstrates the feasibility of this model.

Neal, Clive R.↗

NASA NTRS2010

Chemical Evolution of Presolar Organics in Astromaterials

Sub-micron, hollow organic globules reported from several carbonaceous chondrites, interplanetary dust particles, and comet Wild-2 samples returned by NASA?s Stardust mission are enriched in N-15/N-14 and D/H compared with terrestrial materials and the parent materials [1-4]. These anomalies are ascribed to the preservation of presolar cold molecular cloud material from where H, C, and N isotopic constraints point to chemical fractionation near 10 K [5]. An origin well beyond the planet forming region and their survival in meteorites suggests submicrometer organic globules were once prevalent throughout the solar nebula. The survival of the membrane structures indicates primitive meteorites and cometary dust particles would have delivered these organic precursors to the early Earth as well as other planets and satellites. The physical, chemical, and isotopic properties of the organic globules varies to its meteorite types and its lithologies. For example, organic globules in the Tagish Lake meteorite are always embedded in fined grained (poorly crystallized) saponite, and hardly encapsulated in coarse grained serpentine, even though saponite and serpentine are both main components of phyllosilicate matrix of the Tagish Lake meteorite. The organic globules are commonly observed in the carbonate-poor lithology but not in the carbonate-rich one. In Tagish Lake, isolated single globules are common, but in the Bells (CM2) meteorite, globules are mostly aggregated. We will review the evolutions of the organic globules from its birth to alteration in the parent bodies in terms of its own physical and chemical properties as well as its associated minerals.

Nakamura-Messenger, K.↗

DOE OSTI2026

Retention and surface morphology evaluation of fine-grain dispersion-strengthened tungsten for plasma-facing component applications

This study exposed novel fine-grain dispersion-strengthened tungsten (W) to high fluence, low energy deuterium (D) and helium (He) plasmas to evaluate how material microstructure and composition affect hydrogen retention and surface morphology. Tested materials included fine-grain dispersion-strengthened tungsten (DSW) with 3 wt% zirconium carbide (ZrC) dispersoids, fine-grain dense W without any dispersoids (FGW), and coarse-grained polycrystalline ‘ITER-grade’ W. Samples were exposed to D 2 + and He + plasmas at fusion-relevant fluences (∼10 25 m -2 ) and ion energies (75 eV) over a range of temperatures (200 °C, 300 °C, 450 °C for D, 850 °C for He). Helium ion microscopy was performed on the exposed samples to evaluate surface morphology changes and material integrity. After D plasma exposure, the ZrC dispersoids showed near-surface degradation at exposure temperatures above 300 °C, but no detrimental morphology changes were observed for the adjacent W grains. After He plasma-exposure, nano-structured fuzz formation was observed in the tungsten matrix of all samples. The ZrC dispersoids maintained their integrity despite the surrounding fuzz growth, with clear delineation between the W fuzz and dispersoid regions. Thermal desorption spectroscopy showed that ZrC DSW consistently retained more D than the FGW by about a factor of 2 across all temperatures. At 200 °C and 300 °C, the ITER-W displayed lower D retention than both the DSW and FGW, however at 450 °C ITER-W showed the highest retention, about 50% more than DSW. He retention was comparable across all samples, with the highest retention observed in the fine-grain W, only 26% higher than in ITER-W. These insights on retention behavior will inform further optimization of these novel fine-grained tungsten materials with and without dispersoid additives.

Dispersion-strengthened tungsten↗

NASA NTRS1982

Effects of cobalt on structure, microchemistry and properties of a wrought nickel-base superalloy

The effect of cobalt on the basic mechanical properties and microstructure of wrought nickel-base superalloys has been investigated experimentally by systematically replacing cobalt by nickel in Udimet 700 (17 wt% Co) commonly used in gas turbine (jet engine) applications. It is shown that the room temperature tensile yield strength and tensile strength only slightly decrease in fine-grained (disk) alloys and are basically unaffected in coarse-grained (blading) alloys as cobalt is removed. Creep and stress rupture resistances at 760 C are found to be unaffected by cobalt level in the blading alloys and decrease sharply only when the cobalt level is reduced below 8 vol% in the disk alloys. The effect of cobalt is explained in terms of gamma prime strengthening kinetics.

Jarrett, R. N.↗

NASA NTRS1991

Enstatite chondrites and achondrites as asteroidal resources

The highly reduced nature of the enstatite meteorites (chondrites and achondrites) differs from that of all other types of stony meteorites. The silicates in the enstatite meteorites contain almost no FeO. In addition, many normally lithophile elements such as Na, Ca, Mg, Cr, and Ti display chalcophilic behavior. A study of the chemistry and mineralogy of the enstatite meteorites was undertaken to determine their resource potential. On average, about 99 percent of the volume of an enstatite achondrite, or aubrite, consists of only four silicate minerals: enstatite, Na-rich plagioclase, diopside, and forsterite, with enstatite being by far the most abundant mineral. The remaining one percent of the volume consists of troilite, kamacite, and trace amounts of oldhamite, daubreelite, ferromagnesian albandite, and schreibersite. Thus, the aubrites can be considered as a possible source for large quantities of Mg, Si, and O, but are of little interest as a source of anything else. The enstatite chondrites appear to be more promising candidates for resource utilization. The chondrites are generally divided into two groups: EH (high iron, fine-grained, with abundant chondrules); and EL (low iron, coarse-grained, with little or no evidence of chondrules). Metallic Ni-Fe makes up roughly 20-25 weight percent of each type of enstatite chondrite. These meteorites are also a good source of nitrogen. This is due in part to the presence of osbornite and sinoite. The latter mineral is restricted to EL chondrites, which typically have a higher bulk nitrogen content than the EH chondrites. Three valuable metals, Cr, Mn, and Ti, are concentrated in a few distinct sulfide phases in the enstatite chondrites. These sulfide phases are troilite and niningerite in EH chondrites and troilite, daubreelite, and ferroan alabandite in EL chondrites.

Hutson, M. L.↗

NASA NTRS2002

Fine-Grained Rims in the Allan Hills 81002 and Lewis Cliff 90500 CM2 Meteorites: Their Origin and Modification

Antarctic CM meteorites Allan Hills (ALH) 8 1002 and Lewis Cliff (LEW) 90500 contain abundant fine-grained rims (FGRs) that surround a variety of coarse-grained objects. FGRs from both meteorites have similar compositions and petrographic features, independent of their enclosed objects. The FGRs are chemically homogeneous at the 10 m scale for major and minor elements and at the 25 m scale for trace elements. They display accretionary features and contain large amounts of volatiles, presumably water. They are depleted in Ca, Mn, and S but enriched in P. All FGRs show a slightly fractionated rare earth element (REE) pattern, with enrichments of Gd and Yb and depletion of Er. Gd is twice as abundant as Er. Our results indicate that those FGRs are not genetically related to their enclosed cores. They were sampled from a reservoir of homogeneously mixed dust, prior to accretion to their parent body. The rim materials subsequently experienced aqueous alteration under identical conditions. Based on their mineral, textural, and especially chemical similarities, we conclude that ALH 8 1002 and LEW 90500 likely have a similar or identical source.

Hua, X.↗

NASA NTRS2008

Transmission Electron Microscopy of Cometary Residues from Micron-Sized Craters in the Stardust Al-Foils

We report Transmission Electron Microscopy (TEM) investigations of micro-craters that originated from hypervelocity impacts of comet 81P/Wild 2 dust particles on the aluminium foil of the Stardust collector. The craters were selected by Scanning Electron Microscopy (SEM) and then prepared by Focused Ion Beam (FIB) milling techniques in order to provide electron transparent cross-sections for TEM studies. The crater residues contain both amorphous and crystalline materials in varying proportions and compositions. The amorphous component is interpreted as resulting from shock melting during the impact and the crystalline phases as relict minerals. The latter show evidence for shock metamorphism. Based on the residue morphology and the compositional variation, the impacting particles are inferred to have been dominated by mixtures of submicron olivine, pyroxene and Fe-sulfide grains, in agreement with prior results of relatively coarse-grained mineral assemblages in the aerogel collector.

Leroux, Hugues↗

NASA NTRS2009

Mineralogy of the Almahata Sitta Ureilite

Mineralogy & Petrography: Almahata Sitta, deriving from the asteroid 2008 TC3, is a coarse-grained- to porous, fine-grained, fragmental breccia with subrounded mineral fragments and olivine aggregates embedded in a cataclastic matrix of ureilitic material. Mineral fragments include polycrystalline olivine, low-calcium, pigeonite, and augite. Abundant carbonaceous aggregates containing graphite, microdiamonds and aliphatics. Kamacite, Cr-rich troilite, silica and schreibersite are abundant. The compositional range of the silicates is characteristic of the ureilites as a group, but unusually broad for an individual ureilite. The dense lithology is typical for ureilites, but the porous lithology is anomalous. In the porous lithology pore walls are largely coated by crystals of olivine. Classification: Almahata Sitta is an anomalous, polymict eucrite. Anomalous features include large compositional range of silicates, high abundance and large size of pores, crystalline pore wall linings, and fine-grained texture. Tomography reveals that the pores define thin, discontinuous "sheets" connected in three dimensions, suggesting that they outline grains that have been incompletely welded together. The crystals lining the pore walls are probably vapor phase deposits. Therefore Almahata Sitta may represent an agglomeration of coarse- to fine-grained, incompletely reduced pellets formed during impact, and subsequently welded together at high temperature.

Zolensky, Michael E.↗

DOE OSTI2024

Evaluation of Advanced Phased-Array Techniques: Interim Results [Slides]

Report: “Evaluation of Advanced Phased-Array Techniques: Interim Results”, August 2023 ML23216A009, PNNL-34622 Results showed that detection rate drops as microstructures/materials become more complex Standard PA had the highest detection rates overall Detection rates in the CASS-CASS mockups were lowest overall FMC had the most accurate length sizing in the fine-grained WSS mockups. All methods struggled with length sizing in coarse-grained mockups SNR vs method depended on the specimen type SNR was consistently high with standard PA SNR was consistently the lowest with PWI FMC performed best on fine-grained WSS A lack of data received from some Round Robin participants resulted in low statistics for many of the analyses.

42 ENGINEERING↗

DOE OSTI2024

Evaluation of Advanced Phased-Array Techniques: Interim Results [Slides]

42 ENGINEERING↗

NASA NTRS1988

Metal with anomalously low Ni and Ge concentrations in the Allan Hills A77081 winonaite

The Ge content of metal in the Allan Hills A77081 winonaite was determined by high-sensitivity electron microprobe analysis. By optimizing analytical conditions for Ge determination, a detection limit of about 75 ppm could be achieved. In A77081 some small kamacite grains contain less Ni and Ge and more Co than coarse-grained metal. These small grains are always associated with sulfide, raising the possibility that anomalous metal is related to eutectic melting. However, when published partition coefficients for Ni and Ge in the Fe-Ni-S system are used to model fractionation of these elements during eutectic melting, one finds that secondary metal should be enriched in Ni and depleted in Ge. Thus, the positive Ni-Ge correlation found in this study is the opposite of the expected trend. No explanation for this discrepancy has yet been found. Nonetheless, the existence of anomalous metal is an indication that A77081, and probably other winonaites as well, have undergone some fractionation. This supports the notion that the high-temperature history of winonaites is related to the formation of IAB iron meteorites, whose silicate inclusions are very similar to winonaites.

Kracher, Alfred↗

NASA NTRS2017

Ion Microprobe Measurements of Comet Dust and Implications for Models of Oxygen Isotope Heterogeneity in the Solar System

The oxygen isotopic compositions of anhydrous minerals in carbonaceous chondrites reflect mixing between a O-16-rich and O-17, O18-rich reservoir. The UV photodissociation of CO (i.e. selfshielding) has been proposed as a mass-independent mechanism for producing these isotopically distinct reservoirs. Self-shielding models predict the composition for the CO gas reservoir to be O-16-rich, and that the accreting primordial dust was in isotopic equilibrium with the gaseous reservoir [1, 2]. Self-shielding also predicts that cometary water, presumed to represent the O-17, O-18-rich reservoir, should be enriched in O-17 and O-18, with compositions of 200 -1000per mille, and that the interaction with this O-17, O-18-rich H2O reservoir altered the compositions of the primordial dust toward planetary values. The bulk composition of the solar nebula, which may be an approximation to the 16O-rich gaseous reservoir, has been constrained by the Genesis results [3]. However, material representing the O-17, O-18-rich end-member is rare [4], and dust representing the original accreting primordial dust has been challenging to conclusively identify in current collections. Anhydrous dust from comets, which accreted in the distal cold regions of the nebula at temperatures below approximately 30K, may provide the best opportunity to measure the oxygen isotope composition of primordial dust. Chondritic porous interplanetary dust particles (CP-IDPs) have been suggested as having cometary origins [5]; however, until direct comparisons with dust from a known comet parent body were made, link between CP-IDPs and comets remained circumstantial. Oxygen isotope analyses of particles from comet 81P/Wild 2 collected by NASA's Stardust mission have revealed surprising similarities to minerals in carbonaceous chondrites which have been interpreted as evidence for large scale radial migration of dust components from the inner solar nebula to the accretion regions of Jupiter- family comets [6]. These studies have been largely focused on the coarse-grained terminal particles extracted from aerogel collectors; hypervelocity capture into aerogel resulted in fine-grained material that was melted and intimately mixed with the SiO2 capture medium. Hypervelocity impacts into Al foils surrounding the aerogel tiles produced impact craters that captured material from the impactor without significant oxygen contamination, allowing for analysis of both the coarse and fine-grained components of the Wild 2 dust. To date, no particles with definitive hydrated mineralogy have been observed in Stardust samples, though this may be a result of alteration due to hypervelocity capture. High-carbon hydrated CS-IDPs have been suggested as resulting from the aqueous alteration of CP-IDPs [7], and may retain evidence for interaction with O-17, O-18-enriched "cometary" water predicted by CO self-shielding. Here we present results of oxygen isotope measurements of twelve Stardust foil craters and four C-rich hydrated IDPs [8, 9], and discuss implications for models of oxygen isotope heterogeneity in the early solar system.

Snead, C. J.↗

DOE OSTI2025

Taking three-dimensional x-ray diffraction (3DXRD) from the synchrotron to the laboratory scale

Three-dimensional x-ray diffraction (3DXRD), a rotating x-ray diffraction technique, is a powerful tool for studying the micromechanical behavior of polycrystalline materials, capable of measuring the volume, position, orientation, and strain of thousands of grains simultaneously. However, its application has been historically limited to synchrotron facilities. Here, we present the first demonstration of laboratory-scale 3DXRD (Lab-3DXRD) using a liquid-metal-jet source. Lab-3DXRD achieves accuracy comparable to synchrotron-based 3DXRD, as validated against laboratory diffraction contrast tomography (LabDCT) and synchrotron-3DXRD. Over 96% of the grains detected with Lab-3DXRD are cross-validated, particularly for coarse grains (> ~60 μm), while the results suggest that finer grains should be accessible by taking advantage of high-efficiency detectors. We further demonstrate that its sensitivity to finer grains is enhanced by incorporating pre-characterization into the analysis. This study establishes Lab-3DXRD as a practical alternative to synchrotron techniques, making 3DXRD accessible to a wider range of academic and industrial researchers.

characterization and analytical techniques↗

NASA NTRS1994

Constraints on chondrule agglomeration from fine-grained chondrule rims

Fine-grained rims around chondrules, Ca,Al-rich inclusions, and other coarse-grained components occur in most types of unequilibrated chondrites, most prominently in carbonaceous chondrites of the CM group. Based on mineralogical and petrographic investigations, it was suggested that rim structures in unequilibrated ordinary chondrites could have formed in the solar nebula by accretion of dust on the surfaces of the chondrules. Dust mantles in CM chondrites seem to have formed by accretion of dust on the surfaces of chondrules and other components during their passage through dust-rich regions in the solar nebula. Concentric mantles with compositionally different layers prove the existence of various distinct dust reservoirs in the vicinity of the accreting parent body. Despite mineralogical and chemical differences, fine-grained rims from other chondrite groups principally show striking similarities to dust mantle textures in CM chondrite. This implies that the formation of dust mantles was a cosmically significant event like the chondrule formation itself. Dust mantles seem to have formed chronologically between chondrule-producing transient heating events and the agglomeration of chondritic parent bodies. For this reason the investigation of dust mantle structures may help to answer the question of how a dusty solar nebula was transformed into a planetary system.

Metzler, K.↗