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NASA NTRSDate not supplied

Special Grain Boundaries in NiTi Shape Memory Alloys as Sites for Preferential Martensite Nucleation

Shape memory alloys (SMAs) exhibit unique thermomechanical properties due to a reversible martensitic transformation which can be controlled via chemical composition and microstructural features. Among the latter, grain boundaries (GBs) are key in determining how the transformation nucleates and propagates. We performed molecular dynamics simulations to examine the roles of a few special GBs in the austenite phase of NiTi. The GBs can act as preferential host sites for martensite nuclei which can substantially lower the nucleation barrier for transformation and thereby result in reduced thermal hysteresis, an important SMA property for cyclic actuation applications. Free energy calculations show that a characteristic of these GBs is a negative entropy which drops sharply close to the transformation temperature, an anomalous behavior for GBs with fixed composition which is a direct result of the martensitic transformation. We discuss implications of these results with respect to SMA processing techniques for achieving improved properties.

Gabriel Plummer↗
NASA NTRS2002

Toward an Improved Single-Particle Model for Large Irregular Grains

To interpret remote spectral observations, scattering and absorption in a particulate surface are simulated via radiative transfer models. The standard model for this purpose among the planetary science community is the Hapke model. This model (like many others) uses two parameters to characterize the optical behavior of individual grains in a particulate surface, the single-scattering albedo omega and phase function p(g). These terms describe, respectively, the quantity and the angular distribution of light scattered by an individual grain. Unfortunately, these parameters are strictly optical. They can be rather difficult to interpret in terms of more interesting particle properties such as grain sizes, shapes, and compositions, that a remote sensing experiment might seek to discover. An equivalent slab approximation is typically used to relate omega to the grain size and optical constants of the material. This approach can mimic the wavelength-dependent absorption behavior of irregular grains, as long as the imaginary index kappa is much less than 1, the shape is equant, and the grain size D is much larger than the wavelength lambda. Unfortunately, the equivalent slab approach provides no information about p(g), which also has a strong dependence on optical constants and particle form.

Grundy, W. M.↗
NASA NTRS1987

Long-wavelength absorption by fractal dust grains

The far-infrared and submillimeter absorption properties of random aggregates of conducting spheres have been studied as a possible source for the long-wavelength absorption of interstellar dust grains. The complex shapes of random aggregates have various fractal dimensions, depending on the process that forms them. The long wavelength absorption versus frequency is affected more by the shape of a conducting grain than by its composition.

Wright, Edward L.↗
NASA NTRS1993

Metallographic cooling rates of L-group ordinary chondrites

Shock metamorphism appears to be a ubiquitous feature in L-group ordinary chondrites. Brecciation and heterogeneous melting obscure much of the early history of this meteorite group and have caused confusion as to whether L chondrites have undergone thermal metamorphism within onion-shell or rubble-pile parent bodies. Employing the most recent shock criteria, we have examined 55 Antarctic and 24 non-Antarctic L chondrites in order to identify those which have been least affected by post-accretional shock. Six low-shock samples (those with shock grade less than S4) of petrographic types L3-L5 were selected from both populations and metallographic cooling rates were obtained following the technique of Willis and Goldstein. All non-Antarctic L6 chondrites inspected were too heavily shocked to be included in this group. However, 4 shocked L6 chondrites were analyzed in order to determine what effects shock may impose on metallographic cooling rates. Metallographic cooling rates were derived by analyzing the cores of taenite grains and then measuring the distance to the nearest grain edge. Taenites were identified using backscatter imaging on a Cameca SX-50 electron microprobe. Using backscatter we were able to locate homogeneous, rust-free, nearly spherical grains. M-shaped profiles taken from grain traverses were also used to help locate the central portions of selected grains. All points which contained phosphorus above detection limits were discarded. Plots of cooling-rate data are summarized and data from the high-shock samples are presented. The lack of coherency of cooling rates for individual samples is indicative of heterogeneous cooling following shock. The data confirms the statement expressed by numerous workers that extreme care must be taken when selecting samples of L chondrites for cooling-rate studies. Data for the 6 non-Antarctic low-shock samples are also presented. The samples display a general trend in cooling rates. The lowest metamorphic grade yielded the slowest cooling rates and an increase in grade follows an increase in cooling rate. This is the opposite relationship to that predicted by the onion-shell model.

Bennett, Marvin E.↗
DOE OSTI2023

Grain size estimation in fluvial gravel bars using uncrewed aerial vehicles: A comparison between methods based on imagery and topography

Abstract Grain size assessments are necessary for understanding the various geomorphological, hydrological and ecological processes that occur within rivers. Recent research has shown that the application of Structure‐from‐Motion (SfM) photogrammetry to imagery from uncrewed aerial vehicles (UAVs) shows promise for rapidly characterising grain sizes along rivers in comparison to traditional field‐based methods. Here, we evaluated the applicability of different methods for estimating grain sizes in gravel bars along a study reach in the Olentangy River in Columbus, Ohio. We collected imagery of these gravel bars with a UAV and processed those images with SfM photogrammetry software to produce three‐dimensional point clouds and orthomosaics. Our evaluation compared statistical models calibrated on topographic roughness, which was computed from the point clouds, and to those based on image texture, which was computed from the orthomosaics. Our results showed that statistical models calibrated on image texture were more accurate than those based on topographic roughness. This might be because of site‐specific patterns of grain size, shape and imbrication. Such patterns would have complicated the detection of topographic signatures associated with individual grains. Our work illustrates that UAV‐SfM approaches show potential to be used as an accessible method for characterising surface grain sizes along rivers at higher spatial and temporal resolutions than those provided by traditional methods.

Wong, Tyler↗
DOE OSTI2025

X-Ray Microtomography Measurements of Coevolving Particle Size and Shape

This study measures simultaneous changes in particle size and shape during grain crushing and proposes quantitative metrics to track their coevolving statistical distribution. Idealized granular materials with widely different initial particle shapes (i.e., spheres, quasi-ellipsoids, plates, and rods) are compressed oedometrically at vertical stress levels sufficient to induce particle breakage. X-ray microtomography and digital image analysis are then used to track changes in particle-scale characteristics. The observations indicate that more irregular particles tend to exhibit a higher degree of breakage compared to more spherical grains subjected to an equivalent stress level. Despite these differences, the measurements also indicate that all the tested particle sets approach a common attractor (expressed in terms of aspect ratio, flatness, and elongation), regardless of their initial morphology. A new shape evolution index is proposed to quantify such trends. With this new metric, it is shown that in all the tested materials, the particle shape evolves faster than size, especially for the more regular morphologies, thus implying that the shape tends to reach its attractor point before the grading reaches its ultimate particle size distribution. Furthermore, this finding underpins an ultimate stage of crushing-driven compression that occurs with particle size reduction but minimal shape changes (i.e., self-replicating shapes due to fractures).

Oedometric compression↗
DOE OSTI2024

A soft departure from jamming: the compaction of deformable granular matter under high pressures

Here, the high-pressure compaction of three-dimensional granular packings is simulated using a bonded particle model (BPM) to capture linear elastic deformation. In the model, grains are represented by a collection of point particles connected by bonds. A simple multibody interaction is introduced to control Poisson's ratio and the arrangement of particles on the surface of a grain is varied to model both high- and low-frictional grains. At low pressures, the growth in packing fraction and coordination number follows the expected behavior near jamming and exhibit friction dependence. As the pressure increases, deviations from the low-pressure power-law scaling emerge after the packing fraction grows by approximately 0.1 and results from simulations with different friction coefficients converge. These results are compared to predictions from traditional discrete element method simulations which, depending on the definition of packing fraction and coordination number, may only differ by a factor of two. As grains deform under compaction, the average volumetric strain and asphericity, a measure of the change in the shape of grains, are found to grow as power laws and depend heavily on the Poisson's ratio of the constituent solid. Larger Poisson's ratios are associated with less volumetric strain and more asphericity and the apparent power-law exponent of the asphericity may vary. The elastic properties of the packed grains are also calculated as a function of packing fraction. In particular, we find the Poisson's ratio near jamming is 1/2 but decreases to around 1/4 before rising again as systems densify.

36 MATERIALS SCIENCE↗
NASA NTRS1983

Supercooling and structure of levitation melted Fe-Ni alloys

A study has been made of the effect of supercooling, quenching rate, growth inhibitors, and grain refiners on the structure of levitation-melted Fe- 25 pct Ni alloys. A combination of three morphologies, dendritic, spherical, and mixed dendritic and spherical, is observed in samples superheated or supercooled by less than 175 K. At larger supercooling, however, only the spherical morphology is observed. The grain size and the grain boundary shape are found to be strongly dependent on the subgrain morphology but not on the quenching temperature. Considerable grain growth is evident in samples with spherical and mixed morphologies but not in the dendriitic samples. The average cooling rates during solidification and the heat transfer coefficients at the metal-quenching medium boundary are calculated. For samples solidified in water, molten lead, and ceramic molds, the heat transfer coefficients are 0.41, 0.52, and 0.15 w/sq cm, respectively.

Abbaschian, G. J.↗
DOE OSTI2023

Measuring scale-dependent shape anisotropy by coarse-graining: Application to inhomogeneous Rayleigh-Taylor turbulence

Here, we generalize the “filtering spectrum” to probe scales along different directions by spatial coarse-graining. This multidimensional filtering spectrum quantifies the spectral content of flows that are not necessarily homogeneous. From multidimensional spectral information, we propose a simple metric for shape anisotropy at various scales. The method is applied to simulations of two-dimensional (2D) and 3D Rayleigh-Taylor (RT) turbulence, which is inhomogeneous and anisotropic. We show that 3D RT has clear shape anisotropy at large scales with approximately 4:3 vertical to horizontal aspect ratio but tends toward isotropy at small scales as expected. In sharp contrast, we find that RT in 2D simulations, which are still the main modeling framework for many applications, is isotropic at large scales and its shape anisotropy increases at smaller scales where structures tend to be horizontally elongated. While this may be surprising, it is consistent with recent results that large-scale isotropy in 2D RT is due to the generation of a large-scale overturning circulation via an upscale cascade, while small-scale anisotropy is due to the stable stratification resultant from such overturning and the inefficient mixing in 2D.

42 ENGINEERING↗
DOE OSTI2024

Synthesizing realistic sand assemblies with denoising diffusion in latent space

Abstract The shapes and morphological features of grains in sand assemblies have far‐reaching implications in many engineering applications, such as geotechnical engineering, computer animations, petroleum engineering, and concentrated solar power. Yet, our understanding of the influence of grain geometries on macroscopic response is often only qualitative, due to the limited availability of high‐quality 3D grain geometry data. In this paper, we introduce a denoising diffusion algorithm that uses a set of point clouds collected from the surface of individual sand grains to generate grains in the latent space. By employing a point cloud autoencoder, the three‐dimensional point cloud structures of sand grains are first encoded into a lower‐dimensional latent space. A generative denoising diffusion probabilistic model is trained to produce synthetic sand that maximizes the log‐likelihood of the generated samples belonging to the original data distribution measured by a Kullback‐Leibler divergence. Numerical experiments suggest that the proposed method is capable of generating realistic grains with morphology, shapes and sizes consistent with the training data inferred from an F50 sand database. We then use a rigid contact dynamic simulator to pour the synthetic sand in a confined volume to form granular assemblies in a static equilibrium state with targeted distribution properties. To ensure third‐party validation, 50,000 synthetic sand grains and the 1542 real synchrotron microcomputed tomography (SMT) scans of the F50 sand, as well as the granular assemblies composed of synthetic sand grains are made available in an open‐source repository.

Vlassis, Nikolaos N.↗
DOE OSTI2022

Critical Shape for the Growth of Grain Boundary Twin Embryos in Mg and Mg Alloys: Crystal Plasticity Modeling

Application of polycrystalline hexagonal close packed (HCP) metals in engineering designs has been constrained by their anisotropic responses due to twinning and limited plasticity. In deformation, twins most often initiate at grain boundaries (GBs), and thicken and propagate across the grain. In this work, the GB twin embryos in Mg and Mg alloys, and the conditions that influence their propagation are investigated. Using a micromechanical crystal plasticity model, the role of embryo shape on the driving forces prevailing at the embryo boundaries that could support its expansion is studied. The modeled embryos are either planar, extending more in the shear direction than normal to the twin plane, or equiaxed. Results show that the thinner the embryo, the greater the driving forces for both thickening and forward propagation. Alloys with low prismatic-to-basal critical resolved shear stress (CRSS) ratios promote embryo thickening and large CRSS values for the slip mode that primarily accommodates the twin shear encourage propagation. The neighboring grains with orientations that enable local accommodation of the embryo twin shear by pyramidal slip promote forward propagation but have little effect on thickening. When two like embryos lie along the same GB, their paired interaction promotes forward propagation but hinders thickening.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Occurrence and possible significance of rare Ti oxides (Magneli phases) in carbonaceous chondrite matrices

Rare, ultrafine-grained Ti oxides (Ti3O5 and the Magneli phases, Ti5O9 and Ti8O15) have been identified by TEM in the CM2 carbonaceous chondrite, Bells, and a carbonaceous chondrite matrix clast from the Nilpena polymict ureilite. In both meteorites the Ti oxides occur in the matrix as isolated grains and clusters of two or more grains. They are euhedral in shape and have grain sizes of 0.05-0.3 micron. Magneli phases have been recently shown to be a common component in some interplanetary dust particles, but this is the first reported occurrence in a meteorite. The morphological properties and grain size of the Ti oxides are consistent with formation by vapor phase condensation either within the solar nebula or possibly in a presolar environment.

Brearley, Adrian J.↗
NASA NTRS1999

Dust on Mars: An Aeolian Threat to Human Exploration?

The NASA HEDS Program is duly concerned for human explorers regarding the potential hazard posed by the ubiquitous dust mantle on Mars. To evaluate properties of dust that could be hazardous to humans, the MPS 2001 Lander payload will include the Mars Environmental Compatibility Assessment (MECA) experiment. This includes optical and atomic-force microscopy to evaluate soil grains for shape and size, wet chemistry to evaluate toxic substances, electrometry to evaluate triboelectric charging, and test-material palets to evaluate electrostatic and magnetic adhesion, and the hardness/abrasiveness of soil grains; these experimental subcomponents are delivered samples by the camera-equipped robotic arm of the lander which will acquire material from depths of 0.5 to 1.0 m in the soil. Data returned by MECA will be of value to both the BEDS and planetary/astrobiology communities. Dust poses a threat to human exploration because the martian system does not hydrologically or chemically remove fine particles that are being continuously generated by thermal, aeolian, and colluvial weathering, and by volcanism and impact over billions of years. The dust is extremely fine-grained, in copious quantities, ubiquitous in distribution, continually mobile, and a source of poorly-grounded static charges -- a suite of characteristics posing a particulate and electrical threat to explorers and their equipment. Dust is mobilized on global and regional scales, but probably also unpredictably and violently at local scales by dust devils. The latter might be expected in great abundance owing to near surface atmospheric instability (dust devils were detected by Pathfinder during its brief lifetime). Preliminary laboratory experiments suggest that space-suit materials subjected to windblown dust may acquire a uniform, highly adhesive dust layer that is also highly cohesive laterally owing to electrostatic forces. This layer will obscure visibility through the helmet visor, penetrate joints and fabrics, change the thermal properties of the suit, and possibly affect electronic/electrical suit functions. It is paramount that future missions address the issue of interparticle forces, and in particular, the role played by ionizing radiation in affecting these forces on Mars.

Marshall, J.↗
NASA NTRS1999

Dust on Mars: An Aeolian Threat to Human Exploration?

The NASA HEDS Program is duly concerned for human explorers regarding the potential hazard posed by the ubiquitous dust mantle on Mars. To evaluate properties of dust that could be hazardous to humans, the NMS 2001 Lander payload will include the Mars Environmental Compatibility Assessment (MECA) experiment. This includes optical and atomic-force microscopy to evaluate soil grains for shape and size, wet chemistry to evaluate toxic substances, electrometry to evaluate triboelectric charging, and test-material palets to evaluate electrostatic and magnetic adhesion, and the hardness/abrasiveness of soil grains; these experimental subcomponents are delivered samples by the camera-equipped robotic arm of the lander which will acquire material from depths of 0.5 to 1.0 m in the soil. Data returned by MECA will be of value to both the hEDS and planetary/astrobiology communities. Dust poses a threat to human exploration because the martian system does not hydrologically or chemically remove fine particles that are being continuously generated by thermal, aeolian, and colluvial weathering, and by volcanism and impact over billions of years. The dust is extremely fine-grained, in copious quantities, ubiquitous in distribution, continually mobile, and a source of poorly-grounded static charges -- a suite of characteristics posing a particulate and electrical threat to explorers and their equipment. Dust is mobilized on global and regional scales, but probably also unpredictably and violently at local scales by dust devils. The latter might be expected in great abundance owing to near surface atmospheric instability (dust devils were detected by Pathfinder during its brief lifetime). Preliminary laboratory experiments suggest that space-suit materials subjected to windblown dust may acquire a uniform, highly adhesive dust layer that is also highly cohesive laterally owing to electrostatic forces. This layer will obscure visibility through the helmet visor, penetrate joints and fabrics, change the thermal properties of the suit, and possibly affect electronic/electrical suit functions. It is paramount that future missions address the issue of interparticle forces, and in particular, the role played by ionizing radiation in affecting these forces on Mars.

Marshall, J.↗
NASA NTRS1977

Performance evaluation of a quasi-microscope for planetary landers

Spatial resolutions achieved with cameras on lunar and planetary landers have been limited to about 1 mm, whereas microscopes of the type proposed for such landers could have obtained resolutions of about 1 um but were never accepted because of their complexity and weight. The quasi-microscope evaluated in this paper could provide intermediate resolutions of about 10 um with relatively simple optics that would augment a camera, such as the Viking lander camera, without imposing special design requirements on the camera of limiting its field of view of the terrain. Images of natural particulate samples taken in black and white and in color show that grain size, shape, and texture are made visible for unconsolidated materials in a 50- to 500-um size range. Such information may provide broad outlines of planetary surface mineralogy and allow inferences to be made of grain origin and evolution. The mineralogical descriptions of single grains would be aided by the reflectance spectra that could, for example, be estimated from the six-channel multispectral data of the Viking lander camera.

Burcher, E. E.↗
DOE OSTI2026

In-Situ Visualization of a Growing Brittle Crack in Aluminum Oxynitride Using Synchrotron X-Rays and the Double-Cleavage Drilled Compression Geometry

Brittle fracture is difficult to study in situ due to the speed of a growing crack and the often-catastrophic nature of failure in brittle materials. As a result, the influence of microstructural considerations, such as orientation, grain boundary locations, and strain field, on the crack path remains poorly understood. Presented in this study is a method addressing this knowledge gap, which utilizes the double-cleavage drilled compression geometry to achieve quasi-stable fracture in aluminum oxynitride (AlON). Synchrotron X-ray micro-computed tomography is used to characterize the crack shape and length, while high-energy diffraction microscopy provides information on the strains, orientations, and shapes of grains in the microstructure surrounding the crack tip. During testing, the crack grew in discrete and irregular jumps while the fracture toughness falls within reported ranges. The crack in AlON is found to have no greater tendency to crack intergranularly as compared to transgranularly, and grains which are cracked transgranularly do not display a trend in orientation or stress when compared to those around which the crack followed a grain boundary. The high resolution of the crack path and microstructural data provides a path forward for modeling and understanding 3D brittle fracture.

Gorske, Sara F.↗
DOE OSTI2023

Understanding process-microstructure-property relationships in laser powder bed fusion of non-spherical Ti-6Al-4V powder

Powder feedstock is a major cost driver in metal additive manufacturing (AM). Replacing the spherical powder with the cost-efficient non-spherical one can reduce the feedstock cost up to 50% and attract more interest to adopt AM in production and new alloy development. Here, for this paper, a comprehensive study was conducted to understand process-microstructure-property relationships in laser powder bed fusion of hydride-dehydride Ti-6Al-4V powder. We demonstrated that variation of laser scan speed had a significant impact on the grain structure, pore evolution and properties compared to laser power. Dynamic X-ray radiography showed that with decreasing scan speed at a constant laser power, a transition from conduction to keyhole mode laser processing occurred, in which a deeper melt pool at lower scan speed intensified texture. In other words, an increase in laser scan speed resulted in formation of the refined prior β grains with shape factor of ~5, lowering the anisotropy. Furthermore, the degree of variant selection was evaluated based on the analyzed texture as a function of laser power and scan speed. With increasing laser scan speed, the dominant α/α boundary type was altered from type 2 to 4 and the degree of variant selection was noticeably decreased. On the other hand, increasing laser power left the morphology of prior β grains, their size, and the dominant α/α boundary (type 4) unchanged, while the texture and anisotropy were intensified, and the degree of variant selection was slightly decreased. Finally, dependency of surface roughness and microhardness were discussed as a function of laser processing parameters.

variant selection↗