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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Variations of organic functional chemistry in carbonaceous matter from the asteroid 162173 Ryugu

Abstract Primordial carbon delivered to the early earth by asteroids and meteorites provided a diverse source of extraterrestrial organics from pre-existing simple organic compounds, complex solar-irradiated macromolecules, and macromolecules from extended hydrothermal processing. Surface regolith collected by the Hayabusa2 spacecraft from the carbon-rich asteroid 162173 Ryugu present a unique opportunity to untangle the sources and processing history of carbonaceous matter. Here we show carbonaceous grains in Ryugu can be classified into three main populations defined by spectral shape: Highly aromatic (HA), Alkyl-Aromatic (AA), and IOM-like (IL). These carbon populations may be related to primordial chemistry, since C and N isotopic compositions vary between the three groups. Diffuse carbon is occasionally dominated by molecular carbonate preferentially associated with coarse-grained phyllosilicate minerals. Compared to related carbonaceous meteorites, the greater diversity of organic functional chemistry in Ryugu indicate the pristine condition of these asteroid samples.

Science & Technology - Other Topics↗
DOE OSTI2021

Microstructure and Mechanical Properties of the AA7075 Tube Fabricated using Shear Assisted Processing and Extrusion (ShAPE)

Shear Assisted Processing and Extrusion (ShAPE) experimental setup and tooling were adopted for extruding thin-walled AA7075 aluminum tube from as-cast non-homogenized billet material in a single run. The mechanical and microstructural characterizations were performed on the extrudate in the as-extruded condition without subsequent heat treating. It was shown that the ShAPE process developed a significantly refined microstructure with uniform and almost equiaxed grain structure on both hoop and axial cross-sections of the extrudate as well as through the thickness of the material. The pole figures and inverse pole figures of the EBSD data showed an strong shear texture development, and it was found out that axial shear is the dominant deformation mechanism in the regions near the inner surface of the tube, while combined axial and torsional shears are the two dominant modes of deformation near the outer surface of the extrudate. As for the mechanical properties, there was an increase of 150% and 73% in the yield and ultimate strengths of the tube produced using ShAPE process, respectively, and a 18% decrease in maximum uniform plastic elongation compared to the conventionally extruded AA7075-O tube.

Shear Assisted Processing and Extrusion, Friction ↗
DOE OSTI2020

Reshaping of Truncated Pd Nanocubes: Energetic and Kinetic Analysis Integrating Transmission Electron Microscopy with Atomistic-Level and Coarse-Grained Modeling

Stability against reshaping of metallic fcc nanocrystals synthesized with tailored far-from-equilibrium shapes is key to maintaining optimal properties for applications such as catalysis. Yet Arrhenius analysis of experimental reshaping kinetics, and appropriate theory and simulation, is lacking. As such, we use TEM to monitor the reshaping of Pd nanocubes of ~25 nm side length between 410 °C (over ~4.5 h) and 440 °C (over ~0.25 h), extracting a high effective energy barrier of E eff ≈ 4.6 eV. We also provide an analytic determination of the energy variation along the optimal pathway for reshaping that involves transfer of atoms across the nanocube surface from edges or corners to form new layers on side {100} facets. The effective barrier from this analysis is shown to increase strongly with the degree of truncation of edges and corners in the synthesized nanocube. Theory matches experiment for the appropriate degree of truncation. In addition, we perform simulations of a stochastic atomistic-level model incorporating a realistic description of diffusive hopping for undercoordinated surface atoms, thereby providing a visualization of the initial reshaping process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Grain Structure Evolution in Fe-6Si During Directed Energy Deposition

The purpose of this study is to explore the effect of additive manufacturing (AM) process variables on the grain structure of Fe-6Si, a soft-magnetic alloy used in electrical machine and grid applications. Samples were fabricated with laser engineered net shaping (LENS) with varying inter-pass timing and numbers of unidirectional passes. Here the results show that the grain structure was affected by both solidification and solid-state grain growth mechanisms. A model of the LENS process suggests that, although shorter inter-pass times encourage greater nucleation of new grains and therefore grain refinement during solidification, these conditions also help maintain high solid-state temperatures that allow for grain boundary motion to keep pace with the build rate. Grains formed under these conditions may span multiple layers, and the high-temperature gradient promotes directional growth. This new understanding of these microstructure evolution mechanisms will aid in using process conditions to control the competition between solidification and solid-state grain growth to create grain structures that may not be possible with conventional processing.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Physical and dynamical characterization of hyperbolic comet C/2017 U7 (PANSTARRS)

Here we present here a dynamical and observational study of the comet C/2017 U7 (PANSTARRS). This comet was discovered in 2017 and found to have a hyperbolic orbit. Our dynamical analysis shows that the object has probably originated in the Oort cloud, however an interstellar origin cannot be discarded. The observations were obtained in 2018 and 2019 using the Goodman High Throughput Spectrograph (GHTS) at the SOAR telescope. We obtained visible spectra covering the wavelength range of 0.5 - 0.9 μm and also images in the SDSS filters system. Both the low-resolution reflectance spectrum and the reflectance spectra derived from the SDSS filters show an atypical band at ~ 0.595 μm. We conducted a comparative study of the colors and reflectance spectra of different small body populations (e.g., comets, Centaurs, and trans-Neptunian objects or TNOs) from the literature and concluded that the spectra and the colors of this comet are atypical, showing only some overlap with those of some known members of the TNOs and Centaurs, within the large uncertainties of the measurements of those populations. It is found that the feature and overall spectral shape can be reproduced by laboratory spectra of kerite, a template for aliphatic-rich hydrocarbons that has been previously identified in NIR cometary spectra absorptions. It is tentatively proposed that the unusual spectral shape is the result of a particle size distribution of dust grains in the coma or on the surface that has arisen due to a low grain ejection velocity from the surface and large nucleus size.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Multiscale characterization of an additively manufactured property graded Ni-base alloy for molten-salts\supercritical-CO 2 heat exchangers

The sequential optimization of strength and corrosion resistance in conventional alloy design procedures often results in a tradeoff between environmental degradation and optimal mechanical properties. A concurrent optimization of these two material properties is essential to efficiently develop high temperature alloys that can withstand harsh environments increasingly required for carbon–neutral energy technologies. In this work, we demonstrate the feasibility of directed energy deposition (DED) to manufacture a dual-corrosion resistant Ni-based alloy (Hastelloy N and Haynes 282), that meets the high temperature operation requirements of a molten-salts\supercritical-CO 2 (sCO 2 ) heat exchanger. A combination of multiscale characterization techniques and computational thermodynamics was employed to evaluate the cracking susceptibilities during fabrication and predict the microstructural stability of the material. Very good agreement was achieved between the observed and predicted phases and phase fractions of the as-printed material. A careful characterization of the transition zone between the two terminal alloy chemistries revealed potential precipitation strengthening (γ') on the Hastelloy N side while columnar-shaped M 23 C 6 and γ' precipitates that formed at grain boundaries (GBs) of the transition zone likely minimized the local interfacial energies. Both these mechanisms are believed to increase the interfacial stability but their performance at high temperatures requires further investigation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Microstructure-Based Modeling of Laser Beam Shaping During Additive Manufacturing

Recent experimental studies suggest the use of spatially extended laser beam profiles as a strategy to control the melt pool during laser powder bed fusion (LPBF) additive manufacturing. However, linkages connecting laser beam profiles to thermal fields and resultant microstructures have not been established. Herein, we employ a coupled thermal transport-Monte Carlo model to predict the evolution of temperature fields and grain microstructures during LPBF using Gaussian, ring, and Bessel beam profiles. In addition, simulation results reveal that the ring-shaped beam yields lower temperatures compared with the Gaussian beam. Owing to the small melt pool size when using the Bessel beam, the grains are smaller in size and more equiaxed compared to those using the Gaussian and ring beams. Our approach provides future avenues to predict the impact of laser beam shaping on microstructure development during LPBF.

36 MATERIALS SCIENCE↗
DOE OSTI2024

DEM simulation of the compression of crushable sand: does the initial particle shape matter?

Advances in DEM modeling, combined with high-resolution X-ray tomography, opened the way for computer models based on virtual replicas of the particles which preserve nearly all facets of their geometry. This leads to simulation advantages, but also high computational costs. Here we tackle a question stemming from this trend: how accurate should particle models be to ensure accuracy? We address this question for the case of the compression of crushable sand. LS-DEM was used to generate three models of Ottawa sand (exact replicas, ellipsoids, and spheres) from digital images of its grains. Compression-induced crushing was simulated for all sets by tracking evolving size and shape distribution. The results confirm that exact replicas provide the closest match of the measurements. However, intermediate degrees of rendering (e.g. ellipsoids preserving volume and aspect ratio of the real grains) led to satisfactory results only marginally different from those of exact replicas. In conclusion, these findings provide an example of the protocols that may be followed to identify the optimal degree of particle approximation which should be regarded as mandatory to achieve a conscious, sustainable use of computational resources.

58 GEOSCIENCES↗
DOE OSTI2021

Hot rolling of ZK60 magnesium sheet with isotropic tensile properties from tubing made by Shear Assisted Processing and Extrusion (ShAPE)

In order to evaluate the viability of ShAPE processed Mg alloys as a feedstock for fabricating lightweight sheet material, tubes consisting of ShAPE-extruded Mg alloy ZK60 were flattened into plates and hot rolled at 450 °C to reductions of 37%, 68%, and 93%. The mechanical properties and microstructure of the rolled material were characterized through tensile testing and electron backscattered diffraction (EBSD). ZK60 specimens rolled to 68% reduction had tensile properties similar to published properties of rolled ZK60 sheets fabricated using conventional processes, and exhibited negligible tensile anisotropy referenced to the rolling direction. Additional rolling from 68% to 93% reduced the ultimate tensile stress in the rolling direction from 341.74±5.96 MPa to 260.76±22.4MPa. The yield stress and elongation to failure of the material also decreased from 292.16±1.11 MPa to 256.93±18.4 MPa and 6.95±1.94% to 3.38±0.51%, respectively, but negligible little anisotropy was observed with respect to loading direction. EBSD mapping indicated that the as-extruded ZK60 had texture rotated away from the basal direction which developed into a strong basal texture over numerous hot rolling steps. This evolution in texture has been observed after rolling for hot-rolled ZK60 fabricated through conventional extrusion processes. The initial grain structure was found to have experienced noticeable twinning from flattening the tube into plate. After hot rolling, the grain structure became more equiaxed, but the average grain diameter did not change appreciably from 5.15 ± 3.39 µm in the ShAPE extruded material, to 5.27 ± 12.44 µm in the 93% hot rolled sheet. This response to hot rolling is similar to the response of ZK60 fabricated using other methods such as Equal Channel Angular Processing (ECAP). Therefore, this work demonstrates ShAPE has the potential as an alternative method to producing feedstock for Mg alloy sheets. Modifications to the experimental procedure which could lead to improvements in observed properties are briefly discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Uncovering the role of nanoscale precipitates on martensitic transformation and superelasticity

Here we characterize the role of coherent nanoscale B2 Ni 50 Al 50 precipitates on the temperature- and stress-induced martensitic phase transformation in nanocrystalline Ni 63 Al 37 shape memory alloys using multi-million-atoms molecular dynamics (MD) simulations. We studied two types of precipitates: one with single crystal precipitates (SXP) and a second where grain boundaries cut through precipitates (PXP). Simulations reveal that the presence of B2 precipitates stabilizes the cyclic flag-shaped stress-strain response, characteristic of superelasticity, and reduces remnant strain. In contrast, single-phase nanocrystalline Ni 63 Al 37 exhibits degradation of the reverse transformation during cyclic loading and, eventually, incomplete reversible transformation within a few cycles. This is consistent with previous experimental findings of ultra-low fatigue in Ni-Ti-Cu alloys with Ti 2 Cu precipitates. The simulations reveal that the presence of precipitates significantly improves the reversibility of the transformation by acting as elastic zones that partially shield the martensitic transformation and drive the reverse transformation. A detailed analysis of the MD trajectories reveals that the martensitic transformation of the matrix induces ultra-large elastic deformation in some of the B2 precipitates (approximately 12%) to the point of resulting in a martensite-like atomic structure.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Breaking Boundaries: Deformation Processing Techniques for the Next Generation of Lightweight and High-Strength Materials

This chapter emphasizes the importance of solid phase processing (SPP) techniques in developing advanced materials for lightweight and high-strength applications. SPP methods like friction stir welding, and shear-assisted processing can create new microstructures and process materials in novel ways. SPP can enhance mechanical performance via various strengthening mechanisms like solid solution supersaturation, Hall-Petch and Orowan effects, and misorientation angle grain boundaries. The potential for in situ alloying or joining of components with near-net shape and low energy inputs, even for immiscible systems with high enthalpies of mixing, is also discussed. The chapter explores the concept of metastability through microstructural manipulation and the role of advanced characterization for atomistic understanding. The formation of metastable grain, shear-driven chemical mixing, and transformation pathways are also discussed. Finally, the emerging trends for SPP and the challenges that need to be addressed before realizing the full potential of these techniques are presented.

Lastovich, Michael↗
DOE OSTI2020

Effect of pH on the Activity of Ice-Binding Protein from Marinomonas primoryensis

The ability of an ice-binding protein (IBP) from Marinomonas primoryensis (MpIBP) to influence ice crystal growth and structure in nonphysiological pH environments was investigated in this work. The ability for MpIBP to retain ice interactivity under stressed environmental conditions was determined via (1) a modified splat assay to determine ice recrystallization inhibition (IRI) of polycrystalline ice and (2) nanoliter osmometry to evaluate the ability of MpIBP to dynamically shape the morphology of a single ice crystal. Circular dichroism (CD) was used to relate the IRI and DIS activity of MpIBP to secondary structure. The results illustrate that MpIBP secondary structure was stable between pH 6 and pH 10. It was found that MpIBP did not interact with ice at pH=4 or pH=13. At 6=pH=12 MpIBP exhibited a reduction in grain size of ice crystals as compared to control solutions and demonstrated dynamic ice shaping at 6=pH=10. The results substantiate that MpIBP retains some secondary structure and function in non-neutral pH environments; thereby, enabling its potential utility in nonphysiological materials science and engineering applications.

antifreeze proteins↗
DOE OSTI2024

Interacting dust grains in complex plasmas: Ion wake formation and the electric potential

Dust grains have been used as minimally invasive probes to determine plasma parameters including the plasma density, temperature, and electric field in a plasma discharge. However, the dust grains in a plasma generate local potential disturbances due to the collection of charge and the subsequent electrostatic interactions between the dust and charged plasma particles. Dust grains in close proximity to one another exhibit interesting non-reciprocal interactions and self-organize into structures such as one-dimensional filamentary chains, two-dimensional “zigzags,” and three-dimensional helices, among others. The formation of these structures suggests that although the dust grains may be less invasive than traditional plasma probes, the disturbance to the local plasma environment introduced by dust grains is non-trivial. Commonly used analytic forms of the electric potential describing complex plasmas have failed to resolve the near-dust region, and as a result are insufficient to provide insight about the formation of complex dust structures. Here, we use an N-body simulation to compute the electric potential from ion densities near various dust grain configurations. We provide an alternative description to the standard analytic model for the electric potential of dust and ion wakes based on a Gaussian shaped cloud of ions. The electric potential obtained from simulations is used to identify minimum energy configurations for two and three dust grains. It is further demonstrated that the minimum potential region identified for N dust grains and their associated ion wakes does not predict the minimum-energy configuration of N + 1 dust grains.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Ultrafine-grained Al-Mg-Zr Alloy Processed by Shear-Assisted Extrusion with High Thermal Stability

Shear-assisted processing and extrusion (ShAPE) is used to consolidate Al-4.2Mg-1.6Zr-0.25Si-0.1Fe (wt.%) powders. The extruded alloy exhibits: (i) near-zero porosity; (ii) an attractive combination of tensile yield strength (~220 MPa), ultimate strength (330 MPa) and elongation (>20%); and (iii) excellent thermal stability at 400 ºC. The ultra-fine grain size in the gas-atomized powders – created and stabilized by primary L12-Al3Zr submicron precipitates - is maintained after consolidation and subsequent exposure at 400 ºC, contributing twice as much to strength as Mg in solid-solution. Electron microscopy reveals the microstructure of the L12-Al3Zr precipitates, and other precipitates (Mg2Si and Al3Fe) and dispersoids (oxides).

ShAPE, Friction Extrusion, aluminum powder, Shear ↗
DOE OSTI2025

Mitigate Stress Corrosion Cracking (SCC) in High-strength Al Castings (CRADA 508)

Development of high strength, corrosion resistant, aluminum alloys is important to a number of industries, including automotive, aerospace, power, etc. Understanding how processing methods such as casting, chemistry, additives and recycle content affect an alloy’s microstructure and performance in real world environments is crucial to their implementation. One major concern is how the repeated exposure to saline solutions can be detrimental to the structural integrity of aluminum alloy components. This study was undertaken as a collaboration between Eck Industries and PNNL to investigate the stress corrosion cracking (SCC) and corrosion behavior of aluminum alloys. This work examines the SCC response of three different materials set. First is cast A206 Al alloy produced by three different casting techniques (i.e., permanent mold, and sand casting with and without chill) and with or without nano forming additives as potential grain refiners. The second materials set comprises Al alloy tubes extruded by PNNL’s ShAPE process and produced using raw material with three different ratios of twitch and pre-consumer Al 6061 scrap. Finally, the third materials set comprises two Al-Si-Mg-Fe alloys with controlled Si% and Fe% to mimic recycle grade Al alloys. The corrosion behavior of these materials was characterized using SCC testing and scanning electrochemical cell microscopy (SECCM) technique; mechanical behavior was characterized using tensile testing, and microstructure was characterized using optical and electron microscopy techniques. Of the A206 Al alloys, the samples with nano forming additives performed poorly compared to those without. The best SCC performance (i.e. least degradation in mechanical properties) was demonstrated by A206 alloy sand cast with chill while the permanent mold sample showed the worst SCC performance. The SECCM was performed on A206 alloy sand cast with chill to understand the effect of microstructure and determine the location-dependent corrosion properties on grain boundaries (GB) and inside grains (IG) on the sample. The corrosion potential and current measured on GB and IG at various points on the sample established that the GB locations are more cathodic and corrosive than the IG locations. Further work needs to be conducted to investigate the mechanisms behind the observed dependence of SCC on casting technique and nano forming additives. Among the ShAPE extruded tubes, SECCM data suggests the decreasing order of tendency to corrode as follows: 100% twitch > 75% twitch > 50% twitch. Finally, both variants of the Al-Si-Mg-Fe alloys showed a large volume fraction of Fe- and Si-containing intermetallics and additional work is needed to discern differences in their respective corrosion responses. In summary, correlating local electrochemical behavior (e.g. via SECCM) with micro/nanostructure, in conjunction with bulk mechanical behavior, can help identify the right fabrication method and alloy chemistry to minimize SCC issues in Al alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effect of various post-extrusion tempering on performance of AA2024 tubes fabricated by shear assisted processing and extrusion

In this report aluminum alloy 2024 (AA2024) tubes were extruded using the shear assisted processing and extrusion (ShAPE) method. As a ubiquitous aerospace alloy, AA2024 has reached a high degree of maturity with respect to manufacturing processes, alloy chemistry and heat treatment to maximize material strength. Therefore, over the eight decades since the introduction of this alloy, the mechanical properties have plateaued, and the extrusion speed has reached a 3.5 m/min ceiling using conventional extrusion. The ShAPE technique enabled an extrusion speed of AA2024 up to 7.4 m/min at 480 °C which is surpassing the extrudability chart of this alloy. Variation of the standard T3510 and T8510 post extrusion heat treatments were applied to improve the mechanical performance of the ShAPE extruded AA2024 tube. The ultimate tensile strength and yield strength of AA2024-T8510 ShAPE extruded tube are 522.0 ± 3.3 MPa and 510.7 ± 3.3 MPa, which are respectively 18% and 32% higher than ASM-typical and ASTM minimum values. The elongation at break of ShAPE extruded AA2024-T8510 tubes is two times higher than the ASM-typical and ASTM-minimum values. This improved ductility is attributed to the refinement of grain size and secondary phases as well as due to the uniform dispersion of sub-micron strengthening precipitates formed during the ShAPE process.

42 ENGINEERING↗
DOE OSTI2020

Micro- and nano-porosity of the active Alpine Fault zone, New Zealand

Porosity reduction in rocks from a fault core can cause elevated pore fluid pressures and consequently influence the recurrence time of earthquakes. We investigated the porosity distribution in the New Zealand's Alpine Fault core in samples recovered during the first phase of the Deep Fault Drilling Project (DFDP-1B) by using two-dimensional nanoscale and three-dimensional microscale imaging. Synchrotron X-ray microtomography-derived analyses of open pore spaces show total microscale porosities in the range of 0.1 %–0.24 %. These pores have mainly non-spherical, elongated, flat shapes and show subtle bipolar orientation. Scanning and transmission electron microscopy reveal the samples' microstructural organization, where nanoscale pores ornament grain boundaries of the gouge material, especially clay minerals. Our data imply that (i) the porosity of the fault core is very small and not connected; (ii) the distribution of clay minerals controls the shape and orientation of the associated pores; (iii) porosity was reduced due to pressure solution processes; and (iv) mineral precipitation in fluid-filled pores can affect the mechanical behavior of the Alpine Fault by decreasing the already critically low total porosity of the fault core, causing elevated pore fluid pressures and/or introducing weak mineral phases, and thus lowering the overall fault frictional strength. We conclude that the current state of very low porosity in the Alpine Fault core is likely to play a key role in the initiation of the next fault rupture.

58 GEOSCIENCES↗
DOE OSTI2023

Summary of Biomass Scale Cubical Triaxial Tester Results

Hoppers are widely used biomass handling devices that channel bulk biomass from storage to subsequent handling equipment. Jenike’s longstanding approach, based on the Mohr-Coulomb model, has been successfully used to design hoppers handling cohesionless granular materials such as grains and other agricultural produces. However, designing a hopper to ensure reliable non-grain biomass flow is found to be challenging due to cohesion, irregular particle shape, and bulk material elastoplasticity. Forest Concepts developed a Cubical Triaxial Tester (CTT) to collect data necessary to determine constitutive model coefficients appropriate for particulate biomass materials. Over the course of three years, including hundreds of data sets with a focus on low-pressure ranges relevant to gravity hopper flow of biomass feedstocks, the Forest Concepts’ CTT has proven to be a reliable method to generate data that is otherwise difficult to obtain. Coefficients for three widely used constitutive material models, i.e., Mohr-Coulomb model, modified Cam-Clay model, and Drucker-Prager/Cap model, are reported. This work was supported in part by the US Department of Energy under contract DE-EE0008254.

09 BIOMASS FUELS↗