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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Elucidating grain boundary energy minimization mechanisms in textured Ca-doped alumina with inclination-dependent Monte Carlo Potts simulations

The grain growth behavior of textured Ca-doped alumina is compared to Monte Carlo Potts (MCP) simulations to investigate the effect of anisotropic grain boundary (GB) properties on local boundary migration. Experimentally, the growth of textured Ca-doped alumina results in highly elongated grains. The relative GB energy distribution is measured using the thermal groove method before and after heat treating at 1600°C, finding that high energy GBs are eliminated during grain growth. No significant difference in the GB energy distributions is found between the long and short axes of the elongated grains, suggesting that anisotropic mobility may be responsible for the grain shape. However, MCP simulations with anisotropic mobility as a function of plane inclination do not result in grains with distinct morphologies, regardless of the degree of anisotropy introduced. The final grain shape after grain growth of textured Ca-doped alumina resembles that of the MCP simulations using an anisotropic GB energy as a cosine function of plane inclination. Several energy functions are tested and only those that mathematically impose a torque (second derivative of energy with respect to the plane inclination angle) result in elongated grains. Although area reduction is the dominant energy minimization mechanism, these results suggest that local GB migration is affected by anisotropic GB energy and torque and alternative mechanisms like GB replacement and reorientation.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Chirality reversal of magnetic solitons in chiral Cr 1/3 TaS 2

Ferromagnetism in two-dimensional (2D) materials provides an ideal platform to study emergent electromagnetic phenomena in low dimensions for future spintronics. In magnetic-element intercalated transition metal dichalcogenides, topologically nontrivial spin textures, such as chiral helimagnetic spin states and chiral soliton lattices, are realized due to the chiral lattice distortions induced by intercalated magnetic ions. Consequently, the magnetic chirality is predictably determined by the sign of antisymmetric exchange interaction (or Dzyaloshinskii–Moriya interaction, DMI) vector that is coupled to the underlying crystal chirality. Here, using cryogenic Lorentz phase microscopy, we directly observed the chirality reversal behavior of the chiral soliton lattices in Cr 1/3 TaS 2 across the structural defects. We show that a partial 1 T stacking in 2H-TaS 2 locally reduces DMI, leading to magnetic chirality reversal with direct atomic resolution imaging. Furthermore, our experimental results show that manipulation of stacking sequence provides a viable way to control the chirality of topologically nontrivial soliton lattices in 2D magnets.

2D materials↗
DOE OSTI2022

Boundary characterization using 3D mapping of geometrically necessary dislocations in AM Ta microstructure

Additive manufacturing (AM) of high strength metallic materials produces microstructures and defects that deviate substantially from those created through conventional manufacturing methods. It has recently been demonstrated that with application of extreme energy densities, a high-temperature refractory metal, tantalum (Ta), can be printed to a fully dense state with exceptionally low porosity. Here we employ a combination of three-dimensional electron backscattered diffraction (EBSD) TriBeam technology and crystallographic geometrically necessary dislocation (GND) theory to characterize the microstructure and defect boundaries of this unusual AM product. Two-dimensional (2D) EBSD and these three-dimensional (3D) measurements indicate that the microstructure of AM Ta is highly oriented <111> along the build direction, yet at the same time contains large crystallographic orientation gradients that span mm’s across the build. Crystallographic GND density analysis of the 3D microstructure reveals that highly misoriented subboundaries exist within this strongly textured microstructure that have large dislocation densities of 1×10 16 m –2 , just as large as those comprising the high-angle grain boundaries (HAGBs) in the same material. The 3D crystallographic GND density mapping reveals these subboundaries are part of a complex, finely spaced network that extends throughout the entire microstructure. Here, the orientation of these boundaries can be related to the scan strategy used during printing. TEM measurements corroborate an extremely high dislocation density at the microscale and indicate a cell-like dislocation network structure existing in the AM Ta at the sub-μm scale.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Designing polar textures with ultrafast neuromorphic features from atomistic simulations

This review summarizes recent works, all using a specific atomistic approach, that predict and explain the occurrence of key features for neuromorphic computing in three archetypical dipolar materials, when they are subject to THz excitations. The main ideas behind such atomistic approach are provided, and illustration of model relaxor ferroelectrics, antiferroelectrics, and normal ferroelectrics are given, highlighting the important potential of polar materials as candidates for neuromorphic computing. Some peculiar emphases are made in this Review, such as the connection between neuromorphic features and percolation theory, local minima in energy path, topological transitions and/or anharmonic oscillator model, depending on the material under investigation. By considering three different and main polar material families, this work provides a complete and innovative toolbox for designing polar-based neuromorphic systems.

THz pulses↗
DOE OSTI2025

Tailoring additive manufacturing to optimize dynamic properties in 316L stainless steel

With the advent of additive manufacturing, manipulation of typical microstructural elements such as grain size, texture, and defect densities is now possible at a faster time scale. While the processing–structure–property relationship in additive manufactured metals has been well studied over the past decade, little work has been done in understanding how this process affects the dynamic behavior of materials. We postulate that additive manufacturing can be used to alter the material microstructure and used to enhance its dynamic strength. In this work, 316L stainless steel (SS) was manufactured via selected laser melting and its microstructure was altered through changing build parameters like laser power, speed, and hatch spacing systematically. These samples were then subjected to spall recovery experiments to measure the spall strength and quantify the amount of damage as a function of build parameters. By mapping the spall strength as a function of build parameters, this work demonstrated that indeed additive manufacturing can be used to tailor the spall strength of 316L SS. This work also determined the optimum build parameters (laser power=195W; scanning speed=1083mm/s; hatch spacing=0.09mm; layer thickness=0.02mm) to obtain the highest spall strength and the least amount of total damage in 316L SS. Microstructural characterization of the pre- and post-mortem samples revealed that increased grain average misorientation and textural index were the main driving force behind this higher spall strength. This work aims to enhance microstructural engineering techniques to design materials with greater resistance to dynamic shock loading.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Magnetostrictive materials for enhanced sensors and electronic components

Magnetostriction is a property of magnetic materials that causes them to change their shape or dimensions proportional to their magnetization. Low-cost, mechanically robust magnetostrictive sensors would be valuable for a wide range of applications across the DOE and national security mission space, such as monitoring the internal conditions of pipelines, rapidly detecting high-impedance faults in power lines (e.g. trees touching power lines), or enhancing implantable systems for the human body. Dilute doping (<1 at.%) of rare earth elements (REE) has been shown to amplify the magnetostriction. Furthermore, alloy processing by rapid cooling from high temperature tends to result in texturing and therefore greater magnetostriction values, which bodes well for developing advanced manufacturing approaches significantly less expensive than single crystal growth. The goal of this effort was to develop robust, low-cost magnetostrictive materials compatible with advanced manufacturing techniques to exploit the rapid cooling of these approaches while retaining the ability to produce fully dense structures. To be useful as a sensor or actuator the coercivity of the material needs to be minimized so that there is minimal magnetic hysteresis. Employing a small scale laser powder bed fusion (L-PBF) system, specimens of Fe-Ga-Ce were built from alloy powder which had a magnetostriction of 289 ppm along the build direction and 197 ppm perpendicular to the build direction. These values are not far from the 310-350 ppm observed in single crystals of Fe-Ga. The results of the series of samples run suggest this is a very promising route for REE doping to higher levels, especially if the powders can be produced using far from equilibrium approaches such as ultrasonic atomization. The promising results from applying additive manufacturing techniques to these materials, particularly the inexpensive Fe-Al system, has potential for inexpensive high-performing magnetostrictive parts producible at large scales for low-cost sensors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A history of mild shocks experienced by the regolith particles on hydrated asteroid Ryugu

Micrometeorites, a possible major source of Earth’s water, are thought to form from explosive dispersal of hydrated chondritic materials during impact events on their parental asteroids. However, this provenance and formation mechanism have yet to be directly confirmed using asteroid returned samples. Here, we report evidence of mild shock metamorphism in the surface particles of asteroid Ryugu based on electron microscopy. All particles are dominated by phyllosilicates but lack dehydration textures, which are indicative of shock-heating temperatures below ~500°C. Microfault-like textures associated with extensively shock-deformed framboidal magnetites and a high-pressure polymorph of Fe–Cr–sulfide have been identified. These findings indicate that the average peak pressure was ~2 GPa. The vast majority of ejecta formed during impact on Ryugu-like asteroids would be hydrated materials, larger than a millimetre, originating far from the impact point. These characteristics are inconsistent with current micrometeorite production models, and consequently, a new formation mechanism is required.

58 GEOSCIENCES↗
DOE OSTI2021

Estimation of micro-Hall-Petch coefficients for prismatic slip system in Mg-4Al as a function of grain boundary parameters

Grain size strengthening, referred to as the Hall-Petch effect, is a common strategy to improve the yield strength of magnesium (Mg) alloys. Several experimental studies have reported that the Hall-Petch slope strongly depends on the texture of the alloy. This effect arises from altering grain boundaries (GBs) resistance to different slip systems to transfer across adjacent grains. The grain boundary barrier strength of certain grain boundaries to basal slip, referred to as basal micro-Hall-Petch, was investigated in the previous work. Here in this study, the micro-Hall-Petch coefficient values for the prismatic slip $(k^{prismatic}_{μ})$ in Mg-4Al and their correlation with the grain boundary parameters were investigated. An experimental method was developed to initiate the prismatic slip band at low-stress levels. High-resolution electron backscatter diffraction (HR-EBSD) was used to measure the residual stress tensor, from which the resolved shear stress ahead of blocked prismatic slip bands was computed for seven different grain boundaries. $(k^{prismatic}_{μ})$ values for each individual GB were calculated by coupling the stress profile information with a continuum dislocation pile-up model. The $(k^{prismatic}_{μ})$ values vary from 0.138 MPa.m 1/2 to 0.685 MPa. m 1/2 which are almost three times larger than the calculated values for the basal micro-Hall-Petch. The $(k^{prismatic}_{μ})$ values were correlated with the GB parameters, and a functional relationship depending on the two most effective angles, the angle between the traces of the slip planes on the GB plane ($\phi$) and the angle between incoming and outgoing slip directions (κ), was proposed to estimate the Hall-Petch barrier for prismatic slip system. The work provides coefficients that can be supplied as input to crystal plasticity models to couple the effect of texture and grain size effectively.

36 MATERIALS SCIENCE↗
DOE OSTI2027

A multi-region approach for the analysis of porous materials and gas-solid reactions using USAXS-SAXS-WAXS: application to CaO carbonation

The reaction rate of gas-solid non-catalytic reactions is typically investigated using reactant conversion data over time and ex-situ measurements of the porous solid reactant textural properties; these data enable the experimental estimation of the initial intrinsic reaction rate, whereas the evolution of the textural properties and the reaction rate over time are evaluated theoretically using reaction models. In this work, a different methodology is presented, based on: a) in-situ time-resolved USAXS-SAXS-WAXS measurements of the solid sample, and b) a multi-region modeling approach; this methodology allows for the estimation of the textural properties and the intrinsic reaction rate at any time during the reaction. Referring to a reaction in which a solid product is obtained from a solid reactant and a gaseous reactant, the porous particle is described as consisting of several distinct regions with different microstructural properties, and both a gas-solid reaction model and a SAXS model are derived and applied to the carbonation of porous CaO. The proposed reaction model highlights the role of the inaccessible reactant and accurately predicts the solid reactant conversion versus time profile. The SAXS model accurately predicts the measured linear trends of the Porod invariant and of the pre-factor of the power law scattering profile versus CaO mass fraction; in the absence of chemical reactions, the proposed equations extend classical SAXS theory to porous materials containing macropores and nonporous solid phases in addition to standard nanoscale inhomogeneous regions.

CO2 solid sorbents↗
DOE OSTI2024

Metal Scrap Upcycling with Shear Assisted Processing and Extrusion (ShAPE)

The overarching objective of this project is to convert metal scraps, such as aluminum, titanium, and other alloys provided by the industry, into extruded tubing, wires, and rods. Upcycling of scrap will be accomplished using Shear Assisted Processing and Extrusion (ShAPE). This approach is a new solution for recycling. The specific aims of this project are as follows: 1. Receive metal scrap under a Material Transfer Agreement (MTA), in the form of billets, from select industry partners that meet the following requirements: outer diameter of 1.245 inches (+/-0.003 inches), inner diameter drilled with a 0.404-inch drill bit, and a length of 4.0 inches (+/-0.01 inches). The billet must be cast or compacted to greater than 98% density. If the industry partner does not have the capabilities to prepare the billets, PNNL can make introductions to third-party entities as needed. Industry partners will also provide a composition analysis as weight percent. 2. Extrude metal scrap via the ShAPE process at PNNL. 3. Evaluate and benchmark the extrudate material properties per the ASTM B557-15 – Testing Tubulars Standard or similar wire and rod standards. 4. Characterize the extrudate microstructure for any of the following: grain size, second phase composition, and texture. Additional testing may include corrosion per the ASTM B117 standard and electro-potential. 5. Deliver specimens to industry partners under an MTA for additional third-party evaluations. Industry partners will, in return, provide a non-proprietary report on any testing, including testing per the ASTM B557-15, ASTM B117, and other industry standards. 6. PNNL will develop data and insights to support intellectual property capture, a published non-proprietary technical report, research collaborations, and commercialization opportunities.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Outlook on texture evolution in additively manufactured stainless steels: Prospects for hydrogen embrittlement resistance, overview of mechanical, and solidification behavior

Abstract Realizing application specific manufacture with fusion-based additive manufacturing (F-BAM) processes requires understanding of the physical phenomena that drive evolution of microstructural attributes, such as texture. Current approaches for understanding texture evolution in F-BAM are majorly considerate of the phenomena occurring only during solidification. This hinders the comprehensive understanding and control of texture during F-BAM. In this perspective article, we discuss several physical phenomena occurring during and after solidification that can determine texture in F-BAM processed stainless steels (SS). A crystal plasticity-coupled hydrogen adsorption-diffusion modeling framework is also leveraged to demonstrate the prospects of grain boundary engineering with F-BAM for enhanced hydrogen embrittlement resistance of SS. Implications of varying thermokinetics in F-BAM for solidification behavior of SS are discussed. Additionally, microstructural attributes that are key to high temperature mechanical performance of SS are highlighted. Considerations as outlined in this perspective article will enable grain boundary engineering and application specific microstructural design of SS with F-BAM. Graphical abstract

36 MATERIALS SCIENCE↗
DOE OSTI2025

Shear Assisted Processing and Extrusion of Magnesium Alloy Machining Chips

The Pacific Northwest National Laboratory (PNNL) utilized Shear Assisted Processing and Extrusion (ShAPE) to convert magnesium alloy machining chips directly into wrought material. PNNL fabricated 0.25” and 0.50” round rod from cold compacted briquettes pressed from dry-machined chips by Loukus Technologies. The alloy composition is proprietary and protected by a Materials Transfer Agreement (MTA) between PNNL and Loukus. Extrusions were fabricated using the ShAPE 2.0 machine, tooling, and process. PNNL is evaluating tensile properties per ASTM E8 and microstructure for grain size, texture, and porosity using Scanning Electron Microscopy (SEM) and Electron Backscatter Diffraction (EBSD). Tensile properties and microstructure results were not available at the time of writing this document. Extruded rods have also been sent to Loukus for evaluation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Variant selection in laser powder bed fusion of non-spherical Ti-6Al-4V powder

The presence of α/α' on prior β/β grain boundaries directly impacts the final mechanical properties of the titanium alloys. The β/β grain boundary variant selection of titanium alloys has been assumed to be unlikely owing to the high cooling rates in laser powder bed fusion (L-PBF). However, we hypothesize that powder characteristics such as morphology (non-spherical) and particle size (50–120 µm) could affect the initial variant selection in L-PBF processed Ti-6Al-4V alloy by locally altering the cooling rates. Despite the high cooling rate found in L-PBF, the results showed the presence of β/β grain boundary α' lath growth inside two adjacent prior β grains. Electron backscatter diffraction micrographs confirmed the presence of β/β grain boundary variant selection, and synchrotron X-ray high-speed imaging observation revealed the role of the “shadowing effect” on the locally decreased cooling rate because of keyhole depth reduction and the consequent β/β grain boundary α' lath growth. The self-accommodation mechanism was the main variant selection driving force, and the most abundant α/α boundary variant was type 4 (63.26°//[ $\bar{10}$ 5 5 $\bar{3}$ ]). The dominance of Category II α lath clusters associated with the type 4 α/α boundary variant was validated using the phenomenological theory of martensite transformations and analytical calculations, from which the stress needed for the β→α' transformation was calculated.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Néel-type skyrmion in WTe 2 /Fe 3 GeTe 2 van der Waals heterostructure

The promise of high-density and low-energy-consumption devices motivates the search for layered structures that stabilize chiral spin textures such as topologically protected skyrmions. At the same time, recently discovered long-range intrinsic magnetic orders in the two-dimensional van der Waals materials provide a new platform for the discovery of novel physics and effects. Here we demonstrate the Dzyaloshinskii–Moriya interaction and Néel-type skyrmions are induced at the WTe 2 /Fe 3 GeTe 2 interface. Transport measurements show the topological Hall effect in this heterostructure for temperatures below 100 K. Furthermore, Lorentz transmission electron microscopy is used to directly image Néel-type skyrmion lattice and the stripe-like magnetic domain structures as well. The interfacial coupling induced Dzyaloshinskii–Moriya interaction is estimated to have a large energy of 1.0 mJ m –2 . This work paves a path towards the skyrmionic devices based on van der Waals layered heterostructures.

42 ENGINEERING↗
DOE OSTI2025

Anomalous Hall effect in the polar magnet Gd 3 ⁢Ni 8 ⁢Sn 4 : A candidate for hosting skyrmions

While recent theoretical studies have positioned noncollinear polar magnets with C nv symmetry as compelling candidates for realizing topological magnetic phases and substantial intrinsic anomalous Hall conductivity, experimental realizations of the same in strongly correlated systems remain rare. Here, we present a large intrinsic anomalous Hall effect and extended topological magnetic ordering in Gd 3 ⁢Ni 8 ⁢Sn 4 with hexagonal C 6v symmetry. Observation of topological Hall response, corroborated by metamagnetic anomalies in isothermal magnetization, peak/hump features in field-evolution of ac susceptibility and longitudinal resistivity suggest the signature of topological magnetic phases. The anomalous Hall effect is quantitatively accounted for by the intrinsic Berry curvature-mediated mechanism. Finally, our results underscore polar magnets as a promising platform to investigate a plethora of emergent electrodynamic responses rooted in the interplay between magnetism and topology.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗