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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 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Incorporating dynamic recrystallization into a crystal plasticity model for high-temperature deformation of Ti-6Al-4V

During hot deformation of (α + β) titanium alloys, the simultaneous action of strain and temperature in the (α + β) regime facilitates dynamic recovery, dynamic recrystallization (DRX), and phase transformations via non-equilibrium paths. DRX is manifested in the form of fine recrystallized α or β grains. Here, in the present study, a two-phase crystal plasticity finite element framework (CP-DRX) has been developed which incorporates DRX kinetics into the crystal plasticity (CP) model to predict the flow characteristics of Ti-6Al-4V alloys during thermo-mechanical processing. The CP slip system parameters, as well as elastic properties from both α and β phases of Ti, are calibrated for different strain rate conditions. An EBSD-informed two-phase microstructure representation has been utilized in the CP-DRX framework to explore the time-dependent evolution of DRX microstructure and crystal orientation for different strain rate conditions. The proposed CP-DRX can capture the evolution of crystal orientation and plastic flow stress–strain response of polycrystalline Ti-6Al-4V during the deformation process. Furthermore, the proposed model is able to capture the softening behavior, observed in average stress–strain response from experiments performed using a Gleeble thermomechanical simulator and predict the recrystallization texture.

(α+ β)-Titanium (Ti) Alloys↗
DOE OSTI2022

Nanoscale trace-element zoning in pyrite framboids and implications for paleoproxy applications

Pyrite framboids (spherical masses of nanoscale pyrite) are among the earliest textures of pyrite to form in sediments. It has been proposed that their trace-element (TE) contents can be used to track the TE composition of the water column in which they formed. However, it is not clear how these TEs are associated with the framboidal pyrite grains. For instance, it is important to know whether they are incorporated uniformly or are enriched in different regions of the framboid. Here, we used high-resolution scanning transmission electron microscopy to identify chemical zoning within pyrite framboids. We found that initial, nanoscale pyrite euhedral crystals, which make up the volumetric majority of the framboids, are covered/infilled by later pyrite that templates on the earlier pyrite. Further, this later pyrite is enriched in TEs, suggesting that many TEs are incorporated in pyrite relatively late (during early diagenesis; not in the water column). This observation suggests that although chemical analyses of pyrite framboids may provide ocean-water chemistry trends through time, the details are complex. Specifically, the TEs found in pyrite may be linked to adsorption onto organic matter, detrital material, and authigenic minerals such as Fe- and Mn-oxide phases followed by desorption in the sediments or release via dissolution and incorporation into pyrite as overgrowths on the initial nanoscale euhedral crystals that make up framboids. While the use of pyrite chemistry to understand past ocean conditions remains promising, and even diagenetic additions may not preclude the utility of pyrite for reconstructing ancient ocean conditions, care must be taken in interpretations because the end concentration may be influenced by diagenesis.

58 GEOSCIENCES↗
DOE OSTI2025

Unconventional Anomalous Hall Effect in Hexagonal Polar Magnet Y 3 Co 8 Sn 4

A rare realization of unconventional anomalous Hall effect (UAHE) both below and above the magnetic transition temperature (T C ) in a hexagonal noncentrosymmetric magnet Y 3 Co 8 Sn 4 , using a combined experimental and ab initio calculations. Occurrence of such UAHE is mainly attributed to the reciprocal ($\mathscr{KS}$) topology (i.e., the presence of topological Weyl points at/near the Fermi level), along with some contribution from the topological magnetic texture (at low temperatures), as inferred from the measured field-dependent ac susceptibility. The effect of UAHE on the measured transport behavior however evolves differently with temperature above and below T C = 53 K, suggesting different physical mechanism responsible in the two phases. A unique planar ferrimagnetic ordering is found to be the most stable state with ab-plane as the easy plane below T C . The simulated net magnetization and the moment per Co atom agrees fairly well with the experimentally measured values. A reasonably large anomalous Hall conductivity (AHC) is also observed in both the phases (above and below T C ) of the present compound, which is again not so ubiquitous. In conclusion, the results underscore the family of R 3 Co 8 Sn 4 (R = rare earth) polar magnets as a compelling backdrop for exploring the synergy of magnetism and topological non-trivial electronic states, pivotal for spintronic applications.

Density functional theory calculations↗
DOE OSTI2019

Thermal Cycling and Ratchet Growth of TATB and PBX 9502

The irreversible volume expansion, or ratchet growth, of TATB and PBX 9502 (95 weight% TATB) compactions has been quantified over a wide range of thermal cycles. While the precise TATB texture distributions of these specimen sets are likely different from each other, we believe they are consistent within each set, as the expansion data show reproducibility and consistency. These data provide a baseline characterization of the ratchet growth phenomenon in these materials. The increased expansion that comes with changes in the temperature range of the cycles is quantified, repeated hot cycles growing far more than cold. For thermal cycles above ambient where the temperature range is increased in subsequent cycles, the growth of a given cycle is shown to be dictated by previously-established growth trajectories, and the specimen will grow according to the growth potential associated with the temperature range of the present cycle. Alternating hot-cold cycles greatly enhances the cold-cycle contributions as compared to the growth of cold cycles alone. These “rules” of ratchet growth are first established, then observed to hold true for more complex sequences of hot and cold cycles. Finally, a simple equation is used to parameterize the response of individual data sets.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2018

Temperature-Dependent Magnetic Properties of Electrodeposited CoPtP Alloy Nanowires

CoPtP alloy nanowires, ~ 200 nm in diameter, have been prepared by the electrodeposition method into the pores of a porous anodic aluminum oxide template. X-ray diffraction pattern shows that the wires consist of a mixture of fcc and hcp phases with CoPt (002) and CoPt (221) texture. The coercivity was found to be 1150 Oe at 50 K and 760 Oe at 300 K, when the field was applied parallel to the wire axis. The temperature dependence of coercivity was explained by considering the magnetocrystalline anisotropy and thermal activation effect.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Skyrmion Emergence Mediated by Antiferromagnetic Interlayer Exchange Coupling

Skyrmions are considered as topologically protected magnetic textures; they are covering a large area of applications. In this work, we studied using micromagnetic simulations the emergence of skyrmions in a nanodisk stacked in a FM/NM/FM multilayer system. We show how the skyrmion is formed through the antiferromagnetic interlayer exchange coupling (IEC). We also show the impact of the IEC on skyrmion size in both layers. We try as a conclusion to identify the range of IEC where skyrmions could exist in such systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Corrosion Behavior of Nano-/Ultrafine-Grained Al-0.2 wt.% Sc Alloy Produced by Accumulative Roll Bonding (ARB)

The corrosion behavior of the Al-0.2 wt.% Sc alloy fabricated by the accumulative roll bonding (ARB) process in a 3.5 wt.% NaCl solution was studied using the electrochemical impedance spectroscopy and potentiodynamic polarization techniques. The effect of the microstructural parameters, such as dislocation density, texture, grain boundary, and lattice strain, on the corrosion behavior was also investigated in this study. The results demonstrated that the ARB process can significantly improve the corrosion resistance and modify the corrosion potential to attain higher positive potentials. In addition, the pitting corrosion changed into the lateral spreading of the pits at the seventh and tenth cycles of the ARB process with average grain size of 410 and 370 nm, respectively. The change in the fraction of the high-angle grain boundary during the ARB process is the most important parameter regarding the variation in corrosion type. The average grain size of 410 nm in seventh cycle, as the optimum average grain size, demonstrated the highest corrosion resistance.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Microstructure and Mechanical Properties of Cast Al-5Zn-2Mg Alloy Subjected to Equal-Channel Angular Pressing

In the present work, cast Al-5Zn-2Mg alloy was processed through equal-channel angular pressing (ECAP) in route B{sub C} up to four number of passes. Microstructure and mechanical properties were investigated on processed and unprocessed materials. In cast condition, the material was composed of dendritic structure. After homogenization treatment, large-sized grains were observed. After ECAP processing, significant grain refinement was observed. After ECAP processing, high-density dislocations and high degree of misorientation between the grains were observed. In cast material, rod-shaped precipitates were observed, while, after ECAP processing, spherical-shaped precipitates were observed. ECAP processing leads to a noticeable improvement in the mechanical properties of the material. After four passes, 122% improvement in the microhardness and 135% improvement in the ultimate tensile strength of the material were observed. After three passes, a slight decrease in the mechanical properties was observed. This is attributed to the dissolution of the metastable η′ phase, annihilation of dislocations, dynamic recrystallization and texturing during ECAP processing. Brittle fracture mode was observed in tensile testing cast and homogenized samples. After ECAP processing, fracture mode was changed into shear fracture mode.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Three-Dimensional Additively Manufactured Microstructures and Their Mechanical Properties

Metal additive manufacturing (AM) allows for the freeform creation of complex parts. However, AM microstructures are highly sensitive to the process parameters used. Resulting microstructures vary significantly from typical metal alloys in grain morphology distributions, defect populations and crystallographic texture. AM microstructures are often anisotropic and possess three-dimensional features. These microstructural features determine the mechanical properties of AM parts. Here, we reproduce three “canonical” AM microstructures from the literature and investigate their mechanical responses. Stochastic volume elements are generated with a kinetic Monte Carlo process simulation. A crystal plasticity-finite element model is then used to simulate plastic deformation of the AM microstructures and a reference equiaxed microstructure. Results demonstrate that AM microstructures possess significant variability in strength and plastic anisotropy compared with conventional equiaxed microstructures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Surface and subsurface characterization of laser-interference structured Ti6Al4V

Ti6Al4V specimens were exposed to high-energy laser pulses of 1.24 J/cm 2 fluences per pulse using a two-beam optical configuration to attain laser-interference. In addition to the formation of periodic surface textures by laser-interference, scanning electron microscope (SEM) images demonstrated several microstructural changes on the surface processed. Moreover, the surface and subsurface of Ti6Al4V specimens were characterized for the as-received and laser-interference processed conditions using x-ray photoelectron spectroscopy (XPS) and electron energy dispersive spectroscopy (EDS). The XPS data showed that this laser technique is effective at removal of surface contaminants for Ti6Al4V. The XPS analysis also revealed the formation of an oxy-nitride layer on the laser treated material. Finally, the microstructure analysis indicates that grain refinement, dendrite and twin structures were found near the surface due to laser processing.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Sr immobilization in irradiated Portland cement paste exposed to carbonation

Cement based materials are widely used as binding matrices for radionuclides in low and intermediate level waste management applications. We studied the effect of irradiation and carbonation under atmospheric condition on the leaching of Sr from Portland cement paste. Samples were exposed to gamma irradiation or subjected to thermal treatment under either inert or atmospheric conditions. Leaching tests were performed and supplemented by post-leaching characterization including local chemical analysis (LA-ICPMS) crystallographic analysis (XRD), and EPMA imaging. The combination of these methods enabled us to link between the crystallography, texture and composition of the treated samples and their ability to retain Sr ions. Results show that carbonation was the main factor determining the retention of Sr ions, whereas irradiation did not have a significant effect. Moreover, carbonation has a positive effect on the retention of Sr ions in the matrix with the formation of a carbonated zone.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

PyProcar: A Python library for electronic structure pre/post-processing

The PyProcar Python package plots the band structure and the Fermi surface as a function of site and/or s,p,d,f - projected wavefunctions obtained for each k-point in the Brillouin zone and band in an electronic structure calculation. This can be performed on top of any electronic structure code, as long as the band and projection information is written in the PROCAR format, as done by the VASP and ABINIT codes. PyProcar can be easily modified to read other formats as well. This package is particularly suitable for understanding atomic effects into the band structure, Fermi surface, spin texture, etc. PyProcar can be conveniently used in a command line mode, where each one of the parameters define a plot property. In the case of Fermi surfaces, the package is able to plot the surface with colors depending on other properties such as the electron velocity or spin projection. Furthermore, the mesh used to calculate the property does not need to be the same as the one used to obtain the Fermi surface. A file with a specific property evaluated for each k-point in a k-mesh and for each band can be used to project other properties such as electron–phonon mean path, Fermi velocity, electron effective mass, etc. Another existing feature refers to the band unfolding of supercell calculations into predefined unit cells.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Understanding syringeability and injectability of high molecular weight PEO solution through time-dependent force-distance profiles

Opioid medications play a vital role in treating moderate to severe pain. Unfortunately, many drug misusers and abusers attempt to alter the formulations or properties of these drugs by manipulation, (e.g., crushing, chewing, smoking, snorting, injecting). The intravenous (IV) route is most dangerous to abusers, as the drugs directly enter the circulatory system and produce intense euphoria. To obtain a full understanding of the impact of syringe factors (e.g., needle gauge size, needle length, syringe barrel size), on the ease of injection, we undertook a comprehensive assessment of syringeability and injectability of manipulated abuse-deterrent formulations (ADFs). A texture analyzer-based testing method was developed for the measurement of the resistance force of pulling, holding, and pushing phases of injections. Results showed that the finer needle gauge sizes required higher injection force to withdraw drug solutions. In addition, the syringed liquid volume was highly dependent on needle gauge size, holding time, and sample viscosity. In most cases, a lower needle gauge number and a longer holding time increased the syringed volume. Needle length was highly correlated to injection force (R 2 = 0.99). Using longer needles to inject drug solution requires greater force. Furthermore, large barrel size was correlated to pushing force (R 2 = 0.99); thus, increasing the difficulty of pushing the plunger of a large syringe with one hand. Lastly, relationships between injection force, sample viscosity, and testing conditions were elucidated using a mathematical model, which could be used in the future to assess and predict injection force of solution samples.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Microstructure and high temperature properties of tungsten processed via electron beam melting additive manufacturing

There is considerable interest in the adoption of additive manufacturing for processing refractory metals. The layer-wise fabrication approach enables opportunities for producing complex geometries which cannot be otherwise be achieved via powder metallurgy. However, the processing science is still in its nascent stages and structure–property relations are relatively unexplored. Fundamental research is needed to further develop the technology and enable the fabrication of refractory metals for high temperature applications. Here we focus on the processing of pure tungsten using electron beam melting additive manufacturing. Experimentally we develop a suitable processing window for achieving high density crack free material. Microstructural analysis reveals that the microstructure generally consists of a columnar structure with a (111) build direction fiber preference, although, fiber switching was observed. Process induced deformation is believed to drive the formation of subgrains whose boundaries exhibit a high dislocation density. Additionally, high temperature tensile testing reveals that the material exhibits excellent properties closer to that of annealed tungsten. Significant mechanical anisotropy was observed to be present which is likely driven by strong crystallographic texture.

36 MATERIALS SCIENCE↗
DOE OSTI2021

In situ study on the compression deformation of MoNbTaVW high-entropy alloy

The excellent mechanical properties of high-entropy alloys (HEAs) make them promising materials for advances in science and technology. However, the underlying mechanism of plastic deformation is not well understood. In situ experiments are urgently required to provide a fundamental understanding of the plastic deformation under high pressure. We performed in situ synchrotron X-ray diffraction (XRD) experiments to study compression deformation behavior of the HEA MoNbTaVW in a radial diamond anvil cell (rDAC). Our results show that the strength and ratio of the stress-to-shear modulus values are ~1.5 and 3 times that of pure tungsten (W), respectively. MoNbTaVW showed plastic deformation above 5 GPa and displayed a much stronger texture. In this work, we found that the active dislocation behavior is mainly responsible for the high strength in MoNbTaVW under compression. This unique technique opens a new avenue to investigate the in situ mechanical properties and their mechanism in other types of HEAs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Advanced magnetic X-ray spectro-microscopies to characterize mesoscopic magnetic materials

Here, this article provides a brief overview of advanced magnetic X-ray spectro-microscopies that are widely used in characterizing mesoscopic magnetic materials. Common to those techniques are various X-ray magnetic dichroism effects that are used as magnetic contrast mechanism. A particular interest is to use those techniques to image the underlying microscopic spin structures in magnetic materials with high spatial resolution and to ultimately resolve their full 3D mesoscale characteristics with elemental sensitivity, as well as their ultrafast dynamics upon excitations with field and current pulses. Recent research examples using various magnetic X-ray spectro-microscopies are presented to showcase their specific features with a focus on imaging novel topological spin textures, such as vortices, skyrmions and Hopfions, which are considered as potential building blocks towards low power, high-speed and high-density magnetic devices that could transform information technologies and potentially be used in biomedical applications. Future developments with magnetic X-ray spectro-microscopies harness the full coherence of next generation X-ray sources and could open the path towards single shot imaging with spatial and temporal resolutions down to fundamental magnetic length and time scales.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effects of sample bias on adhesion of magnetron sputtered Cr coatings on SiC

Swelling of SiC at 300 C due to in-service neutron irradiation causes tensile residual stresses in coatings which are expected to adversely affect the performance of coated SiC composite fuel cladding for light water reactors. Matching the coating swelling with the substrate, a solution common for thermal expansion, is not practical in the case of neutron irradiation. Biasing samples during magnetron sputtering deposition induces compressive residual stress which may counteract this. In this study, chromium coatings were deposited on SiC by DC magnetron sputtering with no external heating at bias voltages of –50V, –75V, and –100V. The effects of the bias voltage on morphology, residual stress, microstrain, texture, and adhesion are shown. The low deposition temperature resulted in the coating microstructure evolution following an energetic particle bombardment dominated trend. Additionally, at the two lower bias voltages knock-on implantation dominated increasing the residual stress and microstrain while at the highest bias voltage, thermal spike migration allowed for defect relaxation. When the knock-on induced compressive residual stress exceeded 0.8 GPa microcrack formation in the SiC substrate decreased coating adhesion. While no microcracks formed at the lowest bias voltage, insufficient atomic mobility during coating growth lead to voids forming in the coating. A balance is needed to form void-free coatings that have high compressive residual stress.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Size dependence of microstructure of AlSi10Mg alloy fabricated by selective laser melting

Highlights: • Plate-shaped samples with various widths were fabricated via selective laser melting. • The hardness of AlSi10Mg samples slightly decreased with decreasing sample width. • The alloy sample size had a slight effect on microstructure of the α-Al matrix. • Precipitation of Si phase in α-Al matrix was enhanced by reducing the sample size. • The softening by reducing sample size is likely due to their slower cooling rate. - Abstract: In order to investigate the size dependence of microstructure of the AlSi10Mg alloy fabricated by selective laser melting (SLM) combined with a powder bed technique, plate-shaped AlSi10Mg alloy samples with various widths (ranging from approximately 10 mm to 0.3 mm) were produced in this study. All the fabricated samples exhibited characteristic microstructural morphologies consisting of melt pools with columnar α-Al grains surrounded by fine eutectic Si particles, whereas their sample sizes had a relatively small effect on the texture and average grain size of the α-Al matrix. However, the formation of fine Si precipitates inside the columnar α-Al grains was observed more often for the smaller-sized samples, which could be a possible dominant contributor to the observed softening of the sample by reducing sample size. The obtained results were utilized for discussing the size dependence of the strength of the SLM-manufactured porous alloy samples.

36 MATERIALS SCIENCE↗