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At least 685 records · Page 38

All sources NASA NTRS DOE OSTI

DOE OSTI2021

Global and local texture development during initial plastic deformation of cold-pilgered Zircaloy-4 tubing

In this work we present a thorough characterization of the texture development during the initial step of a cold pilgering process of a Zircaloy-4 TREX tube, on which the axial cross section is reduced by 80% over a 40cm length with an overall Q-ratio of 2.34, followed by a recrystallization thermal treatment. Texture across a tapered specimen representing this working zone was characterized by neutron diffraction and high energy synchrotron x-ray diffraction at 28 positions (4 locations along its length and 7 locations across its thickness with 0.3 mm spatial resolution), and on the deformed end after the thermal treatment. Results show that the starting material (TREX tube) presents a texture gradient through its wall thickness, with the c poles aligned to the hoop direction at the outer surface (with radial and hoop Kearns factors: f R =0.36, f H = 0.50), and gradually rotating around the axial direction to become a quasi-radial orientation (~35 o out of the radial direction) at the inner surface ( f R =0.43, f H =0.35). The overall texture becomes more radial due to the cold pilgering, but the texture gradient remains during the whole deformation process, being always more radial at the inner surface, ( f R =0.53, f H =0.37 at 80%) than at the outer surface ( f R =0.41, f H =0.50at 80%). The most remarkable changes in texture produced by the rolling process is a 30 o rotation of the grains around their c-axis, producing a marked increase of the <11 2 ¯ 0> // axial fiber texture at expenses of the original <10 1 ¯ 0> // axial fiber texture observed in the TREX tube. The observed changes in texture during deformation were correctly explained by visco-plastic self-consistent (VPSC) modelling. This was achieved after the inclusion of the basal <a> slip system, which plays a central role to explain the 30 o rotation around the c-axis during deformation. The texture evolution was correctly described after the inclusion of a drag effect to grain rotation due to the interaction with neighbouring grains. The through thickness texture differences are greatly reduced by the recrystallization thermal treatment, with similar Kearns factors at the inner surface ( f R =0.50, f H =0.28) and the outer surface ( f R =0.48, f H =0.39). The predominance of the <10 1 ¯ 0> // axial fiber texture is recovered after recrystallization.

36 MATERIALS SCIENCE↗

NASA NTRS1982

The structure of 110 tilt boundaries in large area solar silicon

The models of Hornstra and their connection to the repeating group description of grain boundaries (7-10) are discussed. A model for the Sigma = 27 boundary containing a zig-zag arrangement of dislocations is constructed and it is shown that zig-zag models can account for the contrast features observed in high resolution transmission electron micrographs of second and third order twin boundaries in silicon. The boundaries discussed are symmetric with a 110 tilt axis and a (110) boundary plane in the median lattice (the median plane). The median lattice is identical in structure and halfway in orientation between the crystal lattices either side of the boundary.

Ast, D. G.↗

NASA NTRS1997

The Wardle Instability in Interstellar Shocks: Gas Temperture and Line Emission - 2

We have modeled the gas temperature structure in unstable C-type shocks and obtained predictions for the resultant CO and H2 rotational line emissions, using numerical simulations of the Wardle instability. Our model for the thermal balance of the gas includes ion-neutral frictional heating; compressional heating; radiative cooling due to rotational and ro-vibrational transitions of the molecules CO, H2O, and H2; and gas-grain collisional cooling. We obtained results for the gas temperature distribution in-and H2 and CO line emission from-shocks of neutral Alfvenic Mach number 10 and velocity 20 or 40 km/ s in which the Wardle instability has saturated. Both two- and three-dimensional simulations were carried out for shocks in which the preshock magnetic field is perpendicular to the shock propagation direction, and a two-dimensional simulation was carried out for the case in which the magnetic field is obliquely oriented with respect to the shock propagation direction. Although the Wardle instability profoundly affects the density structure behind C-type shocks, most of the shock-excited molecular line emission is generated upstream of the region where the strongest effects of the instability are felt. Thus the Wardle instability has a relatively small effect on the overall gas temperature distribution in-and the emission-line spectrum from-C-type shocks, at least for the cases that we have considered. In none of the cases that we have considered thus far did any of the predicted emission-line luminosities change by more than a factor of 2.5, and in most cases the effects of instability were significantly smaller than that. Slightly larger changes in the line luminosities seem likely for three-dimensional simulations of oblique shocks, although such simulations have yet to be carried out and lie beyond the scope of this study. Given the typical uncertainties that are always present when model predictions are compared with real astronomical data, we conclude that Wardle instability does not imprint any clear observational signature on the shock-excited CO and H2 line strengths. This result justifies the use of one-dimensional steady shock models in the interpretation of observations of shock-excited line emission in regions of star formation. Our three-dimensional simulations of perpendicular shocks revealed the presence of warm filamentary structures that are aligned along the magnetic field, a result that is of possible relevance to models of water maser emission from C-type shocks.

Neufeld, David A.↗

DOE OSTI2023

Microstructure and strengthening of Al-6Ce-3Ni-0.7Fe (wt%) alloy manufactured by laser powder-bed fusion

In this study, an Al-6Ce-3Ni-0.7Fe (wt%) alloy was fabricated via laser powder-bed fusion and its microstructure, thermal stability, tensile properties, and creep properties are investigated for two rapid-solidification rates with different eutectic spacings. For both faster- and slower-cooled states, the as-fabricated alloy mostly shows elongated grains with very fine eutectic networks (~40 nm lamellar width) comprising a high-volume fraction (~18 %) of intermetallic phases. Faster-cooled samples, however, display a less continuous eutectic network with finer spacing (~100 nm), leading to higher Orowan strengthening and therefore superior microhardness and yield stress up to ~350 °C. Upon aging (300 - 450 °C), micron-size Al 9 (Ni,Fe) 2 needle-like precipitates form within grains, and the Al 11 Ce 3 eutectic network spheroidizes, while retaining a submicron width and spacing, resulting in 33–37 % drop in microhardness after 144 h aging at 400 °C. Limited tensile ductility (~6 %) and creep ductility (~1-2 %) are measured for both faster- and slower-cooled alloys due to an inhomogeneous microstructure, where cavitation preferentially initiates at melt-pool boundaries, precipitate-free zones, and/or denuded zones, eventually leading to local fracture. Denuded zones, induced by stress, form due to diffusional flow with stress-dependent orientations, and are identified as microstructurally weak regions leading to strain localization. The present alloy does not show a significant difference in 300 °C creep resistance between: (i) tensile and compressive loading, (ii) faster- and slower-cooled samples, and (iii) continuous and spheroidized eutectics. Creep resistance at 300 °C is comparable to that of a Ce-richer Al-10.5Ce-3.1Ni-1.2Mn (wt%) alloy, despite the formation of denuded zones and needle-like Al 9 (Ni,Fe) 2 precipitates.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Using Multigrain Crystallography to Explore the Microstructural Evolution of the α-Olivine to γ-Ringwoodite Transformation and ε-Mg2SiO4 at High Pressure and Temperature

The introduction of multigrain crystallography (MGC) applied in a laser-heated diamond anvil cell (LH-DAC) using synchrotron X-rays has provided a new path to investigate the microstructural evolution of materials at extreme conditions, allowing for simultaneous investigations of phase identification, strain state determination, and orientation relations across phase transitions in a single experiment. Here, we applied this method to a sample of San Carlos olivine beginning at ambient conditions and through the α-olivine → γ-ringwoodite phase transition. At ambient temperatures, by measuring the evolution of individual Bragg reflections, olivine shows profuse angular streaking consistent with the onset of yielding at a measured stress of ~1.5 GPa, considerably lower than previously reported, which may have implications for mantle evolution. Furthermore, γ-ringwoodite phase was found to nucleate as micron to sub-micron grains imbedded with small amounts of a secondary phase at 15 GPa and 1000 °C. Using MGC, we were able to extract and refine individual crystallites of the secondary unknown phase where it was found to have a structure consistent with the ε-phase previously described in chondritic meteorites.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Strength, deformation, and equation of state of tungsten carbide to 66 GPa

Here, strength, texture, and equation of state of hexagonal tungsten monocarbide (WC) have been determined under quasi-hydrostatic and non-hydrostatic compression to 66 GPa using angle-dispersive X-ray diffraction in the diamond anvil cell. Quasi-hydrostatic compression in a Ne pressure medium demonstrates that nanocrystalline WC is slightly less incompressible than bulk-scale WC, with respective bulk moduli of K 0 = 377 ± 7 and 397 ± 7 GPa and pressure derivatives K 0 ’ = 3.8 ± 0.3 and 3.7 ±0.3. This decrease in incompressibility with grain size is similar to behavior observed in other ceramics. Under nonhydrostatic compression, WC supports a mean differential stress of ~12-15 GPa at plastic yielding, which occurs at ~30 GPa. Strength in WC is anisotropic, with the (001) plane supporting 29-42% higher stress than stresses calculated from mean strain. Simulations using an Elasto-ViscoPlastic Self-Consistent model indicate that strength inferred from lattice strain theory may be overestimated due to effects of plastic deformation. Plastic deformation generates a texture maximum near $\langle\bar{2}110\rangle$ in the compression orientation, initially through prismatic slip on the {$10\bar{1}0$}$\langle\bar{1}2\bar{1}0\rangle$ and {$10\bar{1}0$}$\langle0001\rangle$ slip systems, followed by activation of pyramidal slip on {$10\bar{1}1$}$\langle\bar{2}113\rangle$ at ~40-50 GPa.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Automated extraction of interfacial dislocations and disconnections from atomistic data

Here we introduce Interfacial Line Defect Analysis (ILDA), a method for identifying and extracting interfacial dislocations and disconnections with little-to-no input from the user on the nature of the interface. By simply providing the orientations and coherency strains for the crystals in a coherent reference state of the interface, ILDA provides exact Burgers vectors. Alternatively, these orientations and strains can be estimated using local atomic deformation gradients, making ILDA fully automated and providing estimated Burgers vectors. ILDA also determines the step height associated with each defect line segment, in case the associated defect is a disconnection. The heart of the method is the identification of atoms residing at co-incidence sites between the two crystals and the construction of a surface mesh connecting these sites that is used to compose Burgers circuits and insert defect line segments. We demonstrate the performance of ILDA in two test cases: a twist grain boundary and a phase boundary.

36 MATERIALS SCIENCE↗

NASA NTRS2000

Sedimentology and geochemistry of a perennially ice-covered epishelf lake in Bunger Hills Oasis, East Antarctica

A process-oriented study was carried out in White Smoke lake, Bunger Hills, East Antarctica, a perennially ice-covered (1.8 to 2.8 m thick) epishelf (tidally-forced) lake. The lake water has a low conductivity and is relatively well mixed. Sediments are transferred from the adjacent glacier to the lake when glacier ice surrounding the sediment is sublimated at the surface and replaced by accumulating ice from below. The lake bottom at the west end of the lake is mostly rocky with a scant sediment cover. The east end contains a thick sediment profile. Grain size and delta 13C increase with sediment depth, indicating a more proximal glacier in the past. Sedimentary 210Pb and 137Cs signals are exceptionally strong, probably a result of the focusing effect of the large glacial catchment area. The post-bomb and pre-bomb radiocarbon reservoirs are c. 725 14C yr and c. 1950 14C yr, respectively. Radiocarbon dating indicates that the east end of the lake is >3 ka BP, while photographic evidence and the absence of sediment cover indicate that the west end has formed only over the last century. Our results indicate that the southern ice edge of Bunger Hills has been relatively stable with only minor fluctuations (on the scale of hundreds of metres) over the last 3000 years.

Non-NASA Center↗

DOE OSTI2021

Toughening of interface networks through the introduction of weak links

The resistance of polycrystalline materials to intergranular fracture depends on the toughness of the interfaces between neighboring grains. Using finite element simulations on model, two-dimensional microstructures, we demonstrate that the steady-state crack growth resistance of a polycrystal that contains exclusively high toughness interfaces is suboptimal: its crack growth resistance may be increased by introducing a minority fraction of weak interfaces at random locations within the interface network. Furthermore, the weaker are these interfaces, the greater is their toughening effect. These weak interfaces toughen the material through crack deflection and branching, nucleation of secondary cracks, and inelastic dissipation within intact interfaces. Furthermore, our findings suggest that fracture resistance-oriented material development should not aim to eliminate all weak interfaces, but rather judiciously incorporate a low fraction of them.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Microstructure effects on fatigue crack growth in additively manufactured Ti–6Al–4V

In this article we investigate the relationship between the different microstructural features in additively-manufactured (AM) Direct Metal Laser Deposited Ti–6Al–4V alloys and the observed fatigue and fracture behaviors, using high resolution Digital Image Correlation experiments and microstructural imaging. Fatigue cracks in the AM specimens were observed to periodically propagate parallel to the α' laths and deflect at prior β grain boundaries. Corresponding plastic strain distributions show needle-like regions of high strain that correlated to the α' laths, suggesting significant influence of the microstructure on the plastic zone. In many cases, the fatigue cracks also propagated towards voids from unsintered powder or gas entrapment in the vicinity. In several experiments, premature failure of the AM specimens occurred under monotonic fracture or cyclic fatigue loading, which we attribute to the presence of void clusters located near the crack-tip. These fatigue and fracture characteristics were similar for AM specimens of different build-orientations.

36 MATERIALS SCIENCE↗

NASA NTRS2014

Behavior of Particle Depots in Molten Silicon During Float-Zone Growth in Strong Magnetic Fields

Solar cells made from directionally solidified silicon cover 57% of the photovoltaic industry's market [1]. One major issue during directional solidification of silicon is the precipitation of foreign phase particles. These particles, mainly SiC and Si3N4, are precipitated from the dissolved crucible coating, which is made of silicon nitride, and the dissolution of carbon monoxide from the furnace atmosphere. Due to their hardness and size of several hundred micrometers, those particles can lead to severe problems during the wire sawing process for wafering the ingots. Additionally, SiC particles can act as a shunt, short circuiting the solar cell. Even if the particles are too small to disturb the wafering process, they can lead to a grit structure of silicon micro grains and serve as sources for dislocations. All of this lowers the yield of solar cells and reduces the performance of cells and modules. We studied the behaviour of SiC particle depots during float-zone growth under an oxide skin, and strong static magnetic fields. For high field strengths of 3T and above and an oxide layer on the sample surface, convection is sufficiently suppressed to create a diffusive like regime, with strongly dampened convection [2, 3]. To investigate the difference between atomically rough phase boundaries and facetted growth, samples with [100] and [111] orientation were processed.

Jauss, T.↗

DOE OSTI2021

Ultra-Fast Vertical Ordering of Lamellar Block Copolymer Films on Unmodified Substrates

To utilize the full potential of block copolymer (BCP) thin films for use in technological devices ranging from ion conduction membranes, transistors to nanowire array antennas, rapid self- assembly of lamellar block copolymers (l-BCPs) with vertically oriented lamellar domains on a variety of unmodified substrates is needed. l-BCPs have an inherently larger interfacial area for transport compared to their cylindrical counterpart. Our observations demonstrate that the as-cast weakly ordered vertically oriented state of l-BCP films of polystyrene-block-poly(methyl methacrylate) (PS-b-PMMA) from directional evaporation of select solvents, act as “seed templates” for their ultra-fast evolution (~30 s) into well-ordered vertically oriented nanostructures, using a thermal gradient-based Cold Zone Annealing (CZA) technique. Furthermore, vertical lamellae are obtained on unmodified substrates, Quartz and Kapton, and the kinetics of l-BCP ordering is much faster by CZA as compared to the isotropic oven annealing. The rapid ordering kinetics of vertical l-BCPs is tested and found applicable to different molecular weights and film thicknesses ranging from 20 nm to 480 nm, which ultimately flip over to their equilibrium parallel morphology at upper limits of annealing times. This rapid ordering strategy for vertical orientation of l-BCPs using roll-to-roll compatible CZA would be highly relevant for fundamental studies of interfacial transport as well as for industrial applications from membranes to nanowires.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Characterization of the Interfacial Orientation and Molecular Conformation in a Glass-Forming Organic Semiconductor

The ability to control structure in molecular glasses has enabled them to play a key role in modern technology; in particular, they are ubiquitous in organic light-emitting diodes. While the interplay between bulk structure and optoelectronic properties has been extensively investigated, few studies have examined molecular orientation near buried interfaces despite its critical role in emergent functionality. Direct, quantitative measurements of buried molecular orientation are inherently challenging, and many methods are insensitive to orientation in amorphous soft matter or lack the necessary spatial resolution. To overcome these challenges, we use polarized resonant soft X-ray reflectivity (pRSoXR) to measure nanometer-resolved, molecular orientation depth profiles of vapor-deposited thin films of an organic semiconductor Tris(4-carbazoyl-9-ylphenyl)amine (TCTA). Our depth profiling approach characterizes the vertical distribution of molecular orientation and reveals that molecules near the inorganic substrate and free surface have a different, nearly isotropic orientation compared to those of the anisotropic bulk. Comparison of pRSoXR results with near-edge X-ray absorption fine structure spectroscopy and optical spectroscopies reveals that TCTA molecules away from the interfaces are predominantly planar, which may contribute to their attractive charge transport qualities. Buried interfaces are further investigated in a TCTA bilayer (each layer deposited under separate conditions resulting in different orientations) in which we find a narrow interface between orientationally distinct layers extending across ≈1 nm. Coupling this result with molecular dynamics simulations provides additional insight into the formation of interfacial structure. This study characterizes the local molecular orientation at various types of buried interfaces in vapor-deposited glasses and provides a foundation for future studies to develop critical structure–function relationships.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2020

HAWC plus Far-infrared Observations of the Magnetic Field Geometry in M51 and NGC 891

Stratospheric Observatory for Infrared Astronomy High-resolution Airborne Wideband Camera Plus polarimetry at154μm is reported for the face-on galaxy M51 and the edge-on galaxy NGC 891. For M51, the polarization vectors generally follow the spiral pattern defined by the molecular gas distribution, the far-infrared(FIR) intensity contours, and other tracers of star formation. The fractional polarization is much lower in the FIR-bright central regions than in the outer regions, and we rule out loss of grain alignment and variations in magnetic field strength as causes. When compared with existing synchrotron observations, which sample different regions with different weighting, we find the net position angles are strongly correlated, the fractional polarizations are moderately correlated, but the polarized intensities are uncorrelated. We argue that the low fractional polarization in the central regions must be due to significant numbers of highly turbulent segments across the beam and along lines of sight in the beam in the central 3 kpc of M51. For NGC 891, the FIR polarization vectors within an intensity contour of1500-MJy sr1are oriented very close to the plane of the galaxy. The FIR polarimetry is probably sampling the magnetic field geometry in NGC 891 much deeper into the disk than is possible with NIR polarimetry and radio synchrotron measurements. In some locations in NGC 891, the FIR polarization is very low, suggesting we are preferentially viewing the magnetic field mostly along the line of sight, down the length of embedded spiral arms. There is tentative evidence for a vertical field in the polarized emission off the plane of the disk.

Disk galaxies↗

DOE OSTI2024

Self-Organized Stress Distributions in Polycrystalline Materials [Dissertation]

Understanding stress distributions in solid materials is complicated by the fact that most materials are polycrystalline in nature, with each crystal having an elastically anisotropic reaction to force. This study is to gain a better understanding on how external forces placed on a polycrystal are related to internal reactions within and between the grains. The hypothesis is that the stress distribution in porous to fully dense materials are self-organized based on strong contacts between and within the individual grains created by force chains. Force chains, commonly known in loaded granular materials, and could be the phenomenon that connect micro to macro deformation. Scale bridging measurements conducted through Raman spectroscopy, Atomic Force Microscopy, and Digital Image Correlation will be used to create stress maps, modulus maps, and elastic strain maps across a variety of geological and pharmaceutical polycrystals. When possible, the resulting maps will be compared to current homogenization schemes and a full field models. Finite element modeling will be used to assess whether the patterning seen in the experimental map is a reasonable approximation based on the orientation data of the samples used. A minimum of three publications is projected to be accomplished focusing each on a different method to experimentally test and analyze stress distributions.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Response to the comments on creep-induced elemental redistribution at grain boundaries of 304L stainless steel – An experimental evidence for diffusional creep mechanisms

Sandström and He reanalyzed our 304L creep data (Acta Materialia 121137, 2025) at 10 MPa/750 °C and proposed that: (i) primary dislocation creep dominates based on the ϕ -model; (ii) measured creep rates deviate from published 304H data and Coble creep predictions using literature grain boundary (GB) diffusivity; and (iii) creep-induced elemental redistribution (CIER) could be explained by dislocation emission/absorption (DEAA) and GB creep (GBC), as opposed to diffusional creep. Here, in this response, we propose that: (i) the creep behavior at 15 MPa/750 °C—for which we demonstrated CIER—is only partially captured by the ϕ -model; (ii) direct comparison between 304L and 304H creep data is inappropriate due to carbides in 304H, and Coble creep predictions estimated from CALPHAD-based bulk diffusivity span experimental rates; and (iii) CIER exhibits distinct fingerprint for diffusional creep characterized by anisotropy and stress orientation dependence whereas neither DEAA nor GBC have been mechanistically substantiated.

36 - MATERIALS SCIENCE↗

NASA NTRS2002

Orbiter Cold Plate Intergranular Corrosion: Development of NDE Standards and Assessment of NDE Methods

During pre-servicing of a space shuttle (orbiter vehicle, OV-102), helium leak detection of an avionics cold plate identified a leak located in the face sheet oriented towards the support shelf. Subsequent destructive examination of the leaking cold plate revealed that intergranular corrosion had penetrated the 0.017-inch thick aluminum (AA6061) face sheet. The intergranular attack (IGA) was likely caused by an aggressive crevice environment created by condensation of water vapor between the cold plate and support shelf. Face sheet susceptibility to IGA is a result of the brazing process used in the fabrication of the cold plates. Cold plate components were brazed at 1000 F followed by a slow cooling process to avoid distortion of the bonded cold plate. The slow cool process caused excessive grain boundary precipitation resulting in a material that is susceptible to IGA. The objectives of this work are as follows: (1) Develop first-of-a-kind nondestructive evaluation (NDE) standards that contain IGA identical to that found in the orbiter cold plates; and (2) Assess advanced NDE techniques for corrosion detection and recommend methods for cold plate examination. This report documents the results of work performed at Langley Research Center to fulfill these objectives.

Smith, Stephen W.↗

NASA NTRS2007

[Ti II] and [Ni II] Emission from the Strontium Filament of eta Carinae

We study the nature of the [Ti II] and [Ni II] emission from the so-called strontium filament found in the ejecta of eta Carinae. To this purpose we employ multilevel models of the Ti II and Ni II systems which are used to investigate the physical condition of the filament and the excitation mechanisms of the observed lines. For the Ti II ion, for which no atomic data was previously available, we carry out ab initio calculations of radiative transition rates and electron impact excitation rate coefficients. It is found that the observed spectrum is consistent with the lines being excited in a mostly neutral region with an electron density of the order of 10(exp 7) per cubic centimeter and a temperature around 6000 K. In analyzing three observations with different slit orientations recorded between March 2000 and November 2001 we find line ratios that change among various observations, in a way consistent with changes of up to an order of magnitude in the strength of the continuum radiation field. These changes result from different samplings of the extended filament, due to the different slit orientations used for each observation, and yield clues on the spatial extent and optical depth of the filament. The observed emission indicates a large Ti/Ni abundance ratio relative to solar abundances. It is suggested that the observed high Ti/Ni ratio in gas is caused by dust-gas fractionation processes and does not reflect the absolute Ti/Ni ratio in the ejecta of eta Carinae. We study the condensation chemistry of Ti, Ni and Fe within the filament and suggest that the observed gas phase overabundance of Ti is likely the result of selective photo-evaporation of Ti-bearing grains. Some mechanisms for such a scenario are proposed.

Bautista, M. A.↗