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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Correlation of EBIC and SWBXT Imaged Defects and Epilayer Growth Pits in 6H-SiC Schottky Diodes

We show the first direct experimental correlation between the presence of closed core screw dislocations in 6H-SiC epilayers with recombination centers, as well as with some of the small growth pits on the epilayer surface in lightly-doped 6H-SiC Schottky diodes. At every Synchrotron White-Beam X-ray Topography (SWBXT)-identified closed core screw dislocation, an Electron Beam Induced Current (EBIC) image showed a dark spot indicating a recombination center, and Nomarski optical microscope and Atomic Force Microscope (AFM) images showed a corresponding small growth pit with a sharp apex on the surface of the epilayer.

Schnable, C. M.↗
DOE OSTI2020

High-Temperature Nucleation of GaP on V-Grooved Si

The use of nanopatterned {111}-faceted v-grooves has recently shown promise for growing high-quality III–V material on Si. Here, we study the effect of reactor conditions and surface pretreatments on the nucleation of GaP on v-grooved Si in a high-temperature regime, which offers the promise of a defect-free GaP/Si interface favorable for Si passivation and dislocation glide in the GaP. X-ray photoelectron spectroscopy was used to understand the Si surface chemistry prior to nucleation, and transmission electron microscopy was used to probe material quality of the nuclei. Temperature and V/III ratio were found to control the facet selectivity of nucleation. We demonstrate a condition of high temperature and high V–III ratio that leads to uniform nucleation at the bottom of the trenches, with initial material free of nucleation-related interfacial defects. This optimized condition was then shown to coalesce into a thin film after additional growth.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The effect of secondary phases on microstructure and irradiation damage in an as-built additively manufactured 316 L stainless steel with a hafnium compositional gradient

Additive manufacturing (AM) or rapid prototyping has become a crucial tool for reducing both cost and time while increasing efficiency in qualifying structural materials for reactor use. In this study, directed energy deposition (DED) was used to develop an as-built 316 L stainless steel sample with three regions of increasing Hf-dopant to study the effects of Hf on the irradiation response of the material. Morphological and microstructural changes were analyzed before and after 2 MeV proton irradiation at 360 °C to a damage of 2.5 dpa at ~ 10 µm below the surface. The addition of Hf effectively suppressed radiation-induced damage (dislocation loops, radiation-induced segregation) due to enhanced point defect recombination. The radiation damage seen in the as-built sample was further compared to a thermo-mechanically treated counterpart of the same fabrication and irradiation parameters which was found to behave superiorly. In conclusion, the increased radiation resistance of this material may be attributed to the as-built microstructure, which includes undissolved Hf particles, delta ferrite grains and cellular sub-grain boundaries that can hinder defect motion.

316L Stainless Steel↗
NASA NTRS1992

Fracture mechanics; Proceedings of the 22nd National Symposium, Atlanta, GA, June 26-28, 1990. Vols. 1 & 2

Current research on fracture mechanics is reviewed, focusing on ductile fracture; high-temperature and time-dependent fracture; 3D problems; interface fracture; microstructural aspects of fatigue and fracture; and fracture predictions and applications. Particular attention is given to the determination and comparison of crack resistance curves from wide plates and fracture mechanics specimens; a relationship between R-curves in contained and uncontained yield; the creep crack growth behavior of titanium alloy Ti-6242; a crack growth response in three heat resistant materials at elevated temperature; a crack-surface-contact model for determining effective-stress-intensity factors; interfacial dislocations in anisotropic bimaterials; an effect of intergranular crack branching on fracture toughness evaluation; the fracture toughness behavior of exservice chromium-molybdenum steels; the application of fracture mechanics to assess the significance of proof loading; and a load ratio method for estimating crack extension.

Ernst, Hugo A.↗
DOE OSTI2021

High-efficiency transmission-mode diamond scintillator for quantitative characterization of X-ray beams

The luminance of a transmission mode X-ray scintillator diamond plate is dominated by induced defect centers having an excited state lifetime less than 10 msec, and in embodiments less than 1 msec, 100 usec, 10 used, 1 used, 100 nsec, or even 50 nsec, thereby providing enhanced X-ray luminance response and an X-ray flux dynamic range that is linear with X-ray flux on a log-log scale over at least three orders of magnitude. The diamond plate can be a single crystal having a dislocation density of less than 104 per square centimeter, and having surfaces that are ion milled instead of mechanically polished. The defect centers can be SiV centers induced by silicon doping during CVD diamond formation, and/or NV0 centers formed by nitrogen doping followed by applying electron beam irradiation of the diamond plate and annealing.

Antipov, Sergey↗
DOE OSTI2021

Challenges of relaxed n -type GaP on Si and strategies to enable low threading dislocation density

We directly show that doping type strongly affects the threading dislocation density (TDD) of relaxed GaP on Si, with n-type GaP having a TDD of ~3.1 × 10 7 cm -2 , nearly 30× higher than both p-type and unintentionally doped GaP at ~1.1 × 10 6 cm -2 . Such a high TDD is undesirable since n-GaP on Si serves as the starting point for the growth of epitaxial III-V/Si multi-junction solar cells. After highlighting additional challenges for highly n-doped GaP on Si including increased surface roughness, anisotropic strain relaxation, and inhomogeneous TDD distributions from blocking of the dislocation glide, we go on to show that the TDD of n-GaP on Si rises by 10× as the doping concentration increases from ~5 × 10 16 to ~2 × 10 18 cm -3 . Next, we investigate the effects of additional dopant choices on the TDD, determining that electronic effects dominate over solute effects on the dislocation velocity at these concentrations. Finally, we demonstrate the respective roles of compressively strained superlattices, low-temperature initiation, and lowered n-type doping concentration on reducing the TDD for n-GaP on Si. By combining all three, we attain relaxed n-GaP on Si with a TDD of 1.54(±0.20) × 10 6 cm -2 , approaching parity with p-GaP on Si. Such high-quality n-GaP on Si will play an important role in boosting the efficiency of epitaxial III-V/Si multi-junction solar cells.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Correlation of Early-Stage Growth Process Conditions with Dislocation Evolution in MOCVD-Based GaP/Si Heteroepitaxy

To identify the complex relationships between early-stage growth processes and the resultant defect microstructure in GaP/Si heteroepitaxy, a holistic study of several key metal-organic chemical vapor deposition (MOCVD) parameters was conducted, focusing on Si surface preparation and GaP atomic layer epitaxy (ALE) based nucleation processes. Here, crystalline defects related to the lattice mismatch and/or interfacial heterovalency, namely misfit dislocations (MD), threading dislocations (TD), and stacking fault pyramids (SFP), were quantitatively characterized via electron channeling contrast imaging (ECCI) and correlated against the different process variations. Choice of Si surface preparation method between the two examined (dilute SiH4 annealing versus Si2H6 based homoepitaxy) had little impact on resultant GaP film morphology and defect content, whereas differing GaP ALE nucleation conditions produced much more substantial changes. In particular, the initial precursor species (tert-butylphosphine versus triethygallium) and ALE cycle purge times both yielded significant influence over threading dislocation densities (TDD) in thin (100 nm), post-critical thickness GaP/Si films, with TDD spanning two orders of magnitude, from 6.7×10 7 cm -2 to 7.1×10 5 cm -2 , depending on the specific process conditions employed. SFP densities were also found to follow a similar trend, ranging from 2.0×10 7 cm -2 to 1.8×10 5 cm -2 , but with no apparent causal relationship between SFP density and TDD. To help explain the dramatic differences observed, detailed, large-area MD network characterization was used to provide statistically-relevant quantitative analyses of the critical dislocation dynamics (introduction rates and glide velocities) associated with the different process variants. These extracted values are then correlated against the ALE process variants to provide insight into the potential mechanistic roles of the different growth processes.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Formation and dissociation of shear-induced high-energy dislocations: insight from molecular dynamics simulations

Solid-phase processing (SPP) allows one to create complex microstructures, not achievable via thermal processing alone. The resulting structures exhibit a rich palette of defects, both thermal and non-thermal, including defect substructures, such as dislocation networks. It is essential to understand the mechanisms of deformation and defect structure formation to guide SPP towards achieving desired microstructures and material properties. In this study, large-scale molecular dynamics simulations are used to investigate the effects of inhomogeneous strain distribution, that mimics deformation conditions of tribological tests, on the evolution of defects under severe shear deformation in polycrystalline Al. Analysis of defect nucleation and reaction pathways reveals that strong geometric constraints suppress the nucleation and slide of low energy dislocation 1/2$\langle110\rangle${111} but promote the nucleation and slide of high energy dislocations, such as [$1\bar1$0] (001) and 1/2 [$1\bar1$$\bar2$]($1\bar1$1). Further, a rough contact surface, characteristic to tribological tests, imposes an inhomogeneous stress field leading to inhomogeneous defect substructures due to location-dependent activation of slip systems. The results suggest that high-energy dislocations can dominate the evolution of grain structures in highly constrained environments, which should be considered in modeling plastic deformation and grain refinement during SPP.

42 ENGINEERING↗
NASA NTRS1996

Silicon Carbide Epitaxial Films Studied by Atomic Force Microscopy

Silicon carbide (SiC) holds great potential as an electronic material because of its wide band gap energy, high breakdown electric field, thermal stability, and resistance to radiation damage. Possible aerospace applications of high-temperature, high-power, or high-radiation SiC electronic devices include sensors, control electronics, and power electronics that can operate at temperatures up to 600 C and beyond. Commercially available SiC devices now include blue light-emitting diodes (LED's) and high-voltage diodes for operation up to 350 C, with other devices under development. At present, morphological defects in epitaxially grown SiC films limit their use in device applications. Research geared toward reducing the number of structural inhomogeneities can benefit from an understanding of the type and nature of problems that cause defects. The Atomic Force Microscope (AFM) has proven to be a useful tool in characterizing defects present on the surface of SiC epitaxial films. The in-house High-Temperature Integrated Electronics and Sensors (HTIES) Program at the NASA Lewis Research Center not only extended the dopant concentration range achievable in epitaxial SiC films, but it reduced the concentration of some types of defects. Advanced structural characterization using the AFM was warranted to identify the type and structure of the remaining film defects and morphological inhomogeneities. The AFM can give quantitative information on surface topography down to molecular scales. Acquired, in part, in support of the Advanced High Temperature Engine Materials Technology Program (HITEMP), the AFM had been used previously to detect partial fiber debonding in composite material cross sections. Atomic force microscopy examination of epitaxial SiC film surfaces revealed molecular-scale details of some unwanted surface features. Growth pits propagating from defects in the substrate, and hillocks due, presumably, to existing screw dislocations in the substrates, were imaged. Away from local defects, step bunching was observed to yield step heights of hundreds of angstroms, with possible implications for the uniformity of dopants incorporated in SiC devices during fabrication. The quantitative topographic data from the AFM allow the relevant defect information to be extracted, such as the size and distribution of step bunching and the Burgers vector of screw dislocations. These atomic force microscopy results have furthered the understanding of the dynamic epitaxial SiC growth process. A model describing the observed hillock step bunching has been proposed. This cooperation between researchers involved in crystal growth, electronic device fabrication, and surface structural characterization is likely to continue as atomic force microscopy is used to improve SiC films for high-temperature electronic devices for NASA's advanced turbine engines and space power devices, as well as for future applications in the automotive industry.

Source record↗
DOE OSTI2023

Origins of epitaxial macro-terraces and macro-steps on GaN substrates

Localized lattice distortions in GaN substrates can serve as nucleation sites for epitaxial macro-steps and macro-terraces. These detrimental macro-scale features give rise to optically hazy homoepitaxial GaN surfaces. After nucleating, these macro-features grow laterally along the surface and coalesce, leading to significant coverage of the wafer surface. Dot-core GaN substrates consisting of a periodic array of cores were used as a defect-engineered system, where dislocations are intentionally concentrated at the cores. The high density of threading dislocations at the cores induced localized lattice distortions. Here, these distortions are associated predominantly with lattice tilt on the order of hundreds of arcsec across ~0.5 mm laterally along the wafer surface. The resulting macro-features that nucleated at these localized distorted sites were made up of macro-terraces with lengths ranging ~30–~150 μm and macro-step heights ranging ~200–~400 nm. Another source of localized distortion was threading screw dislocations or GaN nanopipes that resulted in spiral growth and hillock formation. Based on x-ray topography and optical microscopy measurements, we speculate that the coalescence of hillocks evolves into macro-terraces and macro-steps. While previous studies focused on the substrate miscut as a means to control macro-feature formation, we show that localized lattice tilt from defects is another important contributor to macro-feature formation.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A spall and diffraction study of nanosecond pressure release across the iron ε-α phase boundary

The extreme response of polycrystalline iron at high pressures and high strain rates is revealed by means of high-power laser pulses. The compression portion of the pulse coupled with x-ray diffraction identifies the expected body-centered cubic (α) to hexagonal close packed (ε) displacive transformation. Upon release, observation shows that the complete reverse transformation takes approximately 8 ns and that the structure returns to its initial microstructural configuration, in a reversible transformation path. This is in good agreement with molecular dynamics (MD) simulations which predict an inverse dependence between transformation time and strain rate. The grain size is reduced from μm to nm range during compression and begins increasing back to the original grain size on decompression. The kinetics of the transition is dictated by heterogenous nucleation as it follows the Johnson-Mehl-Avrami-Kolmogorov equation with the appropriate time exponent of ~1. This is confirmed by MD simulations which also identify profuse twinning and dislocation generation. Here, the tensile pulse generated upon reflection at the free surface is captured by time-resolved free surface velocity measurements from which a peak tensile stress of 7 GPa is obtained, in stark contrast with its quasi-static value of ~200 MPa. At these strain rates, the strength of grain interiors, which is determined by twinning and slip exceeds the strength of the boundaries, and failure initiates preferentially in the latter.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Growth mechanisms of large, faceted crystals grown from solutions

Here, the paper describes optical techniques and methods used to study growth mechanisms and phenomena occurring on multiple faces of real bulk crystals grown from aqueous and organic solutions. Using examples of ionic KDP and molecular trans-stilbene crystals, it shows how in-situ and ex-situ surface observations can be applied to identify growth structures characteristic for the dislocation, two-dimensional (2D), and 3D cluster deposition mechanisms. Results are analyzed and applied to understanding of defects origins and methods for their elimination in practical growth of large, high optical quality crystals.

2D growth mechanism↗
NASA NTRS1993

Morphological instability in epitaxially strained dislocation-free solid films - Linear stability theory

The morphological instability of a growing epitaxially strained dislocation-free solid film is analyzed. An evolution equation for the film surface is derived in the dilute limit of vacancies based on surface diffusion driven by a stress-dependent chemical potential. From the time-dependent linear stability problem the conditions for which a growing film is unstable are determined. It is found that the instability is driven by the lattice mismatch between the film and the substrate; however, low temperatures as well as elastically stiff substrates are stabilizing influences. The results also reveal that the critical film thickness for instability depends on the growth rate of the film itself. Detailed comparison with experimental observations indicates that the instability described exhibits many of the observed features of the onset of the 'island instability'.

Spencer, B. J.↗
DOE OSTI2023

Interaction of extended dislocations with nanovoid clusters

Voids of nanoscale dimensions in irradiated metals can act as obstacles to dislocation motion and cause strengthening. In this work, nanovoid strengthening and the influences of void size, void spacing and material properties, such as stacking fault energies, on dislocation bypass mechanisms are investigated using Phase Field Dislocation Dynamics, a three-dimensional mesoscale model that predicts the minimum energy pathway taken by discrete dislocations. A broad range of face centered cubic metals (copper, nickel, silver, rhodium, and platinum) and nanovoid sizes and spacings are treated, altogether spanning void size–to–dislocation stacking fault width ratios from less than unity to ten. Material γ-surfaces, calculated from ab initio methods, are input directly into the formulation. The analysis reveals that the critical bypass stress scales linearly with the linear void fraction, effective isotropic shear modulus, and ratio of the intrinsic to unstable stacking fault energies. With only a few exceptions, the critical stress is controlled by the stress required for the leading partial to impinge the voids (to move within range of the attractive image stress field of the void). When the void diameter is nearly an order of magnitude greater than the stacking fault width, the mechanism determining critical strength shifts to the stress for the dislocation to breakaway after partially cutting the void. Furthermore, this situation corresponds to that treated by line tension models and is realized here for Pt, with a sub-nanometer stacking fault width.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Material migration in W and Mo during bubble growth and fuzz formation

Growth of helium (He) induced bubbles and fuzz in tungsten (W) and molybdenum (Mo) is investigated using samples of W films on Mo substrates and Mo films on W substrates exposed to He-containing plasma in the temperature range of 340 to 1075 K, fluence range of 1.0–14 × 10 25 He·m -2 , and incident ion energy of <50 eV. No fuzz (only up to 2 nm diameter bubbles) and no material transport occur in W films at ≤750 K, while precursors-of or fully-developed fuzz and material mixing occur in W and Mo films at ≥800 K. This suggests that fuzz forms in multi-material systems as long as one material meets the conditions for fuzz formation, namely T s / T m ~ 0.27–0.5 where T s and T m are the sample exposure and material melting temperatures, respectively. Larger He bubbles, more material mixing, and further-developed fuzz occur at higher temperature due to increased mobility of He atoms and small He clusters. Accumulation of substrate material at the surface of fuzzy W and Mo thin-film (<80 nm) samples suggests fuzz growth by material transport from the bubble layer in the bulk up to the fiber tip, likely by a two-step process: (i) diffusion of punched dislocation loops in the bulk toward the fuzz base and (ii) diffusion of adatoms along the fuzz base and fiber surface (with effective transport of adatoms upwards due to trapping of adatoms at curved surfaces of fiber tips and/or due to the continuous generation of adatoms at the fuzz base). While the bubble size and fuzz thickness increase with reduced W concentration in Mo thin-film samples at 838 K likely due to an increase in trap mutation and dislocation loop punching in Mo compared to W, the fuzz thickness decreases with reduced W concentration at 1075 K despite an increase in the bubble size likely due to slower diffusion of interstitial loops in Mo.

Physics↗
DOE OSTI2026

Defect formation and transmutation behaviors in irradiated tungsten under thermal-neutron shielded and mixed spectrum conditions

Here, this study investigates the microstructural evolution of pure tungsten irradiated under thermal-neutron shielded and mixed spectrum conditions in the High Flux Isotope Reactor (HFIR). Four samples were irradiated at temperatures from 570 °C to 1130 °C up to 0.73 dpa. Neutron spectrum significantly influenced the accumulation of transmutation products, with Re+Os content estimated at ∼0.3–0.6% under thermal-neutron shielded conditions and ∼5.2% under the mixed spectrum condition. Irradiation temperature strongly influences tungsten’s microstructure, with dislocation loops and fine voids forming at lower temperatures and only larger voids and Re/Os segregation observed at higher temperature. Under thermal-neutron shielded conditions, dislocation loops and voids were observed at 570 °C and 790 °C. At the highest irradiation temperature (1130 °C), dislocation loops were no longer observed, while larger but less dense voids remained. Re and Os segregation to void surfaces was evident at 790 °C and 1130 °C, though no precipitation was observed. In contrast, under the mixed-spectrum condition, both spherical and needle-like Re/Os-rich precipitates were observed, frequently accompanied by large voids. Dislocation loops were not observed, but loop-like contrast within the precipitates suggests they may have nucleated on pre-existing loops. Irradiation-induced hardening was assessed for the shielded samples at 570 °C and 790 °C. Dispersed barrier hardening (DBH) analysis, based on TEM-resolved defects, revealed that voids were the dominant contributors to hardening, consistent with literature results. A schematic model is proposed to describe defect and precipitate evolution in tungsten under fusion-relevant transmutation-to-dpa conditions.

Dislocation loops↗
DOE OSTI2021

Atomistic processes of surface-diffusion-induced abnormal softening in nanoscale metallic crystals

Abstract Ultrahigh surface-to-volume ratio in nanoscale materials, could dramatically facilitate mass transport, leading to surface-mediated diffusion similar to Coble-type creep in polycrystalline materials. Unfortunately, the Coble creep is just a conceptual model, and the associated physical mechanisms of mass transport have never been revealed at atomic scale. Akin to the ambiguities in Coble creep, atomic surface diffusion in nanoscale crystals remains largely unclear, especially when mediating yielding and plastic flow. Here, by using in situ nanomechanical testing under high-resolution transmission electron microscope, we find that the diffusion-assisted dislocation nucleation induces the transition from a normal to an inverse Hall-Petch-like relation of the strength-size dependence and the surface-creep leads to the abnormal softening in flow stress with the reduction in size of nanoscale silver, contrary to the classical “alternating dislocation starvation” behavior in nanoscale platinum. This work provides insights into the atomic-scale mechanisms of diffusion-mediated deformation in nanoscale materials, and impact on the design for ultrasmall-sized nanomechanical devices.

36 MATERIALS SCIENCE↗
NASA NTRS1989

The effect of hydrogen on the deformation behavior of a single crystal nickel-base superalloy

The effect of hydrogen on the tensile deformation behavior of PWA 1480 is presented. Tensile tests were interrupted at different plastic strain levels to observe the development of the dislocation structure. Transmission electron microscopy (TEM) foils were cut perpendicular to the tensile axis to allow the deformation of both phases to be simultaneously observed as well as parallel to zone axes (III) to show the superdislocations on their slip planes. Similar to other nickel-base superalloys, hydrogen was detrimental to the room temperature tensile properties of PWA 1480. There was little effect on strength, however the material was severely embrittled. Even without hydrogen, the elongation-to-failure was only approximately 3 percent. The tensile fracture surface was made up primarily of ductile voids with regions of cleavage fracture. These cleavage facets are the eutectic (gamma') in the microstructure. It was shown by quantitative fractography that hydrogen embrittles the eutectic (gamma') and causes the crack path to seek out and fracture through the eutectic (gamma'). There was two to three times the amount of cleavage on the fracture surface of the hydrogen-charged samples than on the surface of the uncharged samples. The effect of hydrogen can also be seen in the dislocation structure. There is a marked tendency for dislocation trapping in the gamma matrix with and without hydrogen at all plastic strain levels. Without hydrogen there is a high dislocation density in the gamma matrix leading to strain exhaustion in this region and failure through the matrix. The dislocation structure at failure with hydrogen is slightly different. The TEM foils cut parallel to zone axes (III) showed dislocations wrapping around gamma precipitates. Zone axes (001) foils show that there is a lower dislocation density in the gamma matrix which can be linked to the effects of hydrogen on the fracture behavior. The primary activity in the gamma precipitates is in the form of superlattice intrinsic stacking faults (SISFs). These faults have also been reported in other ordered alloys and superalloys.

Walston, W. S.↗