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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Quasi in-situ analysis of geometrically necessary dislocation density in α-fibre and γ-fibre during static recrystallization in cold-rolled low-carbon Ti-V bearing microalloyed steel

Highlights: • Average GND density is higher in gamma fibre than alpha fibre. • Higher drop in average GND density in un-recrystallized portion of gamma fibre • Fine precipitates pin the grain boundary at 700 °C 0 s. • Precipitates are coarse at 800 °C and present inside strain-free grains. - Abstract: In the present study, cold-rolled low-carbon steel is annealed at three different conditions: 700 °C for 0 s, 800 °C for 0 s and 800 °C for 2 min at the heating rate of ~10 °C/s. Recrystallization behaviour on sample surface is studied using a heated stage Scanning Electron Microscopy and Electron Backscattered Diffraction. For the lower annealing temperature of 700 °C with no dwell, almost no recrystallization is observed and microstructure resembles the as-received deformed material with the exception of occasional sub-micron sized nuclei. For the annealing conditions of 800 °C 0 s and 800 °C 2 min, onset and evolution of recrystallization is observed in-situ as a function of the initial as-cold rolled texture. Slower recovery rate of alpha fibre than gamma fibre is observed and confirmed by lower drop in average geometrically necessary dislocation (GND) density for un-recrystallized alpha fibres (1.1E+14 m{sup −2} for 700 °C 0 s, 1.4E+14 m{sup −2} for 800 °C 0 s and 4.5E+14 m{sup −2} for 800 °C 2 min) than for un-recrystallized gamma fibre grains (3.0E+14 m{sup −2} for 700 °C 0 s, 6.2E+14 m{sup −2} for 800 °C 0 s and 9.8E+14 m{sup −2} for 800 °C 2 min) during annealing. Strong gamma texture in recrystallized matrix is found for annealing conditions of 800 °C 0 s and 800 °C 2 min. From TEM characterisation it was shown that sub-grain boundaries are decorated with fine precipitates (diameter d < 15 nm) of titanium‑vanadium carbides (Ti,V)C for the annealing condition of 700 °C 0 s, which suggests that these precipitates play a major overall role in retardation of the recrystallization kinetics.

36 MATERIALS SCIENCE↗
DOE OSTI2026

A simple Rice-Ashby ductile–brittle transition temperature (DBTT) model based on dislocation mobility for body-centered cubic complex concentrated alloys

A simple Rice-Ashby type model for ductile–brittle transition temperature (DBTT) of body-centered cubic (bcc) complex concentrated alloys (structures) is presented. The effect of accumulation of dislocation density on DBTT is also analyzed. The model results are compared with experimental yield stress vs. temperature data for four complex concentrated alloys: Nb 45 Ta 25 Ti 15 Hf 15 (NTTH), MoNbTaW, HfNbTaTiZr, NbTiZr and two pure bcc metals, Fe and W. It is shown that the DBTT behavior of these alloys and pure metals are in agreement with the simple ductility model presented in this manuscript. The DBTT model presented in this manuscript along with yield strength models for bcc complex concentrated alloys described in the literature should serve as a useful guide for designing such alloys with good high temperature strength and significant room temperature ductility.

Crack tip processes↗
DOE OSTI2021

Void growth via dislocation pileup impingement on grain boundary

In this work, the effect of edge dislocations, impinging on grain boundary in fcc Fe near a preexisting void on the volume of this void, was studied using MD simulation. It was found that virtually unlimited growth of the void via this mechanism is possible under certain conditions. To the best of our knowledge this is the first atomistic simulation study, demonstrating feasibility of this void growth mechanism.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Dislocation-Assisted Quasi-Two-Dimensional Semiconducting Nanochannels Embedded in Perovskite Thin Films

Defect engineering in perovskite thin films has attracted extensive attention recently due to the films’ atomic-scale modification, allowing for remarkable flexibility to design novel nanostructures for next generation nanodevices. However, the defect-assisted three-dimensional nanostructures in thin film matrices usually has large misfit strain and thus causes unstable thin film structures. In contrast, defect-assisted one- or two-dimensional nanostructures embedded in thin films can sustain large misfit strains without relaxation, which make them suitable for defect engineering in perovskite thin films. Here, we reported the fabrication and characterization of edge-type misfit dislocation-assisted two-dimensional BiMnO x nanochannels embedded in SrTiO 3 /La 0.7 Sr 0.3 MnO 3 /TbScO 3 perovskite thin films. The nanochannels are epitaxially grown from the surrounding films without noticeable misfit strain. Diode-like current rectification was spatially observed at nanochannels due to the formation of Schottky junctions between BiMnO x nanochannels and conducting La 0.7 Sr 0.3 MnO 3 thin films. Such atomically scaled heterostructures constitute more flexible ultimate functional units for nanoscale electronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2012

Excitation-Dependent Recombination and Diffusion Near an Isolated Dislocation in GaAs

In low-magnification, plan-view photoluminescence images of a nominally lattice-matched, undoped GaAs/GaInP heterostructure, we observe a random distribution of isolated dark spots. We attribute the dark spots to crystal dislocations, where nonradiative recombination is augmented by transitions utilizing defect-related energy levels between the conduction and valence bands. We note that, when the laser excitation intensity is reduced, the darkened regions expand. At lower excitation, the density of photogenerated electrons and holes is reduced, and they are more likely to reach the defective region before encountering a partner for radiative recombination. When we model the behavior with a simulation that allows for Laplacian diffusion and defect-related recombination only through mid-bandgap energy levels, we do not obtain good agreement between experimental and simulated images. But if we allow for an arbitrary distribution of defect levels, such that the occupation of the levels and bands can change independently, we have more flexibility for fitting the density-dependent recombination rates. The more sophisticated model produces results that are more consistent with experimental images.

14 SOLAR ENERGY↗
DOE OSTI2012

In-situ transmission electron microscopy of partial-dislocation glide in 4H-SiC under electron radiation

Electron-radiation-enhanced glide of 30 Degree-Sign -Si(g) partial dislocations bringing about an expansion/shrinkage of Shockley-type stacking faults in 4H-SiC was observed in-situ by transmission electron microscopy. Geometrical kinks on 30 Degree-Sign -Si(g) partials did not migrate in the dark, indicating that the kink migration is enhanced by electron irradiation. The direction of the enhanced glide was reversible depending on the irradiation intensity, which can be interpreted in terms of a sign reversal of the driving force originating in the effective stacking fault energy variable with the irradiation intensity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Reduced threading dislocation densities in high-T/N-rich grown InN films by plasma-assisted molecular beam epitaxy

We explore the effect of growth kinetics on the structural properties of In-polar InN films on GaN templates grown near the thermal dissociation limit by plasma-assisted molecular beam epitaxy. Unlike the common growth temperature limit (T Almost-Equal-To 500 Degree-Sign C) for In-polar InN grown under In-rich conditions, slightly N-rich conditions are demonstrated to shift the available growth temperature window to much higher temperatures (by >50 Degree-Sign C). InN films grown in this high-T/N-rich regime show significantly reduced off-axis X-ray diffraction rocking curve peak widths and record low threading dislocation densities (TDD {approx} 4 Multiplication-Sign 10{sup 9} cm{sup -2}) even for film thicknesses <1 {mu}m, as compared to state of the art In-rich growth. The reduction of TDD is attributed to more effective TD inclination and annihilation under N-rich growth, delineating prospective routes for improved InN-based materials.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Reliability of AlGaN/GaN high electron mobility transistors on low dislocation density bulk GaN substrate: Implications of surface step edges

To enable gaining insight into degradation mechanisms of AlGaN/GaN high electron mobility transistors, devices grown on a low-dislocation-density bulk-GaN substrate were studied. Gate leakage current and electroluminescence (EL) monitoring revealed a progressive appearance of EL spots during off-state stress which signify the generation of gate current leakage paths. Atomic force microscopy evidenced the formation of semiconductor surface pits at the failure location, which corresponds to the interaction region of the gate contact edge and the edges of surface steps.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Electrical properties of dislocations in III-Nitrides

Research on GaN, AlN, InN (III-N) and their alloys is achieving new heights due their high potential applications in photonics and electronics. III-N semiconductors are mostly grown epitaxially on sapphire, and due to the large lattice mismatch and the differences in the thermal expansion coefficients, the structures usually contain many threading dislocations (TDs). While their structural properties have been widely investigated, their electrical characteristics and their role in the transport properties of the devices are still debated. In the present contribution we will show conductive AFM studies of TDs in GaN and Al/In GaN ternary alloys to evidence the role of strain, different surface polarity and composition on their electrical properties. Local I-V curves measured at TDs allowed us to clarify their role in the macroscopic electrical properties (leakage current, mobilities) of III-N based devices. Samples obtained by different growers (AIXTRON, III-V Lab) were studied. The comparison between the results obtained in the different alloys allowed us to understand the role of In and Al on the TDs electrical properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Critical boron-doping levels for generation of dislocations in synthetic diamond

Defects induced by boron doping in diamond layers were studied by transmission electron microscopy. The existence of a critical boron doping level above which defects are generated is reported. This level is found to be dependent on the CH{sub 4}/H{sub 2} molar ratios and on growth directions. The critical boron concentration lied in the 6.5–17.0 × 10{sup 20}at/cm{sup 3} range in the 〈111〉 direction and at 3.2 × 10{sup 21 }at/cm{sup 3} for the 〈001〉 one. Strain related effects induced by the doping are shown not to be responsible. From the location of dislocations and their Burger vectors, a model is proposed, together with their generation mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Dislocations limited electronic transport in hydride vapour phase epitaxy grown GaN templates: A word of caution for the epitaxial growers

GaN templates grown by hydride vapour phase epitaxy (HVPE) and metal organic vapour phase epitaxy (MOVPE) techniques are compared through electronic transport measurements. Carrier concentration measured by Hall technique is about two orders larger than the values estimated by capacitance voltage method for HVPE templates. It is learnt that there exists a critical thickness of HVPE templates below which the transport properties of epitaxial layers grown on top of them are going to be severely limited by the density of charged dislocations lying at layer-substrate interface. On the contrary MOVPE grown templates are found to be free from such limitations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Influence of dislocations on indium diffusion in semi-polar InGaN/GaN heterostructures

The spatial distribution of indium composition in InGaN/GaN heterostructure is a critical topic for modulating the wavelength of light emitting diodes. In this letter, semi-polar InGaN/GaN heterostructure stripes were fabricated on patterned GaN/Sapphire substrates by epitaxial lateral overgrowth (ELO), and the spatial distribution of indium composition in the InGaN layer was characterized by using cathodoluminescence. It is found that the indium composition is mainly controlled by the diffusion behaviors of metal atoms (In and Ga) on the surface. The diffusivity of metal atoms decreases sharply as migrating to the region with a high density of dislocations and other defects, which influences the distribution of indium composition evidently. Our work is beneficial for the understanding of ELO process and the further development of InGaN/GaN heterostructure based devices.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Impact of varying buffer thickness generated strain and threading dislocations on the formation of plasma assisted MBE grown ultra-thin AlGaN/GaN heterostructure on silicon

Plasma-assisted molecular beam epitaxy (PAMBE) growth of ultra-thin Al{sub 0.2}Ga{sub 0.8}N/GaN heterostructures on Si(111) substrate with three buffer thickness (600 nm/400 nm/200 nm) have been reported. An unique growth process has been developed that supports lower temperature epitaxy of GaN buffer which minimizes thermally generated tensile strain through appropriate nitridation and AlN initiated epitaxy for achieving high quality GaN buffer which supports such ultra-thin heterostructures in the range of 10-15Å. It is followed by investigations of role of buffer thickness on formation of ultra-thin Al{sub 0.2}Ga{sub 0.8}N/GaN heterostructure, in terms of stress-strain and threading dislocation (TD). Structural characterization were performed by High-Resolution X-Ray Diffraction (HRXRD), room-temperature Photoluminescence (RT-PL), High Resolution Transmission Electron Microscopy (HRTEM) and Atomic Force Microscopy (AFM). Analysis revealed increasing biaxial tensile stress of 0.6918 ± 0.04, 1.1084, 1.1814 GPa in heterostructures with decreasing buffer thickness of 600, 400, 200 nm respectively which are summed up with residual tensile strain causing red-shift in RT-PL peak. Also, increasing buffer thickness drastically reduced TD density from the order 10{sup 10} cm{sup −2} to 10{sup 8} cm{sup −2}. Surface morphology through AFM leads to decrease of pits and root mean square value with increasing buffer thickness which are resulted due to reduction of combined effect of strain and TDs.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Direct evidence of single quantum dot emission from GaN islands formed at threading dislocations using nanoscale cathodoluminescence: A source of single photons in the ultraviolet

Intense emission from GaN islands embedded in AlN resulting from GaN/AlN quantum well growth is directly resolved by performing cathodoluminescence spectroscopy in a scanning transmission electron microscope. Line widths down to 440 μeV are measured in a wavelength region between 220 and 310 nm confirming quantum dot like electronic properties in the islands. These quantum dot states can be structurally correlated to islands of slightly enlarged thicknesses of the GaN/AlN quantum well layer preferentially formed in vicinity to dislocations. The quantum dot states exhibit single photon emission in Hanbury Brown-Twiss experiments with a clear antibunching in the second order correlation function at zero time delay.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Change in equilibrium position of misfit dislocations at the GaN/sapphire interface by Si-ion implantation into sapphire. II. Electron energy loss spectroscopic study

In Part I, we have shown that the addition of Si into sapphire by ion implantationmakes the sapphire substrate elastically softer than for the undoped sapphire. The more compliant layer of the Si-implanted sapphire substrate can absorb the misfit stress at the GaN/sapphire interface, which produces a lower threading-dislocation density in the GaN overlayer. Here in Part II, based on experimental results by electron energy loss spectroscopy and a first-principle molecular orbital calculation in the literature, we suggest that the softening effect of Si results from a reduction of ionic bonding strength in sapphire (α-Al{sub 2}O{sub 3}) with the substitution of Si for Al.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Filamentation of an annular laser beam with a vortex phase dislocation in fused silica

The filamentation of a femtosecond laser pulse in fused silica has been numerically investigated for the case of an annular beam with a phase singularity at a wavelength of 800 nm. The spatiotemporal propagation dynamics of the pulse and the transformation of its frequency-angular spectra are analysed. It is shown that a tubular structure with a radius of 3−4 μm, peak intensity of about 2.4×10{sup 13} W cm{sup −2}, and maximum plasma density on the order of 10{sup 20} cm{sup −3} is formed in the nonlinear focus; the length of this structure significantly exceeds the waist length in the linear case. The results of the analysis are compared with the data obtained for an annular beam free of phase dislocations and for a Gaussian beam. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Evolution of dislocation substructures in metals via high-strain-rate nanoindentation

Deformation at high strain rates often results in high stresses on many engineering materials, potentially leading to catastrophic failure without proper design. High-strain-rate mechanical testing is thus needed to improve the design of future structural materials for a wide range of applications. Although several high-strain-rate mechanical testing techniques have been developed to provide a fundamental understanding of material responses and microstructural evolution under high-strain-rate deformation conditions, these tests are often very time consuming and costly. In this work, we utilize a high-strain-rate nanoindentation testing technique and system in combination with transmission electron microscopy to reveal the deformation mechanisms and dislocation substructures that evolve in pure metals from low (10 –2 s –1 ) to very high indentation strain rates (10 4 s –1 ), using face-centered cubic aluminum and body-centered cubic molybdenum as model materials. The results help to establish the conditions under which micro- and macro-scale tests can be compared with validity and also provide a promising pathway that could lead to accelerated high-strain-rate testing at substantially reduced costs.

36 MATERIALS SCIENCE↗
DOE OSTI2019

GPU-accelerated dislocation dynamics using subcycling time-integration

Discrete dislocation dynamics (DDD) simulations are being increasingly employed to investigate metal plasticity at the mesoscale. However, in spite of its ability to access beyond the length and time limits of atomistic methods, the DDD model is still limited by its high computational cost, with ranges of achievable strains too low and strain rates too high by several orders of magnitude compared with typical experimental conditions. By combining the efficiency of the recently developed subcycling time-integrator with the highly parallel architecture of graphics processing unit (GPU) devices, we developed a DDD model that provides significant acceleration compared to existing implementations. Our GPU-accelerated implementation enables large-scale DDD simulations that can reach relevant levels of strain using a moderate amount of computational resources.

36 MATERIALS SCIENCE↗